USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 -50:sc= 1.39 USER MOD Set 1.2: A 57 SER OG : rot -48:sc= 0.258 USER MOD Set 2.1: A 25 ASN : amide:sc= -0.47 K(o=-0.47,f=-1.3) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 7 THR OG1 : rot 127:sc= 1.21 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.402 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 178:sc= 0.543 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot -178:sc= 0.494 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 1.33 (180deg=1.08) USER MOD Single : A 2 GLN : amide:sc= -0.238 X(o=-0.24,f=0.023) USER MOD Single : A 11 LYS NZ :NH3+ -148:sc= 1.18 (180deg=0.974) USER MOD Single : A 14 THR OG1 : rot -63:sc= 0.088 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= 1.8 (180deg=1.5) USER MOD Single : A 31 GLN : amide:sc= -0.844 K(o=-0.84,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ -106:sc= 0.0131 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0617 X(o=-0.062,f=-0.27) USER MOD Single : A 41 GLN : amide:sc= 0.293 K(o=0.29,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 110:sc= 0.898 USER MOD Single : A 60 ASN : amide:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 77:sc= 1.03 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.621 K(o=0.62,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.844 -6.718 -4.951 1.00 9.67 N ATOM 2 CA MET A 1 11.803 -7.454 -3.661 1.00 10.38 C ATOM 3 C MET A 1 10.380 -7.769 -3.381 1.00 9.62 C ATOM 4 O MET A 1 9.539 -7.649 -4.191 1.00 9.62 O ATOM 5 CB MET A 1 12.481 -6.461 -2.607 1.00 13.77 C ATOM 6 CG MET A 1 11.642 -5.186 -2.275 1.00 16.29 C ATOM 7 SD MET A 1 12.519 -4.035 -1.192 1.00 17.17 S ATOM 8 CE MET A 1 11.154 -2.837 -1.122 1.00 16.11 C ATOM 0 H1 MET A 1 12.577 -5.981 -4.907 1.00 9.67 H new ATOM 0 H2 MET A 1 12.065 -7.380 -5.722 1.00 9.67 H new ATOM 0 H3 MET A 1 10.919 -6.277 -5.128 1.00 9.67 H new ATOM 0 HA MET A 1 12.336 -8.404 -3.640 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.667 -7.007 -1.682 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.451 -6.150 -2.994 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.380 -4.677 -3.203 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.708 -5.485 -1.800 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.442 -1.994 -0.494 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.931 -2.480 -2.128 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.270 -3.317 -0.703 1.00 16.11 H new ATOM 20 N GLN A 2 10.054 -8.178 -2.142 1.00 9.27 N ATOM 21 CA GLN A 2 8.733 -8.578 -1.741 1.00 9.07 C ATOM 22 C GLN A 2 8.383 -7.575 -0.651 1.00 8.72 C ATOM 23 O GLN A 2 9.289 -6.971 -0.118 1.00 8.22 O ATOM 24 CB GLN A 2 8.716 -10.042 -1.257 1.00 14.46 C ATOM 25 CG GLN A 2 7.319 -10.571 -0.930 1.00 17.01 C ATOM 26 CD GLN A 2 7.429 -12.046 -0.751 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.577 -12.653 0.281 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.439 -12.751 -1.942 1.00 19.49 N ATOM 0 H GLN A 2 10.736 -8.234 -1.386 1.00 9.27 H new ATOM 0 HA GLN A 2 8.003 -8.565 -2.550 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.162 -10.673 -2.025 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.343 -10.128 -0.370 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.934 -10.103 -0.024 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.621 -10.333 -1.733 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.316 -12.259 -2.827 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.570 -13.763 -1.935 1.00 19.49 H new ATOM 37 N ILE A 3 7.083 -7.339 -0.395 1.00 5.87 N ATOM 38 CA ILE A 3 6.490 -6.763 0.805 1.00 5.07 C ATOM 39 C ILE A 3 5.180 -7.503 1.008 1.00 4.01 C ATOM 40 O ILE A 3 4.896 -8.424 0.209 1.00 4.61 O ATOM 41 CB ILE A 3 6.163 -5.231 0.690 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.221 -4.855 -0.477 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.548 -4.605 0.721 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.722 -3.451 -0.462 1.00 10.83 C ATOM 0 H ILE A 3 6.369 -7.569 -1.086 1.00 5.87 H new ATOM 0 HA ILE A 3 7.203 -6.862 1.624 1.00 5.07 H new ATOM 0 HB ILE A 3 5.541 -4.841 1.496 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.746 -5.027 -1.417 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.364 -5.528 -0.463 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.459 -3.521 0.647 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.044 -4.865 1.656 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.135 -4.979 -0.118 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.070 -3.287 -1.320 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.163 -3.273 0.457 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.567 -2.764 -0.512 1.00 10.83 H new ATOM 56 N PHE A 4 4.507 -7.213 2.104 1.00 4.55 N ATOM 57 CA PHE A 4 3.276 -7.855 2.517 1.00 4.68 C ATOM 58 C PHE A 4 2.301 -6.776 3.005 1.00 5.30 C ATOM 59 O PHE A 4 2.665 -5.708 3.348 1.00 5.58 O ATOM 60 CB PHE A 4 3.553 -8.867 3.726 1.00 4.83 C ATOM 61 CG PHE A 4 4.469 -10.059 3.347 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.949 -11.190 2.662 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.841 -10.038 3.680 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.658 -12.344 2.530 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.550 -11.223 3.540 1.00 10.61 C ATOM 66 CZ PHE A 4 5.988 -12.371 2.981 1.00 8.90 C ATOM 0 H PHE A 4 4.816 -6.494 2.758 1.00 4.55 H new ATOM 0 HA PHE A 4 2.861 -8.406 1.673 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.009 -8.318 4.550 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.601 -9.254 4.089 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.960 -11.132 2.233 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.320 -9.135 4.030 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.208 -13.220 2.088 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.576 -11.258 3.877 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.572 -13.275 2.896 1.00 8.90 H new ATOM 76 N VAL A 5 0.953 -7.043 3.006 1.00 4.44 N ATOM 77 CA VAL A 5 -0.047 -6.043 3.336 1.00 3.87 C ATOM 78 C VAL A 5 -1.016 -6.724 4.252 1.00 4.93 C ATOM 79 O VAL A 5 -1.520 -7.763 3.891 1.00 6.84 O ATOM 80 CB VAL A 5 -0.805 -5.313 2.183 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.442 -4.029 2.717 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.151 -4.910 1.075 1.00 9.13 C ATOM 0 H VAL A 5 0.562 -7.957 2.776 1.00 4.44 H new ATOM 0 HA VAL A 5 0.501 -5.209 3.773 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.558 -6.000 1.797 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.970 -3.522 1.910 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.145 -4.275 3.512 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.665 -3.373 3.110 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.402 -4.403 0.284 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.910 -4.238 1.476 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.633 -5.799 0.669 1.00 9.13 H new ATOM 92 N LYS A 6 -1.139 -6.223 5.463 1.00 6.04 N ATOM 93 CA LYS A 6 -2.196 -6.680 6.346 1.00 6.12 C ATOM 94 C LYS A 6 -3.535 -5.913 6.165 1.00 6.57 C ATOM 95 O LYS A 6 -3.550 -4.735 5.819 1.00 5.76 O ATOM 96 CB LYS A 6 -1.713 -6.639 7.791 1.00 7.45 C ATOM 97 CG LYS A 6 -0.774 -7.773 8.023 1.00 11.12 C ATOM 98 CD LYS A 6 -0.331 -7.889 9.477 1.00 14.54 C ATOM 99 CE LYS A 6 0.745 -9.003 9.785 1.00 18.84 C ATOM 100 NZ LYS A 6 0.249 -10.354 9.682 1.00 20.55 N ATOM 0 H LYS A 6 -0.529 -5.507 5.857 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.422 -7.710 6.071 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.215 -5.691 7.994 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.561 -6.707 8.473 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.254 -8.703 7.719 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.104 -7.646 7.390 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.071 -6.926 9.792 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.211 -8.082 10.090 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.582 -8.883 9.097 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.134 -8.847 10.791 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.024 -11.023 9.866 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.508 -10.500 10.380 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.127 -10.514 8.726 1.00 20.55 H new ATOM 114 N THR A 7 -4.646 -6.662 6.259 1.00 7.41 N ATOM 115 CA THR A 7 -5.964 -6.206 5.862 1.00 7.48 C ATOM 116 C THR A 7 -6.877 -5.774 7.003 1.00 8.75 C ATOM 117 O THR A 7 -6.579 -6.014 8.158 1.00 8.58 O ATOM 118 CB THR A 7 -6.697 -7.168 4.960 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.074 -8.362 5.585 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.734 -7.459 3.742 1.00 9.17 C ATOM 0 H THR A 7 -4.640 -7.616 6.621 1.00 7.41 H new ATOM 0 HA THR A 7 -5.728 -5.308 5.291 1.00 7.48 H new ATOM 0 HB THR A 7 -7.637 -6.713 4.649 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.032 -8.515 5.447 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.217 -8.153 3.054 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.514 -6.527 3.222 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.806 -7.898 4.109 1.00 9.17 H new ATOM 128 N LEU A 8 -7.991 -5.079 6.745 1.00 9.84 N ATOM 129 CA LEU A 8 -9.137 -4.894 7.637 1.00 14.15 C ATOM 130 C LEU A 8 -9.690 -6.136 8.251 1.00 17.37 C ATOM 131 O LEU A 8 -9.831 -6.186 9.455 1.00 17.01 O ATOM 132 CB LEU A 8 -10.268 -4.052 6.890 1.00 16.63 C ATOM 133 CG LEU A 8 -9.834 -2.614 6.485 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.938 -2.049 5.662 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.455 -1.693 7.683 1.00 18.59 C ATOM 0 H LEU A 8 -8.122 -4.602 5.853 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.755 -4.339 8.494 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.574 -4.592 5.994 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.143 -3.986 7.537 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.906 -2.669 5.916 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.679 -1.036 5.352 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.089 -2.671 4.780 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.855 -2.025 6.251 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.165 -0.711 7.309 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.312 -1.590 8.348 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.622 -2.133 8.231 1.00 18.59 H new ATOM 147 N THR A 9 -10.000 -7.157 7.377 1.00 18.33 N ATOM 148 CA THR A 9 -10.277 -8.522 7.771 1.00 19.24 C ATOM 149 C THR A 9 -9.236 -9.157 8.652 1.00 19.48 C ATOM 150 O THR A 9 -9.556 -9.767 9.655 1.00 23.14 O ATOM 151 CB THR A 9 -10.760 -9.291 6.574 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.839 -9.455 5.520 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.993 -8.587 5.987 1.00 19.70 C ATOM 0 H THR A 9 -10.056 -7.015 6.369 1.00 18.33 H new ATOM 0 HA THR A 9 -11.103 -8.535 8.482 1.00 19.24 H new ATOM 0 HB THR A 9 -10.962 -10.289 6.964 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.257 -9.969 4.798 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.348 -9.140 5.118 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.781 -8.547 6.739 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.725 -7.574 5.687 1.00 19.70 H new ATOM 161 N GLY A 10 -7.980 -8.985 8.266 1.00 19.43 N ATOM 162 CA GLY A 10 -6.884 -9.189 9.239 1.00 18.74 C ATOM 163 C GLY A 10 -5.910 -10.164 8.605 1.00 17.62 C ATOM 164 O GLY A 10 -4.859 -10.477 9.213 1.00 19.74 O ATOM 0 H GLY A 10 -7.687 -8.715 7.327 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.391 -8.245 9.469 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.270 -9.584 10.179 1.00 18.74 H new ATOM 168 N LYS A 11 -6.208 -10.665 7.354 1.00 13.56 N ATOM 169 CA LYS A 11 -5.264 -11.508 6.600 1.00 11.91 C ATOM 170 C LYS A 11 -4.043 -10.757 6.149 1.00 10.18 C ATOM 171 O LYS A 11 -3.911 -9.529 6.301 1.00 9.10 O ATOM 172 CB LYS A 11 -6.002 -12.213 5.420 1.00 13.43 C ATOM 173 CG LYS A 11 -6.622 -11.312 4.312 1.00 16.69 C ATOM 174 CD LYS A 11 -6.897 -12.218 3.114 1.00 17.92 C ATOM 175 CE LYS A 11 -7.419 -11.404 1.952 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.546 -12.201 0.694 1.00 21.93 N ATOM 0 H LYS A 11 -7.089 -10.490 6.870 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.890 -12.277 7.276 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -5.297 -12.894 4.943 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.800 -12.824 5.841 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.542 -10.844 4.663 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.939 -10.507 4.040 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -5.983 -12.736 2.823 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.624 -12.983 3.387 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.393 -10.990 2.214 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.751 -10.561 1.776 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.370 -11.586 -0.126 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.851 -12.975 0.702 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.505 -12.598 0.630 1.00 21.93 H new ATOM 190 N THR A 12 -3.054 -11.473 5.564 1.00 9.63 N ATOM 191 CA THR A 12 -1.822 -10.900 4.963 1.00 9.85 C ATOM 192 C THR A 12 -1.804 -11.303 3.506 1.00 11.66 C ATOM 193 O THR A 12 -1.829 -12.447 3.149 1.00 12.33 O ATOM 194 CB THR A 12 -0.543 -11.447 5.586 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.508 -11.363 6.963 1.00 10.91 O ATOM 196 CG2 THR A 12 0.608 -10.592 4.975 1.00 9.63 C ATOM 0 H THR A 12 -3.090 -12.490 5.494 1.00 9.63 H new ATOM 0 HA THR A 12 -1.845 -9.822 5.123 1.00 9.85 H new ATOM 0 HB THR A 12 -0.460 -12.512 5.369 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.351 -11.703 7.290 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.564 -10.928 5.377 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.610 -10.706 3.891 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.456 -9.543 5.229 1.00 9.63 H new ATOM 204 N ILE A 13 -1.758 -10.387 2.576 1.00 10.42 N ATOM 205 CA ILE A 13 -1.483 -10.600 1.164 1.00 11.84 C ATOM 206 C ILE A 13 0.026 -10.366 0.962 1.00 10.55 C ATOM 207 O ILE A 13 0.684 -9.590 1.694 1.00 11.92 O ATOM 208 CB ILE A 13 -2.262 -9.826 0.179 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.140 -8.315 0.478 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.686 -10.233 0.288 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.687 -7.388 -0.600 1.00 16.46 C ATOM 0 H ILE A 13 -1.921 -9.403 2.790 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.808 -11.618 0.951 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.884 -10.018 -0.825 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.660 -8.104 1.412 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.088 -8.078 0.638 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.281 -9.672 -0.433 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.776 -11.299 0.081 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.047 -10.027 1.295 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.552 -6.351 -0.291 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.152 -7.561 -1.534 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.748 -7.588 -0.747 1.00 16.46 H new ATOM 223 N THR A 14 0.652 -11.038 -0.084 1.00 9.39 N ATOM 224 CA THR A 14 2.028 -10.857 -0.591 1.00 9.63 C ATOM 225 C THR A 14 2.096 -9.925 -1.770 1.00 11.20 C ATOM 226 O THR A 14 1.265 -10.145 -2.639 1.00 11.63 O ATOM 227 CB THR A 14 2.656 -12.165 -1.040 1.00 10.38 C ATOM 228 OG1 THR A 14 2.467 -13.199 -0.055 1.00 16.30 O ATOM 229 CG2 THR A 14 4.188 -12.039 -1.125 1.00 11.66 C ATOM 0 H THR A 14 0.156 -11.758 -0.609 1.00 9.39 H new ATOM 0 HA THR A 14 2.572 -10.438 0.256 1.00 9.63 H new ATOM 0 HB THR A 14 2.190 -12.398 -1.997 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.930 -12.951 0.772 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.614 -12.989 -1.449 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.450 -11.261 -1.842 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.587 -11.778 -0.145 1.00 11.66 H new ATOM 237 N LEU A 15 3.037 -8.952 -1.886 1.00 8.29 N ATOM 238 CA LEU A 15 3.172 -8.151 -3.101 1.00 9.03 C ATOM 239 C LEU A 15 4.589 -8.218 -3.520 1.00 8.59 C ATOM 240 O LEU A 15 5.525 -8.317 -2.707 1.00 7.79 O ATOM 241 CB LEU A 15 2.879 -6.646 -2.973 1.00 11.08 C ATOM 242 CG LEU A 15 1.523 -6.278 -2.357 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.403 -4.767 -2.347 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.496 -6.881 -3.322 1.00 15.27 C ATOM 0 H LEU A 15 3.703 -8.715 -1.150 1.00 8.29 H new ATOM 0 HA LEU A 15 2.437 -8.570 -3.788 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.665 -6.192 -2.370 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.939 -6.198 -3.965 1.00 11.08 H new ATOM 0 HG LEU A 15 1.389 -6.640 -1.338 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.445 -4.481 -1.913 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.212 -4.342 -1.753 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.465 -4.390 -3.368 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.510 -6.668 -2.962 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.627 -6.445 -4.312 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.640 -7.960 -3.379 1.00 15.27 H new ATOM 256 N GLU A 16 4.816 -8.011 -4.875 1.00 11.04 N ATOM 257 CA GLU A 16 6.164 -8.038 -5.465 1.00 11.50 C ATOM 258 C GLU A 16 6.372 -6.604 -5.878 1.00 10.13 C ATOM 259 O GLU A 16 5.545 -6.081 -6.579 1.00 9.83 O ATOM 260 CB GLU A 16 6.204 -8.969 -6.670 1.00 17.22 C ATOM 261 CG GLU A 16 7.603 -9.118 -7.307 1.00 23.33 C ATOM 262 CD GLU A 16 7.701 -10.422 -8.114 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.099 -10.544 -9.226 1.00 28.90 O ATOM 264 OE2 GLU A 16 8.338 -11.360 -7.591 1.00 28.86 O ATOM 0 H GLU A 16 4.072 -7.828 -5.549 1.00 11.04 H new ATOM 0 HA GLU A 16 6.933 -8.405 -4.785 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.848 -9.954 -6.367 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.511 -8.598 -7.425 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.803 -8.267 -7.958 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.365 -9.110 -6.528 1.00 23.33 H new ATOM 271 N VAL A 17 7.317 -5.907 -5.319 1.00 8.99 N ATOM 272 CA VAL A 17 7.484 -4.487 -5.543 1.00 8.85 C ATOM 273 C VAL A 17 8.948 -4.205 -5.672 1.00 8.04 C ATOM 274 O VAL A 17 9.807 -4.927 -5.187 1.00 8.99 O ATOM 275 CB VAL A 17 7.002 -3.690 -4.352 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.471 -3.838 -4.089 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.780 -4.103 -3.046 1.00 10.54 C ATOM 0 H VAL A 17 8.007 -6.308 -4.684 1.00 8.99 H new ATOM 0 HA VAL A 17 6.918 -4.211 -6.433 1.00 8.85 H new ATOM 0 HB VAL A 17 7.201 -2.647 -4.600 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.192 -3.241 -3.221 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.917 -3.492 -4.961 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.234 -4.885 -3.901 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.415 -3.515 -2.204 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.619 -5.162 -2.846 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.845 -3.917 -3.183 1.00 10.54 H new ATOM 287 N GLU A 18 9.226 -3.091 -6.378 1.00 7.29 N ATOM 288 CA GLU A 18 10.636 -2.626 -6.398 1.00 7.08 C ATOM 289 C GLU A 18 10.716 -1.419 -5.449 1.00 6.45 C ATOM 290 O GLU A 18 9.660 -0.821 -5.053 1.00 5.28 O ATOM 291 CB GLU A 18 10.964 -2.317 -7.901 1.00 10.28 C ATOM 292 CG GLU A 18 11.172 -3.649 -8.740 1.00 12.65 C ATOM 293 CD GLU A 18 12.438 -4.338 -8.392 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.558 -3.823 -8.686 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.323 -5.410 -7.769 1.00 14.33 O ATOM 0 H GLU A 18 8.556 -2.531 -6.905 1.00 7.29 H new ATOM 0 HA GLU A 18 11.376 -3.345 -6.046 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.154 -1.734 -8.338 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.864 -1.705 -7.959 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.333 -4.322 -8.563 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.171 -3.410 -9.804 1.00 12.65 H new ATOM 302 N PRO A 19 11.913 -0.907 -5.071 1.00 7.24 N ATOM 303 CA PRO A 19 11.988 0.231 -4.136 1.00 7.07 C ATOM 304 C PRO A 19 11.714 1.551 -4.836 1.00 6.65 C ATOM 305 O PRO A 19 11.381 2.568 -4.199 1.00 6.37 O ATOM 306 CB PRO A 19 13.506 0.225 -3.648 1.00 7.61 C ATOM 307 CG PRO A 19 14.250 -0.647 -4.654 1.00 8.16 C ATOM 308 CD PRO A 19 13.188 -1.591 -5.240 1.00 7.49 C ATOM 0 HA PRO A 19 11.256 0.136 -3.334 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.915 1.235 -3.625 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.593 -0.178 -2.639 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.710 -0.041 -5.434 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.051 -1.208 -4.172 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.385 -1.796 -6.292 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.189 -2.550 -4.722 1.00 7.49 H new ATOM 316 N SER A 20 11.711 1.617 -6.155 1.00 6.80 N ATOM 317 CA SER A 20 11.381 2.762 -6.894 1.00 6.28 C ATOM 318 C SER A 20 9.979 2.712 -7.415 1.00 8.45 C ATOM 319 O SER A 20 9.580 3.505 -8.294 1.00 7.26 O ATOM 320 CB SER A 20 12.216 2.765 -8.178 1.00 8.57 C ATOM 321 OG SER A 20 13.621 2.828 -8.194 1.00 11.13 O ATOM 0 H SER A 20 11.955 0.820 -6.743 1.00 6.80 H new ATOM 0 HA SER A 20 11.538 3.614 -6.232 