USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 121:sc= 1.25 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.1 USER MOD Set 2.1: A 22 THR OG1 : rot -67:sc= 1.41 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.61 K(o=3,f=-5.6!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 141:sc= 0.923 (180deg=-0.276) USER MOD Set 3.2: A 12 THR OG1 : rot 140:sc= 0.805 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 2.35 (180deg=2.07) USER MOD Single : A 2 GLN : amide:sc= 0.206 K(o=0.21,f=-1.8) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 145:sc= 1.19 (180deg=-0.0559!) USER MOD Single : A 14 THR OG1 : rot -96:sc= 0.246 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 1.93 (180deg=1.34) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.32) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= -0.159 (180deg=-0.631) USER MOD Single : A 40 GLN : amide:sc= 0.131 K(o=0.13,f=-0.76) USER MOD Single : A 41 GLN : amide:sc= 1.16 K(o=1.2,f=-5.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.043) USER MOD Single : A 59 TYR OH : rot 110:sc= 0.168 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00352 X(o=-0.0035,f=-0.045) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 111:sc= 1.2 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0291 X(o=-0.029,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.907 -7.186 -5.463 1.00 9.67 N ATOM 2 CA MET A 1 10.899 -7.709 -4.010 1.00 10.38 C ATOM 3 C MET A 1 9.541 -7.833 -3.398 1.00 9.62 C ATOM 4 O MET A 1 8.599 -7.135 -3.867 1.00 9.62 O ATOM 5 CB MET A 1 11.738 -6.742 -3.130 1.00 13.77 C ATOM 6 CG MET A 1 11.136 -5.305 -3.027 1.00 16.29 C ATOM 7 SD MET A 1 12.237 -4.182 -2.265 1.00 17.17 S ATOM 8 CE MET A 1 11.228 -2.686 -2.260 1.00 16.11 C ATOM 0 H1 MET A 1 11.840 -6.782 -5.682 1.00 9.67 H new ATOM 0 H2 MET A 1 10.708 -7.971 -6.116 1.00 9.67 H new ATOM 0 H3 MET A 1 10.178 -6.452 -5.572 1.00 9.67 H new ATOM 0 HA MET A 1 11.315 -8.716 -4.050 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.827 -7.162 -2.128 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.746 -6.676 -3.539 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.886 -4.945 -4.025 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.206 -5.342 -2.459 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.789 -1.870 -1.804 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.968 -2.419 -3.284 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.317 -2.864 -1.689 1.00 16.11 H new ATOM 20 N GLN A 2 9.368 -8.630 -2.309 1.00 9.27 N ATOM 21 CA GLN A 2 8.036 -8.877 -1.683 1.00 9.07 C ATOM 22 C GLN A 2 7.727 -7.856 -0.558 1.00 8.72 C ATOM 23 O GLN A 2 8.610 -7.398 0.147 1.00 8.22 O ATOM 24 CB GLN A 2 8.045 -10.302 -1.033 1.00 14.46 C ATOM 25 CG GLN A 2 8.216 -11.502 -1.970 1.00 17.01 C ATOM 26 CD GLN A 2 6.900 -11.856 -2.658 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.077 -12.625 -2.210 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.747 -11.205 -3.828 1.00 19.49 N ATOM 0 H GLN A 2 10.136 -9.114 -1.844 1.00 9.27 H new ATOM 0 HA GLN A 2 7.280 -8.784 -2.463 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.849 -10.332 -0.297 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.109 -10.430 -0.489 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.973 -11.276 -2.721 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.576 -12.361 -1.404 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.473 -10.569 -4.156 1.00 19.49 H new ATOM 0 HE22 GLN A 2 5.905 -11.349 -4.385 1.00 19.49 H new ATOM 37 N ILE A 3 6.439 -7.433 -0.385 1.00 5.87 N ATOM 38 CA ILE A 3 6.059 -6.573 0.707 1.00 5.07 C ATOM 39 C ILE A 3 4.696 -7.053 1.292 1.00 4.01 C ATOM 40 O ILE A 3 3.936 -7.695 0.561 1.00 4.61 O ATOM 41 CB ILE A 3 5.812 -5.102 0.361 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.873 -4.908 -0.869 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.200 -4.419 0.241 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.350 -3.479 -0.998 1.00 10.83 C ATOM 0 H ILE A 3 5.670 -7.690 -1.003 1.00 5.87 H new ATOM 0 HA ILE A 3 6.914 -6.635 1.381 1.00 5.07 H new ATOM 0 HB ILE A 3 5.249 -4.611 1.155 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.413 -5.175 -1.777 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.029 -5.592 -0.787 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.067 -3.366 -0.006 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.731 -4.506 1.189 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.778 -4.905 -0.545 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.703 -3.406 -1.872 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.784 -3.217 -0.104 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.190 -2.793 -1.110 1.00 10.83 H new ATOM 56 N PHE A 4 4.359 -6.733 2.531 1.00 4.55 N ATOM 57 CA PHE A 4 3.245 -7.405 3.221 1.00 4.68 C ATOM 58 C PHE A 4 2.234 -6.391 3.687 1.00 5.30 C ATOM 59 O PHE A 4 2.605 -5.491 4.364 1.00 5.58 O ATOM 60 CB PHE A 4 3.753 -8.216 4.488 1.00 4.83 C ATOM 61 CG PHE A 4 4.592 -9.385 4.161 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.973 -10.600 3.850 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.047 -9.320 4.262 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.741 -11.724 3.691 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.777 -10.474 4.048 1.00 10.61 C ATOM 66 CZ PHE A 4 6.156 -11.636 3.796 1.00 8.90 C ATOM 0 H PHE A 4 4.831 -6.018 3.085 1.00 4.55 H new ATOM 0 HA PHE A 4 2.793 -8.095 2.509 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.321 -7.544 5.132 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.889 -8.552 5.061 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.900 -10.652 3.736 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.542 -8.390 4.499 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.272 -12.675 3.486 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.856 -10.440 4.084 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.748 -12.530 3.669 1.00 8.90 H new ATOM 76 N VAL A 5 0.982 -6.630 3.420 1.00 4.44 N ATOM 77 CA VAL A 5 0.009 -5.603 3.627 1.00 3.87 C ATOM 78 C VAL A 5 -1.216 -6.172 4.353 1.00 4.93 C ATOM 79 O VAL A 5 -1.679 -7.231 3.948 1.00 6.84 O ATOM 80 CB VAL A 5 -0.466 -5.018 2.333 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.310 -3.764 2.604 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.616 -4.706 1.301 1.00 9.13 C ATOM 0 H VAL A 5 0.617 -7.514 3.064 1.00 4.44 H new ATOM 0 HA VAL A 5 0.492 -4.828 4.221 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.062 -5.808 1.876 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.652 -3.344 1.658 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.172 -4.031 3.215 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.706 -3.026 3.131 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.155 -4.287 0.406 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.320 -3.985 1.718 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.146 -5.622 1.041 1.00 9.13 H new ATOM 92 N LYS A 6 -1.596 -5.570 5.494 1.00 6.04 N ATOM 93 CA LYS A 6 -2.568 -6.148 6.434 1.00 6.12 C ATOM 94 C LYS A 6 -3.883 -5.398 6.473 1.00 6.57 C ATOM 95 O LYS A 6 -3.923 -4.198 6.576 1.00 5.76 O ATOM 96 CB LYS A 6 -1.874 -6.098 7.820 1.00 7.45 C ATOM 97 CG LYS A 6 -0.688 -7.024 7.845 1.00 11.12 C ATOM 98 CD LYS A 6 -0.211 -7.238 9.321 1.00 14.54 C ATOM 99 CE LYS A 6 0.994 -8.231 9.498 1.00 18.84 C ATOM 100 NZ LYS A 6 0.614 -9.616 9.096 1.00 20.55 N ATOM 0 H LYS A 6 -1.234 -4.663 5.790 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.832 -7.160 6.126 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.553 -5.079 8.037 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.582 -6.382 8.599 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.954 -7.981 7.397 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.123 -6.607 7.248 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.071 -6.271 9.738 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.053 -7.605 9.908 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.838 -7.894 8.897 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.322 -8.228 10.538 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.409 -10.063 8.596 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.381 -10.172 9.944 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.214 -9.580 8.467 1.00 20.55 H new ATOM 114 N THR A 7 -5.037 -6.095 6.374 1.00 7.41 N ATOM 115 CA THR A 7 -6.381 -5.454 6.400 1.00 7.48 C ATOM 116 C THR A 7 -7.187 -6.095 7.533 1.00 8.75 C ATOM 117 O THR A 7 -7.000 -7.260 7.864 1.00 8.58 O ATOM 118 CB THR A 7 -6.988 -5.452 5.053 1.00 9.61 C ATOM 119 OG1 THR A 7 -8.337 -4.943 5.069 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.977 -6.881 4.404 1.00 9.17 C ATOM 0 H THR A 7 -5.069 -7.110 6.274 1.00 7.41 H new ATOM 0 HA THR A 7 -6.337 -4.391 6.637 1.00 7.48 H new ATOM 0 HB THR A 7 -6.372 -4.787 4.447 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.702 -4.956 4.160 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.432 -6.835 3.415 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.949 -7.232 4.314 1.00 9.17 H new ATOM 0 HG23 THR A 7 -7.542 -7.570 5.032 1.00 9.17 H new ATOM 128 N LEU A 8 -8.035 -5.332 8.249 1.00 9.84 N ATOM 129 CA LEU A 8 -8.687 -5.563 9.532 1.00 14.15 C ATOM 130 C LEU A 8 -9.789 -6.667 9.519 1.00 17.37 C ATOM 131 O LEU A 8 -10.399 -6.845 10.536 1.00 17.01 O ATOM 132 CB LEU A 8 -9.237 -4.205 10.010 1.00 16.63 C ATOM 133 CG LEU A 8 -8.088 -3.193 10.235 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.599 -1.830 10.665 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.032 -3.615 11.318 1.00 18.59 C ATOM 0 H LEU A 8 -8.308 -4.420 7.882 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.947 -5.962 10.226 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.935 -3.811 9.272 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.795 -4.340 10.937 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.607 -3.164 9.257 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.756 -1.155 10.810 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.257 -1.428 9.894 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.152 -1.927 11.599 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.268 -2.842 11.402 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.528 -3.741 12.280 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.565 -4.555 11.024 1.00 18.59 H new ATOM 147 N THR A 9 -9.871 -7.416 8.444 1.00 18.33 N ATOM 148 CA THR A 9 -10.811 -8.495 8.185 1.00 19.24 C ATOM 149 C THR A 9 -10.184 -9.766 8.767 1.00 19.48 C ATOM 150 O THR A 9 -10.846 -10.747 9.016 1.00 23.14 O ATOM 151 CB THR A 9 -11.028 -8.662 6.716 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.800 -8.962 6.028 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.529 -7.309 6.124 1.00 19.70 C ATOM 0 H THR A 9 -9.232 -7.279 7.661 1.00 18.33 H new ATOM 0 HA THR A 9 -11.780 -8.283 8.637 1.00 19.24 H new ATOM 0 HB THR A 9 -11.742 -9.475 6.584 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.979 -9.066 5.070 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.691 -7.419 5.052 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.465 -7.026 6.605 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.782 -6.536 6.301 1.00 19.70 H new ATOM 161 N GLY A 10 -8.809 -9.700 8.914 1.00 19.43 N ATOM 162 CA GLY A 10 -7.988 -10.867 9.169 1.00 18.74 C ATOM 163 C GLY A 10 -7.313 -11.404 7.958 1.00 17.62 C ATOM 164 O GLY A 10 -7.193 -12.637 7.756 1.00 19.74 O ATOM 0 H GLY A 10 -8.280 -8.830 8.853 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.232 -10.612 9.912 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.610 -11.649 9.603 1.00 18.74 H new ATOM 168 N LYS A 11 -6.763 -10.510 7.106 1.00 13.56 N ATOM 169 CA LYS A 11 -5.987 -10.901 5.954 1.00 11.91 C ATOM 170 C LYS A 11 -4.667 -10.075 5.746 1.00 10.18 C ATOM 171 O LYS A 11 -4.588 -8.861 5.938 1.00 9.10 O ATOM 172 CB LYS A 11 -6.862 -10.935 4.673 1.00 13.43 C ATOM 173 CG LYS A 11 -6.258 -11.834 3.620 1.00 16.69 C ATOM 174 CD LYS A 11 -7.027 -11.669 2.321 1.00 17.92 C ATOM 175 CE LYS A 11 -6.570 -12.720 1.284 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.346 -12.737 -0.024 1.00 21.93 N ATOM 0 H LYS A 11 -6.857 -9.500 7.216 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.645 -11.915 6.163 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.863 -11.286 4.923 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.968 -9.926 4.275 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.208 -11.583 3.469 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.293 -12.873 3.948 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.096 -11.775 2.508 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.871 -10.666 1.924 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.518 -12.547 1.059 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.640 -13.708 1.740 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.702 -12.970 -0.807 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.100 -13.451 0.029 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.767 -11.801 -0.190 1.00 21.93 H new ATOM 190 N THR A 12 -3.585 -10.867 5.452 1.00 9.63 N ATOM 191 CA THR A 12 -2.230 -10.328 5.065 1.00 9.85 C ATOM 192 C THR A 12 -1.997 -10.851 3.684 1.00 11.66 C ATOM 193 O THR A 12 -2.002 -12.063 3.417 1.00 12.33 O ATOM 194 CB THR A 12 -1.106 -10.835 5.969 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.343 -10.438 7.295 1.00 10.91 O ATOM 196 CG2 THR A 12 0.235 -10.107 5.622 1.00 9.63 C ATOM 0 H THR A 12 -3.623 -11.886 5.475 1.00 9.63 H new ATOM 0 HA THR A 12 -2.223 -9.241 5.145 1.00 9.85 H new ATOM 0 HB THR A 12 -1.059 -11.916 5.838 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.107 -11.170 7.903 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.028 -10.476 6.272 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.497 -10.303 4.582 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.115 -9.034 5.769 1.00 9.63 H new ATOM 204 N ILE A 13 -1.749 -9.950 2.746 1.00 10.42 N ATOM 205 CA ILE A 13 -1.410 -10.301 1.348 1.00 11.84 C ATOM 206 C ILE A 13 0.073 -9.956 1.094 1.00 10.55 C ATOM 207 O ILE A 13 0.589 -9.016 1.729 1.00 11.92 O ATOM 208 CB ILE A 13 -2.385 -9.536 0.412 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.426 -7.989 0.625 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.761 -10.159 0.725 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.217 -7.299 -0.452 1.00 16.46 C ATOM 0 H ILE A 13 -1.774 -8.945 2.920 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.526 -11.367 1.150 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.065 -9.639 -0.625 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.865 -7.767 1.598 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.409 -7.596 0.638 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.524 -9.683 0.110 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.735 -11.227 0.508 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.998 -10.008 1.778 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.222 -6.225 -0.268 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.762 -7.499 -1.422 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.241 -7.672 -0.447 1.00 16.46 H new ATOM 223 N THR A 14 0.767 -10.662 0.205 1.00 9.39 N ATOM 224 CA THR A 14 2.138 -10.372 -0.106 1.00 9.63 C ATOM 225 C THR A 14 2.138 -9.855 -1.526 1.00 11.20 C ATOM 226 O THR A 14 1.527 -10.409 -2.397 1.00 11.63 O ATOM 227 CB THR A 14 2.986 -11.680 -0.087 1.00 10.38 C ATOM 228 OG1 THR A 14 2.581 -12.391 1.058 1.00 16.30 O ATOM 229 CG2 THR A 14 4.508 -11.367 -0.034 1.00 11.66 C ATOM 0 H THR A 14 0.381 -11.451 -0.314 1.00 9.39 H new ATOM 0 HA THR A 14 2.554 -9.666 0.612 1.00 9.63 H new ATOM 0 HB THR A 14 2.826 -12.262 -0.995 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.196 -12.199 1.797 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.071 -12.300 -0.022 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.790 -10.784 -0.911 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.731 -10.797 0.868 1.00 11.66 H new ATOM 237 N LEU A 15 2.815 -8.718 -1.789 1.00 8.29 N ATOM 238 CA LEU A 15 2.942 -8.102 -3.111 1.00 9.03 C ATOM 239 C LEU A 15 4.346 -7.983 -3.600 1.00 8.59 C ATOM 240 O LEU A 15 5.246 -7.550 -2.924 1.00 7.79 O ATOM 241 CB LEU A 15 2.395 -6.653 -3.149 1.00 11.08 C ATOM 242 CG LEU A 15 1.011 -6.341 -2.446 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.792 -4.829 -2.416 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.121 -7.166 -3.062 1.00 15.27 C ATOM 0 H LEU A 15 3.300 -8.194 -1.061 1.00 8.29 H new ATOM 0 HA LEU A 15 2.368 -8.782 -3.741 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.147 -6.005 -2.699 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.307 -6.361 -4.195 1.00 11.08 H new ATOM 0 HG LEU A 15 1.022 -6.660 -1.404 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.160 -4.609 -1.933 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.600 -4.355 -1.859 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.779 -4.443 -3.435 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.059 -6.930 -2.559 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.209 -6.929 -4.122 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.097 -8.228 -2.944 1.00 15.27 H new ATOM 256 N GLU A 16 4.515 -8.413 -4.848 1.00 11.04 N ATOM 257 CA GLU A 16 5.834 -8.130 -5.511 1.00 11.50 C ATOM 258 C GLU A 16 5.894 -6.650 -6.015 1.00 10.13 C ATOM 259 O GLU A 16 4.927 -6.219 -6.646 1.00 9.83 O ATOM 260 CB GLU A 16 5.990 -9.174 -6.606 1.00 17.22 C ATOM 261 CG GLU A 16 7.322 -9.153 -7.389 1.00 23.33 C ATOM 262 CD GLU A 16 8.532 -9.579 -6.594 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.472 -10.535 -5.763 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.629 -9.003 -6.851 1.00 28.90 O ATOM 0 H GLU A 16 3.829 -8.922 -5.405 1.00 11.04 H new ATOM 0 HA GLU A 16 6.676 -8.211 -4.824 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.873 -10.160 -6.157 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.173 -9.048 -7.317 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.227 -9.806 -8.257 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.489 -8.144 -7.766 1.00 23.33 H new ATOM 271 N VAL A 17 6.938 -5.882 -5.741 1.00 8.99 N ATOM 272 CA VAL A 17 7.024 -4.430 -5.980 1.00 8.85 C ATOM 273 C VAL A 17 8.476 -4.158 -6.190 1.00 8.04 C ATOM 274 O VAL A 17 9.282 -5.070 -5.984 1.00 8.99 O ATOM 275 CB VAL A 17 6.520 -3.492 -4.792 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.970 -3.740 -4.672 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.303 -3.822 -3.490 1.00 10.54 C ATOM 0 H VAL A 17 7.791 -6.260 -5.328 1.00 8.99 H new ATOM 0 HA VAL A 17 6.368 -4.195 -6.819 1.00 8.85 H new ATOM 0 HB VAL A 17 6.702 -2.434 -4.979 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.564 -3.123 -3.871 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.486 -3.478 -5.613 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.786 -4.791 -4.449 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.954 -3.178 -2.683 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.137 -4.865 -3.220 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.368 -3.655 -3.653 1.00 10.54 H new ATOM 287 N GLU A 18 8.862 -2.972 -6.583 1.00 7.29 N ATOM 288 CA GLU A 18 10.215 -2.678 -6.857 1.00 7.08 C ATOM 289 C GLU A 18 10.322 -1.207 -6.435 1.00 6.45 C ATOM 290 O GLU A 18 9.303 -0.513 -6.450 1.00 5.28 O ATOM 291 CB GLU A 18 10.636 -2.759 -8.404 1.00 10.28 C ATOM 292 CG GLU A 18 10.708 -4.256 -8.975 1.00 12.65 C ATOM 293 CD GLU A 18 11.934 -5.022 -8.397 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.835 -4.318 -7.868 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.020 -6.269 -8.549 1.00 14.33 O ATOM 0 H GLU A 18 8.227 -2.185 -6.719 1.00 7.29 H new ATOM 0 HA GLU A 18 10.858 -3.397 -6.349 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.921 -2.188 -8.996 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.608 -2.284 -8.532 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.791 -4.789 -8.722 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.772 -4.230 -10.063 1.00 12.65 H new ATOM 302 N PRO A 19 11.491 -0.709 -6.002 1.00 7.24 N ATOM 303 CA PRO A 19 11.651 0.630 -5.433 1.00 7.07 C ATOM 304 C PRO A 19 11.112 1.884 -6.110 1.00 6.65 C ATOM 305 O PRO A 19 10.495 2.774 -5.594 1.00 6.37 O ATOM 306 CB PRO A 19 13.181 0.744 -5.158 1.00 7.61 C ATOM 307 CG PRO A 19 13.627 -0.688 -4.983 1.00 8.16 C ATOM 308 CD PRO A 19 12.760 -1.455 -5.982 1.00 7.49 C ATOM 0 HA PRO A 19 10.976 0.654 -4.578 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.701 1.226 -5.986 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.383 1.337 -4.266 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.689 -0.807 -5.198 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.468 -1.036 -3.963 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.221 -1.485 -6.969 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.610 -2.488 -5.669 1.00 7.49 H new ATOM 316 N SER A 20 11.296 2.068 -7.405 1.00 6.80 N ATOM 317 CA SER A 20 10.965 3.380 -8.115 1.00 6.28 C ATOM 318 C SER A 20 9.572 3.300 -8.691 1.00 8.45 C ATOM 319 O SER A 20 9.169 4.224 -9.342 1.00 7.26 O ATOM 320 CB SER A 20 11.873 3.649 -9.315 1.00 8.57 C ATOM 321 OG SER A 20 13.232 3.953 -8.978 1.00 11.13 O ATOM 0 H SER A 20 11.672 1.349 -8.024 1.00 6.80 H new ATOM 0 HA SER A 20 11.085 4.164 -7.367 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.861 2.775 -9.966 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.460 4.479 -9.888 1.00 8.57 H new ATOM 0 HG SER A 20 13.745 4.110 -9.798 1.00 11.13 H new ATOM 327 N ASP A 21 8.760 2.247 -8.443 1.00 7.50 N ATOM 328 CA ASP A 21 7.351 2.312 -8.575 1.00 7.70 C ATOM 329 C ASP A 21 6.699 3.122 -7.454 1.00 7.08 C ATOM 330 O ASP A 21 7.295 3.363 -6.369 1.00 8.11 O ATOM 331 CB ASP A 21 6.797 0.903 -8.613 1.00 11.00 C ATOM 332 CG ASP A 21 6.817 0.358 -9.963 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.292 1.020 -10.872 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.371 -0.757 -10.207 1.00 18.03 O ATOM 0 H ASP A 21 9.103 1.334 -8.144 1.00 7.50 H new ATOM 0 HA ASP A 21 7.116 2.830 -9.505 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.382 0.263 -7.952 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.775 0.902 -8.234 1.00 11.00 H new ATOM 339 N THR A 22 5.535 3.727 -7.746 1.00 5.37 N ATOM 340 CA THR A 22 4.848 4.595 -6.821 1.00 6.01 C ATOM 341 C THR A 22 4.087 3.925 -5.753 1.00 8.01 C ATOM 342 O THR A 22 3.832 2.714 -5.770 1.00 8.11 O ATOM 343 CB THR A 22 3.945 5.728 -7.442 1.00 8.92 C ATOM 344 OG1 THR A 22 2.887 5.215 -8.209 1.00 10.22 O ATOM 345 CG2 THR A 22 4.735 6.615 -8.426 1.00 9.65 C ATOM 0 H THR A 22 5.056 3.616 -8.639 1.00 5.37 H new ATOM 0 HA THR A 22 5.721 5.076 -6.380 1.00 6.01 H new ATOM 0 HB THR A 22 3.583 6.285 -6.578 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.245 4.777 -9.009 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.077 7.383 -8.832 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.566 7.088 -7.903 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.121 6.001 -9.240 1.00 9.65 H new ATOM 353 N ILE A 23 3.655 4.678 -4.771 1.00 8.32 N ATOM 354 CA ILE A 23 2.609 4.174 -3.841 1.00 9.92 C ATOM 355 C ILE A 23 1.329 3.812 -4.538 1.00 10.01 C ATOM 356 O ILE A 23 0.672 2.842 -4.143 1.00 8.71 O ATOM 357 CB ILE A 23 2.347 5.062 -2.616 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.622 5.582 -1.949 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.404 4.393 -1.601 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.519 4.483 -1.369 1.00 12.30 C ATOM 0 H ILE A 23 3.986 5.623 -4.577 1.00 8.32 H new ATOM 0 HA ILE A 23 3.043 3.256 -3.445 1.00 9.92 H new ATOM 0 HB ILE A 23 1.836 5.942 -3.006 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.194 6.154 -2.680 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.346 6.270 -1.150 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.250 5.060 -0.753 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.446 4.184 -2.077 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.847 3.460 -1.253 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.401 4.935 -0.915 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.967 3.924 -0.613 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.828 3.807 -2.166 1.00 12.30 H new ATOM 372 N GLU A 24 0.852 4.566 -5.585 1.00 9.54 N ATOM 373 CA GLU A 24 -0.277 4.197 -6.322 1.00 11.81 C ATOM 374 C GLU A 24 -0.089 2.885 -7.158 1.00 11.14 C ATOM 375 O GLU A 24 -0.976 2.064 -7.273 1.00 10.62 O ATOM 376 CB GLU A 24 -0.819 5.299 -7.224 1.00 19.24 C ATOM 377 CG GLU A 24 -2.244 5.147 -7.872 1.00 27.76 C ATOM 378 CD GLU A 24 -2.404 6.230 -8.862 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.599 6.404 -9.817 1.00 34.80 O ATOM 380 OE2 GLU A 24 -3.462 6.910 -8.807 1.00 36.51 O ATOM 0 H GLU A 24 1.283 5.437 -5.894 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.018 4.003 -5.547 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.822 6.222 -6.644 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.105 5.435 -8.036 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -2.345 4.173 -8.351 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -3.020 5.209 -7.109 1.00 27.76 H new ATOM 387 N ASN A 25 1.132 2.652 -7.661 1.00 9.43 N ATOM 388 CA ASN A 25 1.411 1.420 -8.281 1.00 10.96 C ATOM 389 C ASN A 25 1.260 0.222 -7.306 1.00 9.68 C ATOM 390 O ASN A 25 0.747 -0.835 -7.681 1.00 9.33 O ATOM 391 CB ASN A 25 2.860 1.467 -8.706 1.00 16.78 C ATOM 392 CG ASN A 25 3.056 2.314 -9.975 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.616 3.394 -9.954 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.507 1.764 -11.098 1.00 24.70 N ATOM 0 H ASN A 25 1.909 3.312 -7.635 1.00 9.43 H new ATOM 0 HA ASN A 25 0.715 1.279 -9.108 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.463 1.880 -7.897 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.219 0.454 -8.886 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.553 2.264 -11.986 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.051 0.853 -11.049 1.00 24.70 H new ATOM 401 N VAL A 26 1.696 0.350 -6.009 1.00 6.52 N ATOM 402 CA VAL A 26 1.438 -0.640 -5.009 1.00 5.53 C ATOM 403 C VAL A 26 -0.056 -0.920 -4.897 1.00 4.42 C ATOM 404 O VAL A 26 -0.535 -2.043 -4.869 1.00 3.40 O ATOM 405 CB VAL A 26 1.876 -0.203 -3.564 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.669 -1.351 -2.460 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.438 0.117 -3.584 1.00 8.12 C ATOM 0 H VAL A 26 2.229 1.151 -5.671 1.00 6.52 H new ATOM 0 HA VAL A 26 2.013 -1.507 -5.333 1.00 5.53 H new ATOM 0 HB VAL A 26 1.257 0.654 -3.299 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.991 -0.982 -1.486 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.615 -1.625 -2.413 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.260 -2.226 -2.730 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.760 0.422 -2.588 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.988 -0.774 -3.886 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.635 0.922 -4.292 1.00 8.12 H new ATOM 417 N LYS A 27 -0.923 0.102 -4.825 1.00 2.64 N ATOM 418 CA LYS A 27 -2.409 -0.023 -4.844 1.00 4.14 C ATOM 419 C LYS A 27 -2.959 -0.606 -6.151 1.00 5.58 C ATOM 420 O LYS A 27 -3.935 -1.387 -6.107 1.00 4.11 O ATOM 421 CB LYS A 27 -3.126 1.325 -4.595 1.00 3.97 C ATOM 422 CG LYS A 27 -2.719 1.962 -3.255 1.00 7.45 C ATOM 423 CD LYS A 27 -3.319 3.378 -3.168 1.00 9.02 C ATOM 424 CE LYS A 27 -3.119 3.909 -1.751 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.722 5.327 -1.492 1.00 15.47 N ATOM 0 H LYS A 27 -0.612 1.070 -4.750 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.618 -0.714 -4.028 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.894 2.013 -5.408 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.205 1.169 -4.608 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.074 1.351 -2.425 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.633 2.008 -3.175 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.837 4.037 -3.890 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.380 3.355 -3.416 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.565 3.206 -1.048 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.051 3.939 -1.537 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.211 5.784 -0.710 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.629 5.906 -2.351 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.728 5.236 -1.243 1.00 15.47 H new ATOM 439 N ALA A 28 -2.381 -0.301 -7.337 1.00 6.61 N ATOM 440 CA ALA A 28 -2.734 -0.986 -8.528 1.00 7.74 C ATOM 441 C ALA A 28 -2.413 -2.462 -8.421 1.00 9.17 C ATOM 442 O ALA A 28 -3.268 -3.284 -8.860 1.00 11.45 O ATOM 443 CB ALA A 28 -1.988 -0.420 -9.771 1.00 7.68 C ATOM 0 H ALA A 28 -1.671 0.421 -7.458 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.807 -0.840 -8.655 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.289 -0.975 -10.660 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.239 0.633 -9.898 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.912 -0.522 -9.627 1.00 7.68 H new ATOM 449 N LYS A 29 -1.292 -2.888 -7.871 1.00 8.96 N ATOM 450 CA LYS A 29 -0.968 -4.246 -7.572 1.00 7.90 C ATOM 451 C LYS A 29 -1.946 -4.959 -6.627 1.00 6.92 C ATOM 452 O LYS A 29 -2.292 -6.110 -6.869 1.00 6.87 O ATOM 453 CB LYS A 29 0.407 -4.446 -6.852 1.00 