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.944 1.861 -8.722 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.865 3.611 -8.769 1.00 8.57 H new ATOM 0 HG SER A 20 13.938 2.816 -9.121 1.00 11.13 H new ATOM 327 N ASP A 21 9.109 1.771 -7.004 1.00 7.50 N ATOM 328 CA ASP A 21 7.700 1.771 -7.261 1.00 7.70 C ATOM 329 C ASP A 21 7.017 2.921 -6.470 1.00 7.08 C ATOM 330 O ASP A 21 7.460 3.228 -5.334 1.00 8.11 O ATOM 331 CB ASP A 21 6.970 0.511 -6.939 1.00 11.00 C ATOM 332 CG ASP A 21 7.387 -0.719 -7.841 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.953 -0.433 -8.934 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.993 -1.867 -7.535 1.00 18.03 O ATOM 0 H ASP A 21 9.407 0.962 -6.460 1.00 7.50 H new ATOM 0 HA ASP A 21 7.635 1.896 -8.342 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.145 0.258 -5.893 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.900 0.684 -7.050 1.00 11.00 H new ATOM 339 N THR A 22 5.901 3.544 -6.979 1.00 5.37 N ATOM 340 CA THR A 22 5.146 4.549 -6.241 1.00 6.01 C ATOM 341 C THR A 22 4.063 3.819 -5.510 1.00 8.01 C ATOM 342 O THR A 22 3.713 2.717 -5.832 1.00 8.11 O ATOM 343 CB THR A 22 4.475 5.591 -7.143 1.00 8.92 C ATOM 344 OG1 THR A 22 3.809 4.977 -8.256 1.00 10.22 O ATOM 345 CG2 THR A 22 5.541 6.505 -7.703 1.00 9.65 C ATOM 0 H THR A 22 5.525 3.347 -7.906 1.00 5.37 H new ATOM 0 HA THR A 22 5.837 5.083 -5.589 1.00 6.01 H new ATOM 0 HB THR A 22 3.744 6.133 -6.543 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.391 5.669 -8.809 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.078 7.252 -8.347 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.060 7.003 -6.884 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.255 5.919 -8.282 1.00 9.65 H new ATOM 353 N ILE A 23 3.481 4.494 -4.471 1.00 8.32 N ATOM 354 CA ILE A 23 2.333 4.024 -3.680 1.00 9.92 C ATOM 355 C ILE A 23 1.120 3.875 -4.586 1.00 10.01 C ATOM 356 O ILE A 23 0.501 2.819 -4.514 1.00 8.71 O ATOM 357 CB ILE A 23 2.150 4.877 -2.361 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.422 5.030 -1.515 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.929 4.445 -1.549 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.942 3.717 -1.049 1.00 12.30 C ATOM 0 H ILE A 23 3.819 5.406 -4.164 1.00 8.32 H new ATOM 0 HA ILE A 23 2.508 3.023 -3.286 1.00 9.92 H new ATOM 0 HB ILE A 23 1.946 5.890 -2.709 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.189 5.536 -2.101 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.210 5.663 -0.653 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.850 5.063 -0.654 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.030 4.564 -2.153 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.036 3.399 -1.260 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.842 3.872 -0.454 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.186 3.222 -0.440 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.180 3.093 -1.911 1.00 12.30 H new ATOM 372 N GLU A 24 0.890 4.821 -5.492 1.00 9.54 N ATOM 373 CA GLU A 24 -0.114 4.671 -6.597 1.00 11.81 C ATOM 374 C GLU A 24 -0.020 3.261 -7.322 1.00 11.14 C ATOM 375 O GLU A 24 -1.030 2.551 -7.494 1.00 10.62 O ATOM 376 CB GLU A 24 0.022 5.874 -7.578 1.00 19.24 C ATOM 377 CG GLU A 24 -1.136 5.863 -8.612 1.00 27.76 C ATOM 378 CD GLU A 24 -2.386 6.372 -8.013 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.533 7.601 -7.666 1.00 34.80 O ATOM 380 OE2 GLU A 24 -3.314 5.573 -7.921 1.00 36.51 O ATOM 0 H GLU A 24 1.379 5.716 -5.501 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.116 4.690 -6.168 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.010 6.810 -7.019 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.980 5.823 -8.095 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.866 6.475 -9.473 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.291 4.848 -8.979 1.00 27.76 H new ATOM 387 N ASN A 25 1.224 2.843 -7.703 1.00 9.43 N ATOM 388 CA ASN A 25 1.520 1.506 -8.193 1.00 10.96 C ATOM 389 C ASN A 25 1.251 0.343 -7.209 1.00 9.68 C ATOM 390 O ASN A 25 0.522 -0.594 -7.668 1.00 9.33 O ATOM 391 CB ASN A 25 2.995 1.396 -8.730 1.00 16.78 C ATOM 392 CG ASN A 25 3.107 0.372 -9.783 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.978 -0.535 -9.661 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.359 0.462 -10.903 1.00 24.70 N ATOM 0 H ASN A 25 2.043 3.450 -7.669 1.00 9.43 H new ATOM 0 HA ASN A 25 0.802 1.381 -9.003 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.314 2.361 -9.123 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.666 1.149 -7.907 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.494 -0.206 -11.662 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.659 1.198 -10.991 1.00 24.70 H new ATOM 401 N VAL A 26 1.654 0.433 -5.966 1.00 6.52 N ATOM 402 CA VAL A 26 1.430 -0.607 -4.904 1.00 5.53 C ATOM 403 C VAL A 26 -0.032 -0.738 -4.645 1.00 4.42 C ATOM 404 O VAL A 26 -0.461 -1.860 -4.280 1.00 3.40 O ATOM 405 CB VAL A 26 2.228 -0.160 -3.718 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.864 -0.971 -2.484 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.699 -0.298 -4.107 1.00 8.12 C ATOM 0 H VAL A 26 2.166 1.244 -5.620 1.00 6.52 H new ATOM 0 HA VAL A 26 1.761 -1.605 -5.191 1.00 5.53 H new ATOM 0 HB VAL A 26 2.014 0.876 -3.454 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.456 -0.628 -1.636 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.805 -0.841 -2.263 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.070 -2.025 -2.668 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.327 0.017 -3.273 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.915 -1.338 -4.351 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.906 0.329 -4.974 1.00 8.12 H new ATOM 417 N LYS A 27 -0.832 0.371 -4.739 1.00 2.64 N ATOM 418 CA LYS A 27 -2.302 0.347 -4.678 1.00 4.14 C ATOM 419 C LYS A 27 -2.878 -0.506 -5.761 1.00 5.58 C ATOM 420 O LYS A 27 -3.758 -1.392 -5.596 1.00 4.11 O ATOM 421 CB LYS A 27 -2.926 1.749 -4.603 1.00 3.97 C ATOM 422 CG LYS A 27 -2.654 2.392 -3.231 1.00 7.45 C ATOM 423 CD LYS A 27 -3.369 3.762 -3.121 1.00 9.02 C ATOM 424 CE LYS A 27 -3.061 4.322 -1.731 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.520 5.674 -1.532 1.00 15.47 N ATOM 0 H LYS A 27 -0.453 1.310 -4.860 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.575 -0.124 -3.734 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.516 2.378 -5.393 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.001 1.684 -4.773 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.001 1.730 -2.438 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.581 2.523 -3.091 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.018 4.443 -3.897 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.444 3.647 -3.260 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.520 3.678 -0.981 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.984 4.286 -1.566 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.992 6.108 -0.748 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.365 6.225 -2.401 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.535 5.666 -1.304 1.00 15.47 H new ATOM 439 N ALA A 28 -2.466 -0.320 -7.051 1.00 6.61 N ATOM 440 CA ALA A 28 -2.957 -1.131 -8.171 1.00 7.74 C ATOM 441 C ALA A 28 -2.632 -2.590 -8.031 1.00 9.17 C ATOM 442 O ALA A 28 -3.401 -3.383 -8.483 1.00 11.45 O ATOM 443 CB ALA A 28 -2.330 -0.591 -9.531 1.00 7.68 C ATOM 0 H ALA A 28 -1.790 0.393 -7.325 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.043 -1.039 -8.174 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.694 -1.193 -10.364 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.623 0.448 -9.679 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.243 -0.658 -9.483 1.00 7.68 H new ATOM 449 N LYS A 29 -1.394 -2.938 -7.432 1.00 8.96 N ATOM 450 CA LYS A 29 -1.045 -4.302 -7.115 1.00 7.90 C ATOM 451 C LYS A 29 -2.073 -4.877 -6.208 1.00 6.92 C ATOM 452 O LYS A 29 -2.440 -6.054 -6.286 1.00 6.87 O ATOM 453 CB LYS A 29 0.383 -4.513 -6.527 1.00 10.28 C ATOM 454 CG LYS A 29 1.481 -4.074 -7.573 1.00 14.94 C ATOM 455 CD LYS A 29 2.896 -3.994 -7.004 1.00 19.69 C ATOM 456 CE LYS A 29 3.751 -3.126 -8.015 1.00 22.63 C ATOM 457 NZ LYS A 29 3.854 -3.639 -9.392 1.00 24.98 N ATOM 0 H LYS A 29 -0.675 -2.257 -7.187 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.024 -4.828 -8.070 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.494 -3.935 -5.610 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.523 -5.561 -6.262 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.476 -4.779 -8.405 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.210 -3.100 -7.979 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.889 -3.538 -6.014 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.324 -4.990 -6.893 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.321 -2.125 -8.054 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.759 -3.025 -7.612 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.435 -2.991 -9.961 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.296 -4.580 -9.380 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.904 -3.708 -9.809 1.00 24.98 H new ATOM 471 N ILE A 30 -2.481 -4.074 -5.212 1.00 4.57 N ATOM 472 CA ILE A 30 -3.530 -4.530 -4.324 1.00 5.58 C ATOM 473 C ILE A 30 -4.840 -4.719 -5.012 1.00 7.26 C ATOM 474 O ILE A 30 -5.586 -5.638 -4.661 1.00 9.46 O ATOM 475 CB ILE A 30 -3.574 -3.707 -3.067 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.279 -3.752 -2.252 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.856 -3.937 -2.205 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.258 -2.711 -1.161 1.00 2.00 C ATOM 0 H ILE A 30 -2.110 -3.144 -5.016 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.279 -5.539 -3.997 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.651 -2.678 -3.419 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.164 -4.742 -1.810 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.428 -3.598 -2.916 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.814 -3.308 -1.316 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.739 -3.679 -2.790 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.911 -4.984 -1.907 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.320 -2.781 -0.609 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.346 -1.719 -1.603 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.093 -2.880 -0.481 1.00 2.00 H new ATOM 490 N GLN A 31 -5.154 -3.922 -6.046 1.00 7.06 N ATOM 491 CA GLN A 31 -6.361 -4.047 -6.781 1.00 8.67 C ATOM 492 C GLN A 31 -6.426 -5.369 -7.491 1.00 10.90 C ATOM 493 O GLN A 31 -7.411 -6.086 -7.485 1.00 9.63 O ATOM 494 CB GLN A 31 -6.529 -2.868 -7.869 1.00 9.12 C ATOM 495 CG GLN A 31 -7.873 -2.949 -8.649 1.00 10.76 C ATOM 496 CD GLN A 31 -8.009 -1.756 -9.615 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.937 -1.277 -10.025 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.165 -1.205 -9.934 1.00 14.76 N ATOM 0 H GLN A 31 -4.548 -3.171 -6.376 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.172 -3.977 -6.056 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.465 -1.904 -7.365 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.701 -2.913 -8.577 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.920 -3.884 -9.207 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.708 -2.954 -7.948 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.035 -1.610 -9.590 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.188 -0.374 -10.525 1.00 14.76 H new ATOM 507 N ASP A 32 -5.279 -5.830 -8.107 1.00 10.93 N ATOM 508 CA ASP A 32 -5.058 -7.105 -8.668 1.00 14.01 C ATOM 509 C ASP A 32 -5.343 -8.212 -7.644 1.00 14.04 C ATOM 510 O ASP A 32 -6.036 -9.207 -7.956 1.00 13.39 O ATOM 511 CB ASP A 32 -3.540 -7.170 -9.182 1.00 18.01 C ATOM 512 CG ASP A 32 -3.348 -8.327 -10.172 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.032 -8.411 -11.224 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.508 -9.175 -9.802 1.00 25.17 O ATOM 0 H ASP A 32 -4.459 -5.231 -8.201 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.737 -7.265 -9.505 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.273 -6.228 -9.661 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.869 -7.297 -8.333 1.00 18.01 H new ATOM 519 N LYS A 33 -4.891 -8.113 -6.363 1.00 14.22 N ATOM 520 CA LYS A 33 -5.188 -9.136 -5.362 1.00 14.00 C ATOM 521 C LYS A 33 -6.645 -9.105 -4.877 1.00 12.37 C ATOM 522 O LYS A 33 -7.392 -10.060 -4.942 1.00 12.17 O ATOM 523 CB LYS A 33 -4.322 -8.850 -4.094 1.00 18.62 C ATOM 524 CG LYS A 33 -2.855 -9.221 -4.264 1.00 24.00 C ATOM 525 CD LYS A 33 -2.652 -10.719 -4.288 1.00 27.61 C ATOM 526 CE LYS A 33 -1.198 -11.192 -4.138 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.301 -10.818 -5.244 1.00 30.06 N ATOM 0 H LYS A 33 -4.326 -7.337 -6.017 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.985 -10.098 -5.833 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.394 -7.791 -3.846 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.733 -9.404 -3.250 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.476 -8.788 -5.190 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.274 -8.789 -3.449 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.244 -11.161 -3.487 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.047 -11.107 -5.227 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.794 -10.786 -3.211 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.194 -12.277 -4.039 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.099 -11.656 -5.826 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.758 -10.091 -5.831 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.589 -10.443 -4.858 1.00 30.06 H new ATOM 541 N GLU A 34 -7.064 -7.976 -4.326 1.00 10.11 N ATOM 542 CA GLU A 34 -8.309 -7.896 -3.596 1.00 10.07 C ATOM 543 C GLU A 34 -9.388 -7.099 -4.243 1.00 9.32 C ATOM 544 O GLU A 34 -10.522 -6.963 -3.690 1.00 11.61 O ATOM 545 CB GLU A 34 -7.968 -7.251 -2.200 1.00 14.77 C ATOM 546 CG GLU A 34 -7.111 -8.155 -1.246 1.00 18.75 C ATOM 547 CD GLU A 34 -7.972 -9.289 -0.761 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.814 -9.148 0.164 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.869 -10.426 -1.293 1.00 25.19 O ATOM 0 H GLU A 34 -6.550 -7.096 -4.375 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.711 -8.907 -3.535 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.433 -6.317 -2.369 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.901 -6.998 -1.696 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.238 -8.541 -1.773 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.742 -7.572 -0.402 1.00 18.75 H new ATOM 556 N GLY A 35 -9.183 -6.516 -5.409 1.00 7.22 N ATOM 557 CA GLY A 35 -10.276 -5.947 -6.171 1.00 6.29 C ATOM 558 C GLY A 35 -10.835 -4.613 -5.795 1.00 6.93 C ATOM 559 O GLY A 35 -11.627 -3.999 -6.510 1.00 7.41 O ATOM 0 H GLY A 35 -8.267 -6.424 -5.849 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.948 -5.880 -7.208 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.098 -6.662 -6.142 1.00 6.29 H new ATOM 563 N ILE A 36 -10.384 -3.970 -4.661 1.00 5.86 N ATOM 564 CA ILE A 36 -10.690 -2.638 -4.250 1.00 6.07 C ATOM 565 C ILE A 36 -10.052 -1.573 -5.203 1.00 6.36 C ATOM 566 O ILE A 36 -8.882 -1.813 -5.555 1.00 6.18 O ATOM 567 CB ILE A 36 -10.076 -2.382 -2.849 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.313 -3.592 -1.938 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.628 -1.015 -2.312 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.747 -3.331 -0.527 1.00 9.49 C ATOM 0 H ILE A 36 -9.762 -4.437 -4.001 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.776 -2.544 -4.257 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.991 -2.282 -2.889 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.381 -3.802 -1.874 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.840 -4.475 -2.367 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.208 -0.815 -1.326 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.345 -0.215 -2.996 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.715 -1.064 -2.240 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.926 -4.202 0.104 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.675 -3.145 -0.594 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.240 -2.461 -0.092 1.00 9.49 H new ATOM 582 N PRO A 37 -10.717 -0.492 -5.660 1.00 8.65 N ATOM 583 CA PRO A 37 -10.098 0.439 -6.627 1.00 9.18 C ATOM 584 C PRO A 37 -9.020 1.286 -5.922 1.00 9.85 C ATOM 585 O PRO A 37 -9.242 1.736 -4.747 1.00 8.51 O ATOM 586 CB PRO A 37 -11.222 1.385 -6.946 1.00 11.42 C ATOM 587 CG PRO A 37 -12.534 0.602 -6.848 1.00 9.27 C ATOM 588 CD PRO A 37 -12.197 -0.392 -5.670 1.00 8.33 C ATOM 0 HA PRO A 37 -9.656 -0.080 -7.478 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.225 2.224 -6.250 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.099 1.801 -7.946 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.383 1.245 -6.616 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.774 0.079 -7.774 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.573 -0.017 -4.718 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.657 -1.367 -5.833 1.00 8.33 H new ATOM 596 N PRO A 38 -7.872 1.527 -6.439 1.00 8.71 N ATOM 597 CA PRO A 38 -6.931 2.434 -5.843 1.00 9.08 C ATOM 598 C PRO A 38 -7.432 3.724 -5.301 1.00 9.28 C ATOM 599 O PRO A 38 -6.788 4.195 -4.341 1.00 6.50 O ATOM 600 CB PRO A 38 -5.793 2.595 -6.943 1.00 10.31 C ATOM 601 CG PRO A 38 -5.918 1.291 -7.739 1.00 10.81 C ATOM 602 CD PRO A 38 -7.385 0.983 -7.666 1.00 12.00 C ATOM 0 HA PRO A 38 -6.580 2.006 -4.904 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.956 3.471 -7.571 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.806 2.704 -6.494 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.583 1.415 -8.769 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.317 0.493 -7.302 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.912 1.418 -8.515 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.554 -0.093 -7.703 1.00 12.00 H new ATOM 610 N ASP A 39 -8.549 4.390 -5.812 1.00 11.20 N ATOM 611 CA ASP A 39 -8.986 5.679 -5.313 1.00 14.96 C ATOM 612 C ASP A 39 -9.574 5.457 -3.910 1.00 13.99 C ATOM 613 O ASP A 39 -9.640 6.393 -3.129 1.00 13.75 O ATOM 614 CB ASP A 39 -9.981 6.209 -6.312 1.00 24.16 C ATOM 615 CG ASP A 39 -10.435 7.585 -6.010 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.595 8.448 -5.804 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.673 7.815 -5.993 1.00 35.55 O ATOM 0 H ASP A 39 -9.129 4.019 -6.565 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.187 6.413 -5.211 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.533 6.191 -7.306 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.846 5.546 -6.340 1.00 24.16 H new ATOM 622 N GLN A 40 -10.071 4.240 -3.645 1.00 11.60 N ATOM 623 CA GLN A 40 -10.655 3.852 -2.355 1.00 10.76 C ATOM 624 C GLN A 40 -9.609 3.393 -1.326 1.00 8.01 C ATOM 625 O GLN A 40 -9.850 3.256 -0.133 1.00 8.96 O ATOM 626 CB GLN A 40 -11.715 2.776 -2.505 1.00 11.14 C ATOM 627 CG GLN A 40 -12.902 3.179 -3.438 1.00 14.85 C ATOM 628 CD GLN A 40 -13.669 4.382 -2.899 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.841 4.578 -1.706 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.089 5.306 -3.823 1.00 18.16 N ATOM 0 H GLN A 40 -10.078 3.487 -4.333 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.120 4.763 -1.977 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.248 1.873 -2.898 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.109 2.529 -1.519 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.520 3.409 -4.433 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.582 2.334 -3.545 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.942 5.136 -4.818 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.548 6.163 -3.515 1.00 18.16 H new ATOM 639 N GLN A 41 -8.353 3.040 -1.721 1.00 6.52 N ATOM 640 CA GLN A 41 -7.370 2.459 -0.842 1.00 3.87 C ATOM 641 C GLN A 41 -6.571 3.573 -0.295 1.00 4.79 C ATOM 642 O GLN A 41 -6.046 4.390 -1.067 1.00 6.34 O ATOM 643 CB GLN A 41 -6.409 1.450 -1.464 1.00 4.20 C ATOM 644 CG GLN A 41 -7.031 0.367 -2.275 1.00 3.20 C ATOM 645 CD GLN A 41 -6.031 -0.547 -2.871 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.918 -0.617 -2.295 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.324 -1.240 -3.959 1.00 7.13 N ATOM 0 H GLN A 41 -8.018 3.164 -2.677 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.930 1.890 -0.100 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.705 1.991 -2.096 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.829 0.990 -0.664 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.712 -0.207 -1.646 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.630 0.812 -3.070 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.244 -1.148 -4.390 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.630 -1.866 -4.367 1.00 7.13 H new ATOM 656 N ARG A 42 -6.274 3.513 1.021 1.00 5.73 N ATOM 657 CA ARG A 42 -5.189 4.289 1.709 1.00 6.97 C ATOM 658 C ARG A 42 -4.295 3.298 2.410 1.00 7.15 C ATOM 659 O ARG A 42 -4.750 2.266 2.852 1.00 7.33 O ATOM 660 CB ARG A 42 -5.741 5.259 2.795 1.00 13.23 C ATOM 661 CG ARG A 42 -6.233 6.564 2.231 1.00 21.27 C ATOM 662 CD ARG A 42 -6.506 7.619 3.245 1.00 26.14 C ATOM 663 NE ARG A 42 -6.830 8.935 2.482 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.666 9.881 2.938 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.554 