10.28 C ATOM 454 CG LYS A 29 1.137 -5.769 -7.169 1.00 14.94 C ATOM 455 CD LYS A 29 1.581 -5.930 -8.664 1.00 19.69 C ATOM 456 CE LYS A 29 2.254 -7.251 -8.858 1.00 22.63 C ATOM 457 NZ LYS A 29 2.607 -7.518 -10.257 1.00 24.98 N ATOM 0 H LYS A 29 -0.545 -2.245 -7.610 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.985 -4.663 -8.579 1.00 7.90 H new ATOM 0 HB2 LYS A 29 1.062 -3.617 -7.120 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.245 -4.389 -5.776 1.00 10.28 H new ATOM 0 HG2 LYS A 29 2.019 -5.843 -6.532 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.483 -6.601 -6.907 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.714 -5.855 -9.320 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.260 -5.123 -8.939 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.157 -7.285 -8.249 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.597 -8.043 -8.498 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.070 -8.447 -10.327 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.745 -7.516 -10.839 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.257 -6.781 -10.598 1.00 24.98 H new ATOM 471 N ILE A 30 -2.403 -4.284 -5.568 1.00 4.57 N ATOM 472 CA ILE A 30 -3.527 -4.677 -4.743 1.00 5.58 C ATOM 473 C ILE A 30 -4.898 -4.748 -5.442 1.00 7.26 C ATOM 474 O ILE A 30 -5.675 -5.652 -5.221 1.00 9.46 O ATOM 475 CB ILE A 30 -3.634 -3.687 -3.502 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.336 -3.822 -2.695 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.825 -4.039 -2.524 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.026 -2.721 -1.649 1.00 2.00 C ATOM 0 H ILE A 30 -1.974 -3.412 -5.257 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.307 -5.703 -4.448 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.806 -2.684 -3.894 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.360 -4.781 -2.177 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.505 -3.861 -3.399 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.842 -3.326 -1.700 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.769 -3.988 -3.067 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.687 -5.046 -2.130 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.080 -2.944 -1.155 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.955 -1.755 -2.148 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.824 -2.689 -0.907 1.00 2.00 H new ATOM 490 N GLN A 31 -5.194 -3.816 -6.377 1.00 7.06 N ATOM 491 CA GLN A 31 -6.391 -3.865 -7.159 1.00 8.67 C ATOM 492 C GLN A 31 -6.410 -5.186 -8.126 1.00 10.90 C ATOM 493 O GLN A 31 -7.410 -5.873 -8.144 1.00 9.63 O ATOM 494 CB GLN A 31 -6.494 -2.552 -8.000 1.00 9.12 C ATOM 495 CG GLN A 31 -7.842 -2.459 -8.756 1.00 10.76 C ATOM 496 CD GLN A 31 -8.026 -1.137 -9.517 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.122 -0.646 -9.608 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.968 -0.625 -10.236 1.00 14.76 N ATOM 0 H GLN A 31 -4.592 -3.020 -6.589 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.254 -3.942 -6.497 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.386 -1.689 -7.342 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.672 -2.513 -8.715 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.913 -3.288 -9.460 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.658 -2.576 -8.043 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.043 -1.047 -10.153 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.110 0.176 -10.851 1.00 14.76 H new ATOM 507 N ASP A 32 -5.267 -5.517 -8.714 1.00 10.93 N ATOM 508 CA ASP A 32 -5.087 -6.755 -9.506 1.00 14.01 C ATOM 509 C ASP A 32 -5.300 -7.994 -8.638 1.00 14.04 C ATOM 510 O ASP A 32 -5.891 -8.980 -9.090 1.00 13.39 O ATOM 511 CB ASP A 32 -3.669 -6.762 -10.144 1.00 18.01 C ATOM 512 CG ASP A 32 -3.322 -8.061 -10.870 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.111 -8.482 -11.732 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.229 -8.634 -10.624 1.00 26.29 O ATOM 0 H ASP A 32 -4.427 -4.940 -8.662 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.833 -6.779 -10.300 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.594 -5.933 -10.848 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.929 -6.585 -9.363 1.00 18.01 H new ATOM 519 N LYS A 33 -4.845 -7.901 -7.385 1.00 14.22 N ATOM 520 CA LYS A 33 -4.865 -9.037 -6.511 1.00 14.00 C ATOM 521 C LYS A 33 -6.172 -9.231 -5.817 1.00 12.37 C ATOM 522 O LYS A 33 -6.811 -10.276 -5.868 1.00 12.17 O ATOM 523 CB LYS A 33 -3.706 -8.979 -5.444 1.00 18.62 C ATOM 524 CG LYS A 33 -3.533 -10.259 -4.618 1.00 24.00 C ATOM 525 CD LYS A 33 -2.310 -10.137 -3.733 1.00 27.61 C ATOM 526 CE LYS A 33 -1.022 -10.408 -4.551 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.986 -11.722 -5.193 1.00 30.06 N ATOM 0 H LYS A 33 -4.464 -7.050 -6.972 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.710 -9.896 -7.164 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.769 -8.764 -5.957 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.896 -8.147 -4.765 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.419 -10.431 -4.007 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.430 -11.119 -5.280 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.268 -9.139 -3.296 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.379 -10.844 -2.907 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.923 -9.639 -5.317 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.159 -10.314 -3.891 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.001 -11.991 -5.378 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.425 -12.427 -4.567 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.509 -11.684 -6.091 1.00 30.06 H new ATOM 541 N GLU A 34 -6.732 -8.203 -5.149 1.00 10.11 N ATOM 542 CA GLU A 34 -7.874 -8.379 -4.296 1.00 10.07 C ATOM 543 C GLU A 34 -9.148 -7.621 -4.761 1.00 9.32 C ATOM 544 O GLU A 34 -10.245 -7.768 -4.173 1.00 11.61 O ATOM 545 CB GLU A 34 -7.535 -7.868 -2.830 1.00 14.77 C ATOM 546 CG GLU A 34 -6.341 -8.571 -2.133 1.00 18.75 C ATOM 547 CD GLU A 34 -6.579 -10.022 -1.649 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.569 -10.252 -0.945 1.00 25.19 O ATOM 549 OE2 GLU A 34 -5.814 -10.925 -2.015 1.00 21.95 O ATOM 0 H GLU A 34 -6.392 -7.243 -5.200 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.090 -9.447 -4.330 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.327 -6.799 -2.877 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.421 -7.993 -2.207 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.498 -8.576 -2.824 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.045 -7.969 -1.274 1.00 18.75 H new ATOM 556 N GLY A 35 -9.104 -6.825 -5.837 1.00 7.22 N ATOM 557 CA GLY A 35 -10.293 -6.089 -6.446 1.00 6.29 C ATOM 558 C GLY A 35 -10.732 -4.854 -5.848 1.00 6.93 C ATOM 559 O GLY A 35 -11.871 -4.400 -6.035 1.00 7.41 O ATOM 0 H GLY A 35 -8.236 -6.650 -6.343 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.053 -5.882 -7.489 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.140 -6.775 -6.444 1.00 6.29 H new ATOM 563 N ILE A 36 -9.939 -4.277 -4.976 1.00 5.86 N ATOM 564 CA ILE A 36 -10.304 -3.051 -4.252 1.00 6.07 C ATOM 565 C ILE A 36 -9.813 -1.832 -5.074 1.00 6.36 C ATOM 566 O ILE A 36 -8.646 -1.853 -5.447 1.00 6.18 O ATOM 567 CB ILE A 36 -9.691 -2.957 -2.852 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.937 -4.304 -2.034 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.406 -1.773 -2.161 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.126 -4.445 -0.752 1.00 9.49 C ATOM 0 H ILE A 36 -9.014 -4.636 -4.737 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.387 -3.066 -4.130 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.612 -2.808 -2.900 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.996 -4.369 -1.784 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.710 -5.150 -2.683 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.014 -1.650 -1.152 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.233 -0.860 -2.731 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.476 -1.973 -2.112 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.366 -5.394 -0.272 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.063 -4.418 -0.989 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.368 -3.625 -0.076 1.00 9.49 H new ATOM 582 N PRO A 37 -10.621 -0.829 -5.392 1.00 8.65 N ATOM 583 CA PRO A 37 -10.138 0.299 -6.189 1.00 9.18 C ATOM 584 C PRO A 37 -9.218 1.196 -5.413 1.00 9.85 C ATOM 585 O PRO A 37 -9.516 1.466 -4.238 1.00 8.51 O ATOM 586 CB PRO A 37 -11.464 0.998 -6.587 1.00 11.42 C ATOM 587 CG PRO A 37 -12.548 -0.078 -6.569 1.00 9.27 C ATOM 588 CD PRO A 37 -12.100 -0.940 -5.389 1.00 8.33 C ATOM 0 HA PRO A 37 -9.530 0.004 -7.044 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.703 1.801 -5.889 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.382 1.449 -7.576 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.542 0.343 -6.416 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.581 -0.643 -7.501 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.524 -0.581 -4.451 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.421 -1.975 -5.508 1.00 8.33 H new ATOM 596 N PRO A 38 -8.141 1.675 -5.968 1.00 8.71 N ATOM 597 CA PRO A 38 -7.132 2.499 -5.248 1.00 9.08 C ATOM 598 C PRO A 38 -7.752 3.721 -4.570 1.00 9.28 C ATOM 599 O PRO A 38 -7.211 4.151 -3.556 1.00 6.50 O ATOM 600 CB PRO A 38 -6.096 2.919 -6.344 1.00 10.31 C ATOM 601 CG PRO A 38 -6.136 1.716 -7.280 1.00 10.81 C ATOM 602 CD PRO A 38 -7.581 1.163 -7.158 1.00 12.00 C ATOM 0 HA PRO A 38 -6.670 1.936 -4.437 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.385 3.841 -6.849 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.102 3.081 -5.928 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.909 2.006 -8.306 