9.684 3.871 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.668 11.114 2.412 1.00 36.39 N ATOM 0 H ARG A 42 -6.790 2.910 1.662 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.670 4.880 0.954 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.557 4.771 3.328 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.958 5.459 3.526 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.493 6.941 1.525 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.146 6.378 1.666 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.342 7.330 3.882 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.642 7.757 3.896 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.380 9.089 1.580 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.645 8.764 4.302 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.158 10.450 4.170 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.027 11.346 1.653 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.310 11.821 2.771 1.00 36.39 H new ATOM 680 N LEU A 43 -2.964 3.462 2.391 1.00 4.65 N ATOM 681 CA LEU A 43 -1.973 2.569 2.870 1.00 3.51 C ATOM 682 C LEU A 43 -1.226 3.233 4.031 1.00 5.56 C ATOM 683 O LEU A 43 -0.789 4.372 3.983 1.00 4.19 O ATOM 684 CB LEU A 43 -1.015 2.068 1.784 1.00 3.74 C ATOM 685 CG LEU A 43 -1.643 1.467 0.536 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.564 0.939 -0.398 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.544 0.302 0.879 1.00 6.41 C ATOM 0 H LEU A 43 -2.548 4.307 2.000 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.478 1.670 3.223 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.383 2.902 1.478 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.360 1.319 2.229 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.220 2.260 0.060 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.029 0.512 -1.287 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.096 1.756 -0.691 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.015 0.170 0.113 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.977 -0.105 -0.035 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.963 -0.472 1.381 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.342 0.642 1.539 1.00 6.41 H new ATOM 699 N ILE A 44 -1.075 2.458 5.184 1.00 4.58 N ATOM 700 CA ILE A 44 -0.322 2.916 6.405 1.00 5.55 C ATOM 701 C ILE A 44 0.933 2.072 6.682 1.00 5.46 C ATOM 702 O ILE A 44 0.951 0.837 6.494 1.00 6.04 O ATOM 703 CB ILE A 44 -1.341 2.936 7.597 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.342 4.029 7.318 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.553 3.193 8.877 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.434 4.123 8.336 1.00 13.90 C ATOM 0 H ILE A 44 -1.468 1.521 5.277 1.00 4.58 H new ATOM 0 HA ILE A 44 0.076 3.919 6.251 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.879 1.995 7.710 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.819 4.984 7.271 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.786 3.860 6.337 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.235 3.213 9.727 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.180 2.399 9.019 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.039 4.151 8.802 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.114 4.931 8.067 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.984 3.182 8.368 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.001 4.324 9.316 1.00 13.90 H new ATOM 718 N PHE A 45 2.027 2.741 7.014 1.00 6.75 N ATOM 719 CA PHE A 45 3.193 2.034 7.495 1.00 4.70 C ATOM 720 C PHE A 45 3.929 3.100 8.312 1.00 6.34 C ATOM 721 O PHE A 45 3.765 4.310 8.081 1.00 5.45 O ATOM 722 CB PHE A 45 4.036 1.621 6.269 1.00 5.51 C ATOM 723 CG PHE A 45 5.319 0.964 6.613 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.313 -0.295 7.224 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.510 1.665 6.533 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.505 -0.945 7.493 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.741 1.051 6.776 1.00 6.64 C ATOM 728 CZ PHE A 45 7.760 -0.267 7.383 1.00 6.84 C ATOM 0 H PHE A 45 2.127 3.755 6.959 1.00 6.75 H new ATOM 0 HA PHE A 45 2.978 1.137 8.075 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.448 0.945 5.648 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.243 2.507 5.668 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.375 -0.761 7.487 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.487 2.714 6.276 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.487 -1.983 7.791 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.663 1.549 6.516 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.678 -0.715 7.735 1.00 6.84 H new ATOM 738 N ALA A 46 4.719 2.714 9.335 1.00 6.53 N ATOM 739 CA ALA A 46 5.511 3.540 10.208 1.00 7.15 C ATOM 740 C ALA A 46 4.693 4.541 11.033 1.00 9.00 C ATOM 741 O ALA A 46 5.183 5.566 11.536 1.00 11.15 O ATOM 742 CB ALA A 46 6.611 4.243 9.365 1.00 8.99 C ATOM 0 H ALA A 46 4.812 1.727 9.574 1.00 6.53 H new ATOM 0 HA ALA A 46 5.970 2.891 10.954 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.220 4.873 10.014 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.243 3.491 8.892 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.143 4.859 8.597 1.00 8.99 H new ATOM 748 N GLY A 47 3.384 4.222 11.215 1.00 9.35 N ATOM 749 CA GLY A 47 2.372 5.059 11.853 1.00 11.68 C ATOM 750 C GLY A 47 2.031 6.304 11.116 1.00 11.14 C ATOM 751 O GLY A 47 1.582 7.274 11.758 1.00 13.93 O ATOM 0 H GLY A 47 3.004 3.329 10.901 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.464 4.470 11.982 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.721 5.329 12.850 1.00 11.68 H new ATOM 755 N LYS A 48 2.160 6.281 9.759 1.00 10.47 N ATOM 756 CA LYS A 48 1.910 7.428 8.967 1.00 8.82 C ATOM 757 C LYS A 48 1.129 7.091 7.690 1.00 7.68 C ATOM 758 O LYS A 48 1.129 5.960 7.242 1.00 6.47 O ATOM 759 CB LYS A 48 3.171 8.210 8.675 1.00 9.74 C ATOM 760 CG LYS A 48 4.206 7.391 7.970 1.00 14.14 C ATOM 761 CD LYS A 48 5.331 8.285 7.339 1.00 16.32 C ATOM 762 CE LYS A 48 6.215 8.987 8.359 1.00 20.04 C ATOM 763 NZ LYS A 48 7.037 10.099 7.776 1.00 23.92 N ATOM 0 H LYS A 48 2.439 5.456 9.228 1.00 10.47 H new ATOM 0 HA LYS A 48 1.271 8.081 9.561 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.922 9.078 8.065 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.586 8.586 9.610 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.653 6.688 8.673 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.730 6.800 7.187 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.957 7.664 6.699 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.867 9.036 6.699 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.588 9.388 9.156 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.881 8.255 8.816 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.614 10.533 8.524 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.660 9.719 7.035 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.407 10.817 7.364 1.00 23.92 H new ATOM 777 N GLN A 49 0.389 8.119 7.079 1.00 8.89 N ATOM 778 CA GLN A 49 -0.563 7.968 6.009 1.00 7.18 C ATOM 779 C GLN A 49 0.144 8.335 