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.400 0.966 -6.991 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.178 1.461 -8.020 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.572 0.073 -7.138 1.00 12.00 H new ATOM 610 N ASP A 39 -8.866 4.273 -5.095 1.00 11.20 N ATOM 611 CA ASP A 39 -9.610 5.319 -4.418 1.00 14.96 C ATOM 612 C ASP A 39 -10.159 4.982 -3.027 1.00 13.99 C ATOM 613 O ASP A 39 -10.433 5.918 -2.257 1.00 13.75 O ATOM 614 CB ASP A 39 -10.694 6.013 -5.291 1.00 24.16 C ATOM 615 CG ASP A 39 -10.051 6.518 -6.604 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.162 7.403 -6.563 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.496 6.133 -7.720 1.00 34.22 O ATOM 0 H ASP A 39 -9.261 3.998 -5.995 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.815 6.044 -4.242 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.500 5.314 -5.513 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.137 6.847 -4.746 1.00 24.16 H new ATOM 622 N GLN A 40 -10.295 3.674 -2.688 1.00 11.60 N ATOM 623 CA GLN A 40 -10.804 3.291 -1.394 1.00 10.76 C ATOM 624 C GLN A 40 -9.641 2.771 -0.566 1.00 8.01 C ATOM 625 O GLN A 40 -9.782 2.611 0.653 1.00 8.96 O ATOM 626 CB GLN A 40 -11.815 2.142 -1.839 1.00 11.14 C ATOM 627 CG GLN A 40 -12.748 1.729 -0.681 1.00 14.85 C ATOM 628 CD GLN A 40 -13.415 0.342 -0.848 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.479 -0.313 -1.908 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.951 -0.192 0.320 1.00 18.16 N ATOM 0 H GLN A 40 -10.056 2.894 -3.300 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.272 4.063 -0.783 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.412 2.488 -2.683 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.252 1.274 -2.182 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.176 1.732 0.247 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.529 2.482 -0.576 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.903 0.336 1.191 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.392 -1.112 0.305 1.00 18.16 H new ATOM 639 N GLN A 41 -8.465 2.549 -1.217 1.00 6.52 N ATOM 640 CA GLN A 41 -7.298 2.040 -0.511 1.00 3.87 C ATOM 641 C GLN A 41 -6.478 3.183 0.105 1.00 4.79 C ATOM 642 O GLN A 41 -6.175 4.132 -0.570 1.00 6.34 O ATOM 643 CB GLN A 41 -6.341 1.291 -1.476 1.00 4.20 C ATOM 644 CG GLN A 41 -6.987 0.148 -2.261 1.00 3.20 C ATOM 645 CD GLN A 41 -5.850 -0.512 -3.084 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.705 -0.545 -2.595 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.170 -1.076 -4.291 1.00 7.13 N ATOM 0 H GLN A 41 -8.320 2.717 -2.213 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.680 1.372 0.261 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.925 2.009 -2.183 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.506 0.891 -0.900 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.449 -0.574 -1.587 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.774 0.522 -2.916 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.125 -1.019 -4.643 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.453 -1.553 -4.837 1.00 7.13 H new ATOM 656 N ARG A 42 -6.106 3.066 1.400 1.00 5.73 N ATOM 657 CA ARG A 42 -5.093 3.946 1.951 1.00 6.97 C ATOM 658 C ARG A 42 -4.021 3.109 2.601 1.00 7.15 C ATOM 659 O ARG A 42 -4.338 2.089 3.173 1.00 7.33 O ATOM 660 CB ARG A 42 -5.698 4.935 2.966 1.00 13.23 C ATOM 661 CG ARG A 42 -6.392 6.077 2.206 1.00 21.27 C ATOM 662 CD ARG A 42 -6.825 7.085 3.260 1.00 26.14 C ATOM 663 NE ARG A 42 -7.495 8.223 2.507 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.222 9.185 3.152 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.427 9.092 4.452 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.790 10.136 2.451 1.00 36.39 N ATOM 0 H ARG A 42 -6.490 2.385 2.055 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.661 4.537 1.144 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.413 4.423 3.609 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.917 5.334 3.613 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.714 6.534 1.485 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.250 5.707 1.645 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.513 6.631 3.973 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.968 7.446 3.829 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.400 8.270 1.493 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.044 8.304 4.974 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.969 9.808 4.935 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.687 10.153 1.436 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.335 10.859 2.920 1.00 36.39 H new ATOM 680 N LEU A 43 -2.784 3.481 2.520 1.00 4.65 N ATOM 681 CA LEU A 43 -1.697 2.690 2.926 1.00 3.51 C ATOM 682 C LEU A 43 -0.907 3.415 4.022 1.00 5.56 C ATOM 683 O LEU A 43 -0.641 4.598 3.924 1.00 4.19 O ATOM 684 CB LEU A 43 -0.669 2.353 1.805 1.00 3.74 C ATOM 685 CG LEU A 43 -1.286 1.363 0.800 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.449 1.331 -0.555 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.415 -0.044 1.396 1.00 6.41 C ATOM 0 H LEU A 43 -2.505 4.390 2.150 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.153 1.758 3.260 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.369 3.266 1.290 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.231 1.923 2.244 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.292 1.715 0.572 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.905 0.624 -1.248 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.443 2.325 -1.002 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.575 1.022 -0.343 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.854 -0.713 0.657 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.428 -0.412 1.678 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.054 -0.008 2.278 1.00 6.41 H new ATOM 699 N ILE A 44 -0.611 2.642 5.109 1.00 4.58 N ATOM 700 CA ILE A 44 0.171 3.127 6.233 1.00 5.55 C ATOM 701 C ILE A 44 1.355 2.188 6.539 1.00 5.46 C ATOM 702 O ILE A 44 1.208 0.986 6.370 1.00 6.04 O ATOM 703 CB ILE A 44 -0.556 3.295 7.630 1.00 6.80 C ATOM 704 CG1 ILE A 44 -1.881 4.077 7.355 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.267 3.850 8.763 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.760 4.383 8.543 1.00 13.90 C ATOM 0 H ILE A 44 -0.917 1.674 5.208 1.00 4.58 H new ATOM 0 HA ILE A 44 0.443 4.118 5.870 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.761 2.301 8.028 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.623 5.020 6.874 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.469 3.504 6.638 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.347 3.915 9.661 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.117 3.194 8.951 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.628 4.844 8.498 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.644 4.928 8.211 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.066 3.451 9.019 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.206 4.991 9.258 1.00 13.90 H new ATOM 718 N PHE A 45 2.547 2.675 6.944 1.00 6.75 N ATOM 719 CA PHE A 45 3.694 1.872 7.325 1.00 4.70 C ATOM 720 C PHE A 45 4.393 2.763 8.388 1.00 6.34 C ATOM 721 O PHE A 45 4.466 3.955 8.110 1.00 5.45 O ATOM 722 CB PHE A 45 4.639 1.733 6.083 1.00 5.51 C ATOM 723 CG PHE A 45 6.052 1.316 6.398 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.518 0.013 6.380 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.986 2.388 6.525 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.898 -0.314 6.619 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.382 2.098 6.694 1.00 6.64 C ATOM 728 CZ PHE A 45 8.823 0.780 6.796 1.00 6.84 C ATOM 0 H PHE A 45 2.728 3.677 7.012 1.00 6.75 H new ATOM 0 HA PHE A 45 3.441 0.873 7.682 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.206 1.005 5.397 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.667 2.688 5.559 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.821 -0.787 6.179 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.644 3.412 6.494 1.00 5.87 H new ATOM 0 HE1 PHE A 45 8.230 -1.341 6.664 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.096 2.907 6.742 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.862 0.576 7.009 1.00 6.84 H new ATOM 738 N ALA A 46 4.813 2.255 9.569 1.00 6.53 N ATOM 739 CA ALA A 46 5.596 2.917 10.584 1.00 7.15 C ATOM 740 C ALA A 46 5.101 4.298 11.015 1.00 9.00 C ATOM 741 O ALA A 46 5.820 5.307 10.973 1.00 11.15 O ATOM 742 CB ALA A 46 7.030 3.063 10.182 1.00 8.99 C ATOM 0 H ALA A 46 4.585 1.298 9.837 1.00 6.53 H new ATOM 0 HA ALA A 46 5.483 2.248 11.437 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.581 3.567 10.976 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.462 2.077 10.010 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.093 3.652 9.267 1.00 8.99 H new ATOM 748 N GLY A 47 3.746 4.359 11.396 1.00 9.35 N ATOM 749 CA GLY A 47 3.072 5.566 11.723 1.00 11.68 C ATOM 750 C GLY A 47 2.655 6.469 10.572 1.00 11.14 C ATOM 751 O GLY A 47 1.982 7.477 10.779 1.00 13.93 O ATOM 0 H GLY A 47 3.152 3.532 11.463 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.178 5.309 12.291 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.716 6.142 12.387 1.00 11.68 H new ATOM 755 N LYS A 48 3.103 6.134 9.396 1.00 10.47 N ATOM 756 CA LYS A 48 3.104 7.113 8.267 1.00 8.82 C ATOM 757 C LYS A 48 2.142 6.639 7.148 1.00 7.68 C ATOM 758 O LYS A 48 2.283 5.510 6.649 1.00 6.47 O ATOM 759 CB LYS A 48 4.497 7.333 7.613 1.00 9.74 C ATOM 760 CG LYS A 48 5.476 7.828 8.749 1.00 14.14 C ATOM 761 CD LYS A 48 6.806 7.838 8.014 1.00 16.32 C ATOM 762 CE LYS A 48 7.950 8.563 8.688 1.00 20.04 C ATOM 763 NZ LYS A 48 9.252 8.334 8.007 1.00 23.92 N ATOM 0 H LYS A 48 3.474 5.213 9.163 1.00 10.47 H new ATOM 0 HA LYS A 48 2.788 8.056 8.713 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.862 6.408 7.167 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.434 8.070 6.812 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.206 8.816 9.123 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.485 7.154 9.606 1.00 14.14 H new ATOM 0 HD2 LYS A 48 7.110 6.805 7.846 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.649 8.287 7.033 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.737 9.632 8.707 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.023 8.234 9.725 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 10.002 8.852 8.508 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.472 7.317 8.011 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 9.194 8.672 7.025 1.00 23.92 H new ATOM 777 N GLN A 49 1.191 7.585 6.741 1.00 8.89 N ATOM 778 CA GLN A 49 0.304 7.421 5.584 1.00 7.18 C ATOM 779 C GLN A 49 0.963 7.802 4.303 1.00 8.23 C ATOM 780 O GLN A 49 1.573 8.836 4.233 1.00 9.70 O ATOM 781 CB GLN A 49 -0.995 8.191 5.789 1.00 11.67 C ATOM 782 CG GLN A 49 -2.295 7.615 5.179 1.00 15.82 C ATOM 783 CD GLN A 49 -3.496 8.480 5.632 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.847 8.568 6.792 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.247 9.073 4.631 1.00 20.67 N ATOM 0 H GLN A 49 1.050 8.468 7.232 1.00 8.89 H new ATOM 0 HA GLN A 49 0.068 6.360 5.507 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.151 8.299 6.862 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.854 9.193 5.385 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.228 7.606 4.091 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.434 6.582 5.498 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.950 8.998 3.658 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.097 9.585 4.867 1.00 20.67 H new ATOM 794 N LEU A 50 0.995 6.841 3.411 1.00 6.51 N ATOM 795 CA LEU A 50 1.947 6.853 2.291 1.00 7.41 C ATOM 796 C LEU A 50 1.165 7.389 1.099 1.00 8.27 C ATOM 797 O LEU A 50 0.038 7.028 0.827 1.00 8.34 O ATOM 798 CB LEU A 50 2.438 5.451 1.932 1.00 7.13 C ATOM 799 CG LEU A 50 2.932 4.567 3.098 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.133 3.149 2.611 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.307 5.133 3.621 1.00 9.11 C ATOM 0 H LEU A 50 0.376 6.031 3.427 1.00 6.51 H new ATOM 0 HA LEU A 50 2.820 7.449 2.557 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.627 4.926 1.427 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.251 5.549 1.212 1.00 7.13 H new ATOM 0 HG LEU A 50 2.194 4.573 3.900 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.482 2.527 3.436 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.188 2.756 2.234 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.874 3.140 1.812 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.665 4.516 4.445 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.038 5.118 2.812 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.171 6.157 3.968 1.00 9.11 H new ATOM 813 N GLU A 51 1.722 8.361 0.315 1.00 9.43 N ATOM 814 CA GLU A 51 0.947 9.198 -0.567 1.00 11.90 C ATOM 815 C GLU A 51 1.173 8.822 -1.978 1.00 11.49 C ATOM 816 O GLU A 51 2.307 8.445 -2.344 1.00 9.88 O ATOM 817 CB GLU A 51 1.421 10.668 -0.333 1.00 16.56 C ATOM 818 CG GLU A 51 0.479 11.733 -0.997 1.00 26.06 C ATOM 819 CD GLU A 51 1.070 13.106 -0.570 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.650 13.558 0.523 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.884 13.649 -1.322 1.00 33.44 O ATOM 0 H GLU A 51 2.722 8.562 0.299 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.117 9.084 -0.360 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.476 10.859 0.739 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.429 10.786 -0.730 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.466 11.628 -2.082 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.549 11.621 -0.653 1.00 26.06 H new ATOM 828 N ASP A 52 0.071 8.810 -2.736 1.00 12.71 N ATOM 829 CA ASP A 52 -0.114 8.145 -4.024 1.00 16.56 C ATOM 830 C ASP A 52 0.957 8.385 -5.100 1.00 15.83 C ATOM 831 O ASP A 52 1.318 7.407 -5.788 1.00 17.21 O ATOM 832 CB ASP A 52 -1.512 8.484 -4.588 1.00 21.05 C ATOM 833 CG ASP A 52 -2.649 7.869 -3.683 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.005 6.653 -3.716 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.202 8.662 -2.887 1.00 28.37 O ATOM 0 H ASP A 52 -0.773 9.301 -2.442 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.010 7.086 -3.790 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.633 9.566 -4.645 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.602 8.099 -5.604 1.00 21.05 H new ATOM 840 N GLY A 53 1.533 9.584 -5.278 1.00 15.00 N ATOM 841 CA GLY A 53 2.365 9.959 -6.398 1.00 11.77 C ATOM 842 C GLY A 53 3.804 10.057 -6.193 1.00 11.10 C ATOM 843 O GLY A 53 4.594 10.606 -6.960 1.00 11.25 O ATOM 0 H GLY A 53 1.417 10.343 -4.606 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.192 9.237 -7.196 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.015 10.925 -6.762 1.00 11.77 H new ATOM 847 N ARG A 54 4.205 9.399 -5.090 1.00 8.53 N ATOM 848 CA ARG A 54 5.541 9.382 -4.625 1.00 9.05 C ATOM 849 C ARG A 54 5.974 7.984 -4.792 1.00 8.96 C ATOM 850 O ARG A 54 5.193 7.074 -4.796 1.00 11.60 O ATOM 851 CB ARG A 54 5.606 9.764 -3.137 1.00 7.97 C ATOM 852 CG ARG A 54 4.968 11.090 -2.761 1.00 9.62 C ATOM 853 CD ARG A 54 5.469 11.534 -1.369 1.00 12.20 C ATOM 854 NE ARG A 54 4.603 12.627 -0.840 1.00 18.23 N ATOM 855 CZ ARG A 54 4.818 13.237 0.315 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.793 12.919 1.103 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.924 14.154 0.641 1.00 23.38 N ATOM 0 H ARG A 54 3.566 8.860 -4.505 1.00 8.53 H new ATOM 0 HA ARG A 54 6.167 10.091 -5.166 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.125 8.975 -2.559 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.653 9.788 -2.834 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.215 11.847 -3.505 1.00 9.62 H new ATOM 0 HG3 ARG A 54 3.882 10.993 -2.753 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.460 10.687 -0.683 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.501 11.877 -1.437 1.00 12.20 H new ATOM 0 HE ARG A 54 3.802 12.920 -1.399 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.435 12.170 0.843 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.920 13.417 1.984 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.140 14.346 0.018 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.018 14.670 1.516 1.00 23.38 H new ATOM 871 N THR A 55 7.274 7.764 -4.898 1.00 9.05 N ATOM 872 CA THR A 55 7.926 6.442 -5.079 1.00 9.03 C ATOM 873 C THR A 55 8.075 5.745 -3.713 1.00 8.15 C ATOM 874 O THR A 55 8.212 6.341 -2.639 1.00 5.91 O ATOM 875 CB THR A 55 9.155 6.383 -5.946 1.00 11.15 C ATOM 876 OG1 THR A 55 10.147 7.293 -5.466 1.00 11.95 O ATOM 877 CG2 THR A 55 8.742 6.764 -7.390 1.00 11.71 C ATOM 0 H THR A 55 7.950 8.527 -4.861 1.00 9.05 H new ATOM 0 HA THR A 55 7.242 5.867 -5.703 1.00 9.03 H new ATOM 0 HB THR A 55 9.579 5.379 -5.924 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.961 6.798 -5.237 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.616 6.729 -8.040 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.993 6.060 -7.752 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.326 7.771 -7.396 1.00 11.71 H new ATOM 885 N LEU A 56 8.141 4.413 -3.765 1.00 6.91 N ATOM 886 CA LEU A 56 8.574 3.566 -2.698 1.00 8.29 C ATOM 887 C LEU A 56 10.045 3.898 -2.254 1.00 8.05 C ATOM 888 O LEU A 56 10.327 3.884 -1.055 1.00 10.17 O ATOM 889 CB LEU A 56 8.577 2.050 -3.087 1.00 6.60 C ATOM 890 CG LEU A 56 7.251 1.388 -3.019 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.177 0.251 -3.956 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.999 0.738 -1.633 1.00 8.64 C ATOM 0 H LEU A 56 7.877 3.890 -4.600 1.00 6.91 H new ATOM 0 HA LEU A 56 7.860 3.752 -1.896 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.966 1.950 -4.100 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.266 1.521 -2.428 1.00 6.60 H new ATOM 0 HG LEU A 56 6.530 2.174 -3.244 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.194 -0.216 -3.885 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.337 0.607 -4.974 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.945 -0.480 -3.703 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.017 0.265 -1.626 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.765 -0.012 -1.438 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.037 1.505 -0.859 1.00 8.64 H new ATOM 904 N SER A 57 10.896 4.300 -3.244 1.00 8.92 N ATOM 905 CA SER A 57 12.146 4.924 -2.908 1.00 9.00 C ATOM 906 C SER A 57 12.123 6.193 -2.137 1.00 9.44 C ATOM 907 O SER A 57 12.925 6.454 -1.275 1.00 10.91 O ATOM 908 CB SER A 57 13.022 5.162 -4.201 1.00 10.32 C ATOM 909 OG SER A 57 12.385 5.898 -5.274 1.00 13.59 O ATOM 0 H SER A 57 10.719 4.194 -4.243 1.00 8.92 H new ATOM 0 HA SER A 57 12.571 4.190 -2.223 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.927 5.695 -3.909 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.334 4.192 -4.588 1.00 10.32 H new ATOM 0 HG SER A 57 13.010 5.991 -6.023 1.00 13.59 H new ATOM 915 N ASP A 58 11.140 7.055 -2.425 1.00 9.11 N ATOM 916 CA ASP A 58 11.077 8.239 -1.643 1.00 7.91 C ATOM 917 C ASP A 58 10.836 7.989 -0.098 1.00 9.12 C ATOM 918 O ASP A 58 11.540 8.564 0.775 1.00 8.61 O ATOM 919 CB ASP A 58 9.977 9.210 -2.285 1.00 8.41 C ATOM 920 CG ASP A 58 9.971 10.637 -1.767 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.040 11.259 -1.633 1.00 10.05 O ATOM 922 OD2 ASP A 58 8.886 11.142 -1.447 1.00 11.70 O ATOM 0 H ASP A 58 10.431 6.946 -3.151 1.00 9.11 H new ATOM 0 HA ASP A 58 12.057 8.714 -1.673 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.128 9.236 -3.364 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.992 8.777 -2.112 1.00 8.41 H new ATOM 927 N TYR A 59 9.938 7.014 0.245 1.00 7.97 N ATOM 928 CA TYR A 59 9.711 6.451 1.590 1.00 8.45 C ATOM 929 C TYR A 59 10.851 5.585 2.152 1.00 10.98 C ATOM 930 O TYR A 59 10.858 5.329 3.311 1.00 12.95 O ATOM 931 CB TYR A 59 8.404 5.653 1.735 1.00 7.94 C ATOM 932 CG TYR A 59 7.340 6.750 1.750 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.025 7.479 2.896 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.570 6.948 0.608 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.955 8.414 2.912 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.500 7.877 0.558 1.00 6.52 C ATOM 937 CZ TYR A 59 5.187 8.609 1.706 1.00 6.76 C ATOM 938 OH TYR A 59 4.123 9.488 1.672 1.00 7.63 O ATOM 0 H TYR A 59 9.329 6.587 -0.453 1.00 7.97 H new ATOM 0 HA TYR A 59 9.652 7.366 2.180 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.259 4.960 0.907 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.390 5.063 2.651 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.608 7.330 3.793 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.797 6.371 -0.276 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.721 8.968 3.809 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.936 8.016 -0.353 1.00 6.52 H new ATOM 0 HH TYR A 59 4.358 10.265 1.123 1.00 7.63 H new ATOM 948 N ASN A 60 11.725 5.085 1.278 1.00 12.38 N ATOM 949 CA ASN A 60 12.821 4.249 1.663 1.00 13.94 C ATOM 950 C ASN A 60 12.436 2.867 2.177 1.00 14.16 C ATOM 951 O ASN A 60 12.993 2.311 3.105 1.00 14.26 O ATOM 952 CB ASN A 60 13.763 4.955 2.643 1.00 19.23 C ATOM 953 CG ASN A 60 14.198 6.340 2.110 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.879 6.372 1.138 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.728 7.441 2.732 1.00 24.09 N ATOM 0 H ASN A 60 11.676 5.262 0.275 1.00 12.38 H new ATOM 0 HA ASN A 60 13.353 4.067 0.729 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.266 5.074 3.606 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.644 4.336 2.813 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.954 8.367 2.369 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.147 7.347 3.565 1.00 24.09 H new ATOM 962 N ILE A 61 11.353 2.246 1.564 1.00 11.08 N ATOM 963 CA ILE A 61 10.760 1.024 2.021 1.00 11.78 C ATOM 964 C ILE A 61 11.488 -0.116 1.443 1.00 13.74 C ATOM 965 O ILE A 61 11.706 -0.208 0.239 1.00 14.60 O ATOM 966 CB ILE A 61 9.254 1.014 1.698 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.499 1.912 2.622 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.752 -0.480 1.856 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.098 2.193 2.062 1.00 11.42 C ATOM 0 H ILE A 61 10.900 2.626 0.733 1.00 11.08 H new ATOM 0 HA ILE A 61 10.841 0.940 3.105 1.00 11.78 H new ATOM 0 HB ILE A 61 9.085 1.380 0.685 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.419 1.449 3.606 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.041 2.849 2.753 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.686 -0.531 1.635 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.297 -1.122 1.164 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.927 -0.817 2.878 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.558 2.849 2.745 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.185 2.676 1.089 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.554 1.254 1.954 1.00 11.42 H new ATOM 981 N GLN A 62 11.925 -1.094 2.346 1.00 13.97 N ATOM 982 CA GLN A 62 12.752 -2.183 1.974 1.00 15.52 C ATOM 983 C GLN A 62 11.953 -3.490 1.786 1.00 13.94 C ATOM 984 O GLN A 62 10.927 -3.659 2.431 1.00 12.15 O ATOM 985 CB GLN A 62 13.875 -2.484 3.060 1.00 19.53 C ATOM 986 CG GLN A 62 13.329 -2.839 4.523 1.00 26.38 C ATOM 987 CD GLN A 62 14.422 -3.326 5.518 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.149 -4.275 5.130 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.461 -2.667 6.686 1.00 32.71 N ATOM 0 H GLN A 62 11.677 -1.089 3.335 1.00 13.97 H new ATOM 0 HA GLN A 62 13.205 -1.877 1.031 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.487 -3.314 2.706 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.529 -1.615 3.134 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.843 -1.957 4.940 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.565 -3.612 4.435 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.802 -1.909 6.866 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.149 -2.924 7.394 1.00 32.71 H new ATOM 998 N LYS A 63 12.467 -4.451 1.036 1.00 11.73 N ATOM 999 CA LYS A 63 11.948 -5.808 1.083 1.00 11.97 C ATOM 1000 C LYS A 63 11.430 -6.430 2.425 1.00 10.41 C ATOM 1001 O LYS A 63 12.052 -6.298 3.498 1.00 9.59 O ATOM 1002 CB LYS A 63 13.027 -6.676 0.399 1.00 13.73 C ATOM 1003 CG LYS A 63 14.316 -6.962 1.057 1.00 16.98 C ATOM 1004 CD LYS A 63 15.205 -7.815 0.086 1.00 20.19 C ATOM 1005 CE LYS A 63 15.862 -7.030 -0.986 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.890 -7.784 -1.699 1.00 25.97 N ATOM 0 H LYS A 63 13.243 -4.317 0.388 1.00 11.73 H new ATOM 0 HA LYS A 63 10.984 -5.774 0.576 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.565 -7.638 0.175 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.257 -6.203 -0.556 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.823 -6.032 1.313 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.151 -7.502 1.989 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.972 -8.326 0.668 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.586 -8.586 -0.372 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.107 -6.694 -1.697 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.311 -6.137 -0.551 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.313 -7.184 -2.435 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.628 -8.083 -1.030 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.462 -8.623 -2.140 1.00 25.97 H new ATOM 1020 N GLU A 64 10.244 -7.055 2.328 1.00 10.04 N ATOM 1021 CA GLU A 64 9.551 -7.812 3.429 1.00 10.94 C ATOM 1022 C GLU A 64 8.969 -6.911 4.494 1.00 9.74 C ATOM 1023 O GLU A 64 8.637 -7.298 5.598 1.00 9.42 O ATOM 1024 CB GLU A 64 10.469 -8.914 4.039 1.00 18.31 C ATOM 1025 CG GLU A 64 10.851 -9.980 3.008 1.00 24.16 C ATOM 1026 CD GLU A 64 11.869 -10.998 3.449 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.033 -10.604 3.747 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.496 -12.197 3.630 1.00 31.72 O ATOM 0 H GLU A 64 9.709 -7.058 1.460 1.00 10.04 H new ATOM 0 HA GLU A 64 8.702 -8.313 2.963 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.374 -8.453 4.436 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.958 -9.388 4.878 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.945 -10.508 2.710 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.233 -9.476 2.120 1.00 24.16 H new ATOM 1035 N SER A 65 8.740 -5.605 4.171 1.00 6.85 N ATOM 1036 CA SER A 65 8.054 -4.566 4.988 1.00 6.90 C ATOM 1037 C SER A 65 6.674 -4.889 5.178 1.00 4.72 C ATOM 1038 O SER A 65 6.099 -5.633 4.351 1.00 3.91 O ATOM 1039 CB SER A 65 8.193 -3.190 4.294 1.00 7.28 C ATOM 1040 OG SER A 65 9.522 -2.757 4.424 1.00 10.56 O ATOM 0 H SER A 65 9.050 -5.229 3.275 1.00 6.85 H new ATOM 0 HA SER A 65 8.525 -4.527 5.970 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.921 -3.268 3.241 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.513 -2.468 4.746 1.00 7.28 H new ATOM 0 HG SER A 65 9.961 -2.782 3.548 1.00 10.56 H new ATOM 1046 N THR A 66 6.093 -4.381 6.298 1.00 4.48 N ATOM 1047 CA THR A 66 4.746 -4.525 6.619 1.00 3.80 C ATOM 1048 C THR A 66 4.087 -3.187 6.457 1.00 4.60 C ATOM 1049 O THR A 66 4.321 -2.179 7.121 1.00 5.33 O ATOM 1050 CB THR A 66 4.464 -4.937 8.059 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.190 -6.162 8.340 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.969 -5.242 8.292 1.00 3.40 C ATOM 0 H THR A 66 6.616 -3.849 6.994 1.00 4.48 H new ATOM 0 HA THR A 66 4.374 -5.311 5.962 1.00 3.80 H new ATOM 0 HB THR A 66 4.768 -4.111 8.702 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.019 -6.439 9.265 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.814 -5.531 9.331 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.378 -4.353 8.071 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.658 -6.057 7.638 1.00 3.40 H new ATOM 1060 N LEU A 67 3.058 -3.189 5.554 1.00 4.17 N ATOM 1061 CA LEU A 67 2.155 -2.025 5.376 1.00 3.85 C ATOM 1062 C LEU A 67 0.826 -2.355 5.983 1.00 3.80 C ATOM 1063 O LEU A 67 0.385 -3.489 6.181 1.00 5.54 O ATOM 1064 CB LEU A 67 1.884 -1.649 3.903 1.00 7.18 C ATOM 1065 CG LEU A 67 3.048 -1.739 2.877 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.611 -1.124 1.617 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.237 -1.005 3.384 1.00 11.66 C ATOM 0 H LEU A 67 2.841 -3.980 4.947 1.00 4.17 H new ATOM 0 HA LEU A 67 2.658 -1.182 5.851 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.078 -2.288 3.543 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.510 -0.625 3.888 1.00 7.18 H new ATOM 0 HG LEU A 67 3.314 -2.785 2.723 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.418 -1.179 0.886 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.739 -1.655 1.236 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.351 -0.080 1.793 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.046 -1.075 2.656 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.979 0.043 3.539 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.560 -1.443 4.328 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.031 -1.349 6.261 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.353 -1.568 6.820 1.00 4.17 C ATOM 1081 C HIS A 68 -2.361 -0.903 5.914 1.00 5.32 C ATOM 1082 O HIS A 68 -2.097 0.202 5.449 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.525 -1.050 8.313 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.553 -1.762 9.251 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.813 -1.475 9.189 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.758 -2.652 10.271 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.375 -2.220 10.173 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.463 -2.882 10.864 1.00 16.30 N ATOM 0 H HIS A 68 0.189 -0.366 6.099 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.511 -2.645 6.874 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.352 0.026 8.351 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.549 -1.220 8.646 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.702 -3.092 10.557 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.436 -2.267 10.368 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.633 -3.459 11.688 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.472 -1.576 5.518 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.363 -1.053 4.576 1.00 3.97 C ATOM 1098 C LEU A 69 -5.653 -0.599 5.191 1.00 5.07 C ATOM 1099 O LEU A 69 -6.339 -1.443 5.838 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.672 -2.228 3.602 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.505 -1.939 2.356 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.774 -1.228 1.200 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.991 -3.264 1.802 1.00 9.96 C ATOM 0 H LEU A 69 -3.732 -2.496 5.873 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.919 -0.183 4.093 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.720 -2.647 3.275 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.184 -3.005 4.171 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.291 -1.263 2.692 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.465 -1.076 0.371 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.402 -0.263 1.544 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.937 -1.842 0.867 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.590 -3.087 0.909 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.134 -3.888 1.546 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.598 -3.771 2.552 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.979 0.716 5.028 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.173 1.366 5.592 1.00 6.26 C ATOM 1117 C VAL A 70 -8.171 1.399 4.505 1.00 9.22 C ATOM 1118 O VAL A 70 -7.831 1.860 3.403 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.735 2.802 5.930 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.913 3.725 6.208 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.814 2.699 7.133 1.00 8.54 C ATOM 0 H VAL A 70 -5.398 1.357 4.487 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.582 0.865 6.469 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.224 3.248 5.077 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.545 4.724 6.441 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.555 3.770 5.328 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.483 3.342 7.054 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.472 3.695 7.416 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.353 2.250 7.967 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.954 2.079 6.881 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.406 0.895 4.728 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.321 0.809 3.605 1.00 16.06 C ATOM 1133 C LEU A 71 -11.636 1.527 3.912 1.00 18.09 C ATOM 1134 O LEU A 71 -12.403 1.206 4.861 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.648 -0.665 3.298 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.475 -1.525 2.837 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -9.929 -2.978 2.620 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.931 -0.876 1.471 1.00 19.57 C ATOM 0 H LEU A 71 -9.763 0.564 5.624 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.835 1.280 2.751 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.075 -1.117 4.194 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.419 -0.693 2.528 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.685 -1.550 3.587 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.081 -3.579 2.291 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.319 -3.381 3.555 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.710 -3.006 1.860 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.088 -1.460 1.101 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.727 -0.876 0.726 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.609 0.148 1.658 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.937 2.557 3.101 1.00 21.47 N ATOM 1151 CA ARG A 72 -13.126 3.427 3.130 1.00 25.83 C ATOM 1152 C ARG A 72 -14.492 2.691 3.273 1.00 27.74 C ATOM 1153 O ARG A 72 -14.895 1.865 2.426 1.00 30.65 O ATOM 1154 CB ARG A 72 -13.210 4.404 1.901 1.00 28.49 C ATOM 1155 CG ARG A 72 -14.300 5.499 1.964 1.00 31.79 C ATOM 1156 CD ARG A 72 -14.136 6.594 0.923 1.00 34.05 C ATOM 1157 NE ARG A 72 -15.096 7.558 1.313 1.00 35.08 N ATOM 1158 CZ ARG A 72 -15.311 8.664 0.592 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -14.784 8.860 -0.630 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -16.336 9.421 0.941 1.00 35.02 N ATOM 0 H ARG A 72 -11.303 2.824 2.347 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.967 3.997 4.046 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -12.242 4.892 1.786 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -13.375 3.809 1.003 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -15.277 5.033 1.835 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -14.290 5.950 2.956 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -13.127 7.006 0.928 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -14.324 6.223 -0.085 1.00 34.05 H new ATOM 0 HE ARG A 72 -15.637 7.406 2.164 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -14.188 8.146 -1.049 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -14.980 9.723 -1.138 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -16.923 9.152 1.730 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -16.540 10.275 0.421 1.00 35.02 H new ATOM 1174 N LEU A 73 -15.265 2.942 4.356 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.605 2.517 4.622 1.00 30.76 C ATOM 1176 C LEU A 73 -17.509 3.033 3.532 1.00 32.18 C ATOM 1177 O LEU A 73 -17.281 4.115 3.105 1.00 32.31 O ATOM 1178 CB LEU A 73 -17.104 3.042 6.019 1.00 30.53 C ATOM 1179 CG LEU A 73 -18.600 2.776 6.476 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -18.697 1.360 7.080 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -19.018 3.776 7.552 1.00 29.11 C ATOM 0 H LEU A 73 -14.902 3.506 5.125 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.627 1.427 4.646 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.451 2.613 6.779 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.946 4.120 6.036 1.00 30.53 H new ATOM 0 HG LEU A 73 -19.251 2.879 5.608 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -19.722 1.169 7.397 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -18.406 0.624 6.331 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.032 1.285 7.940 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -20.047 3.578 7.853 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.361 3.676 8.416 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -18.944 4.789 7.156 1.00 29.11 H new ATOM 1193 N ARG A 74 -18.522 2.271 3.025 1.00 33.82 N ATOM 1194 CA ARG A 74 -19.305 2.772 1.914 1.00 35.33 C ATOM 1195 C ARG A 74 -20.198 3.891 2.324 1.00 36.22 C ATOM 1196 O ARG A 74 -20.424 4.811 1.521 1.00 36.70 O ATOM 1197 CB ARG A 74 -20.208 1.659 1.229 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.358 0.537 0.562 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.461 1.001 -0.599 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.582 -0.116 -1.109 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.875 -0.016 -2.262 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.655 1.185 -2.792 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.533 -1.122 -2.903 1.00 41.93 N ATOM 0 H ARG A 74 -18.789 1.348 3.368 1.00 33.82 H new ATOM 0 HA ARG A 74 -18.565 3.120 1.193 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -20.866 1.217 1.977 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.846 2.124 0.477 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.730 0.077 1.325 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.031 -0.237 0.194 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.083 1.374 -1.412 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.838 1.832 -0.267 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.518 -0.977 -0.566 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.017 2.020 -2.331 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.124 1.270 -3.659 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.801 -2.032 -2.529 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.001 -1.064 -3.772 1.00 41.93 H new ATOM 1217 N GLY A 75 -20.638 3.933 3.610 1.00 36.31 N ATOM 1218 CA GLY A 75 -21.378 5.047 4.169 1.00 36.07 C ATOM 1219 C GLY A 75 -20.504 6.163 4.646 1.00 36.16 C ATOM 1220 O GLY A 75 -20.955 7.236 5.055 1.00 36.26 O ATOM 0 H GLY A 75 -20.477 3.178 4.276 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -22.066 5.431 3.416 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -21.984 4.689 5.001 1.00 36.07 H new ATOM 1224 N GLY A 76 -19.158 6.014 4.523 1.00 36.05 N ATOM 1225 CA GLY A 76 -18.219 7.044 4.916 1.00 36.19 C ATOM 1226 C GLY A 76 -17.502 7.625 3.670 1.00 36.20 C ATOM 1227 O GLY A 76 -16.275 7.674 3.767 1.00 0.00 O ATOM 1228 OXT GLY A 76 -18.126 8.240 2.797 1.00 0.00 O ATOM 0 H GLY A 76 -18.718 5.174 4.149 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -18.743 7.839 5.446 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -17.484 6.631 5.607 1.00 36.19 H new TER 1232 GLY A 76