4.661 1.00 8.23 C ATOM 780 O GLN A 49 0.611 9.476 4.409 1.00 9.70 O ATOM 781 CB GLN A 49 -1.857 8.890 6.274 1.00 11.67 C ATOM 782 CG GLN A 49 -2.588 8.619 7.587 1.00 15.82 C ATOM 783 CD GLN A 49 -3.944 9.299 7.596 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.013 8.689 7.753 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.911 10.677 7.538 1.00 20.67 N ATOM 0 H GLN A 49 0.486 9.091 7.372 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.913 6.937 5.956 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.549 9.935 6.257 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.558 8.751 5.451 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.713 7.545 7.724 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.989 8.980 8.423 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.022 11.161 7.408 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.775 11.212 7.625 1.00 20.67 H new ATOM 794 N LEU A 50 0.310 7.333 3.791 1.00 6.51 N ATOM 795 CA LEU A 50 1.276 7.550 2.722 1.00 7.41 C ATOM 796 C LEU A 50 0.725 8.321 1.536 1.00 8.27 C ATOM 797 O LEU A 50 -0.432 8.055 1.145 1.00 8.34 O ATOM 798 CB LEU A 50 1.974 6.210 2.346 1.00 7.13 C ATOM 799 CG LEU A 50 2.579 5.425 3.502 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.492 4.362 2.914 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.447 6.260 4.424 1.00 9.11 C ATOM 0 H LEU A 50 -0.171 6.434 3.801 1.00 6.51 H new ATOM 0 HA LEU A 50 2.046 8.219 3.107 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.247 5.574 1.842 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.764 6.424 1.626 1.00 7.13 H new ATOM 0 HG LEU A 50 1.744 5.031 4.081 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.941 3.782 3.720 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.913 3.700 2.270 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.278 4.840 2.330 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.841 5.630 5.222 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.274 6.688 3.857 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.850 7.063 4.857 1.00 9.11 H new ATOM 813 N GLU A 51 1.532 9.180 0.916 1.00 9.43 N ATOM 814 CA GLU A 51 1.224 9.881 -0.263 1.00 11.90 C ATOM 815 C GLU A 51 1.416 9.069 -1.528 1.00 11.49 C ATOM 816 O GLU A 51 2.416 8.350 -1.600 1.00 9.88 O ATOM 817 CB GLU A 51 1.892 11.225 -0.316 1.00 16.56 C ATOM 818 CG GLU A 51 1.267 12.217 -1.288 1.00 26.06 C ATOM 819 CD GLU A 51 2.099 13.537 -1.274 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.847 14.426 -0.437 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.999 13.612 -2.154 1.00 33.44 O ATOM 0 H GLU A 51 2.465 9.396 1.268 1.00 9.43 H new ATOM 0 HA GLU A 51 0.151 10.070 -0.220 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.878 11.660 0.683 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.938 11.083 -0.587 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.246 11.796 -2.293 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.234 12.420 -1.006 1.00 26.06 H new ATOM 828 N ASP A 52 0.473 9.095 -2.510 1.00 12.71 N ATOM 829 CA ASP A 52 0.351 8.291 -3.666 1.00 16.56 C ATOM 830 C ASP A 52 1.513 8.359 -4.631 1.00 15.83 C ATOM 831 O ASP A 52 2.094 7.336 -5.061 1.00 17.21 O ATOM 832 CB ASP A 52 -0.908 8.597 -4.419 1.00 21.05 C ATOM 833 CG ASP A 52 -2.032 8.355 -3.553 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.385 9.322 -2.821 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.626 7.297 -3.495 1.00 28.37 O ATOM 0 H ASP A 52 -0.287 9.773 -2.464 1.00 12.71 H new ATOM 0 HA ASP A 52 0.333 7.277 -3.266 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.905 9.634 -4.754 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.976 7.974 -5.311 1.00 21.05 H new ATOM 840 N GLY A 53 1.861 9.604 -5.018 1.00 15.00 N ATOM 841 CA GLY A 53 3.011 10.027 -5.839 1.00 11.77 C ATOM 842 C GLY A 53 4.393 9.950 -5.174 1.00 11.10 C ATOM 843 O GLY A 53 5.294 10.656 -5.583 1.00 11.25 O ATOM 0 H GLY A 53 1.296 10.406 -4.740 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.031 9.413 -6.740 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.843 11.056 -6.158 1.00 11.77 H new ATOM 847 N ARG A 54 4.580 9.100 -4.184 1.00 8.53 N ATOM 848 CA ARG A 54 5.876 8.992 -3.526 1.00 9.05 C ATOM 849 C ARG A 54 6.313 7.565 -3.701 1.00 8.96 C ATOM 850 O ARG A 54 5.491 6.663 -3.910 1.00 11.60 O ATOM 851 CB ARG A 54 5.848 9.254 -2.027 1.00 7.97 C ATOM 852 CG ARG A 54 5.389 10.757 -1.784 1.00 9.62 C ATOM 853 CD ARG A 54 6.316 11.813 -2.371 1.00 12.20 C ATOM 854 NE ARG A 54 5.576 13.082 -2.010 1.00 18.23 N ATOM 855 CZ ARG A 54 6.087 14.154 -1.408 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.379 14.285 -1.148 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.289 15.129 -1.144 1.00 23.38 N ATOM 0 H ARG A 54 3.861 8.477 -3.817 1.00 8.53 H new ATOM 0 HA ARG A 54 6.532 9.741 -3.970 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.162 8.565 -1.535 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.834 9.085 -1.595 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.394 10.891 -2.209 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.303 10.926 -0.711 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.312 11.777 -1.930 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.439 11.700 -3.448 1.00 12.20 H new ATOM 0 HE ARG A 54 4.586 13.120 -2.252 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.030 13.545 -1.411 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.723 15.126 -0.684 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.303 15.063 -1.395 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.643 15.967 -0.683 1.00 23.38 H new ATOM 871 N THR A 55 7.604 7.346 -3.657 1.00 9.05 N ATOM 872 CA THR A 55 8.114 5.986 -3.815 1.00 9.03 C ATOM 873 C THR A 55 8.471 5.320 -2.504 1.00 8.15 C ATOM 874 O THR A 55 8.724 5.982 -1.520 1.00 5.91 O ATOM 875 CB THR A 55 9.281 5.727 -4.817 1.00 11.15 C ATOM 876 OG1 THR A 55 10.534 6.224 -4.248 1.00 11.95 O ATOM 877 CG2 THR A 55 8.960 6.351 -6.140 1.00 11.71 C ATOM 0 H THR A 55 8.314 8.065 -3.517 1.00 9.05 H new ATOM 0 HA THR A 55 7.234 5.536 -4.275 1.00 9.03 H new ATOM 0 HB THR A 55 9.404 4.658 -4.988 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.409 7.144 -3.934 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.778 6.168 -6.837 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.042 5.915 -6.535 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.826 7.425 -6.013 1.00 11.71 H new ATOM 885 N LEU A 56 8.425 3.946 -2.477 1.00 6.91 N ATOM 886 CA LEU A 56 8.725 3.069 -1.318 1.00 8.29 C ATOM 887 C LEU A 56 10.039 3.525 -0.632 1.00 8.05 C ATOM 888 O LEU A 56 10.146 3.581 0.578 1.00 10.17 O ATOM 889 CB LEU A 56 8.735 1.560 -1.652 1.00 6.60 C ATOM 890 CG LEU A 56 7.370 0.877 -1.999 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.514 -0.587 -2.388 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.307 0.948 -0.878 1.00 8.64 C ATOM 0 H LEU A 56 8.165 3.409 -3.304 1.00 6.91 H new ATOM 0 HA LEU A 56 7.900 3.185 -0.615 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.408 1.409 -2.496 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.166 1.032 -0.801 1.00 6.60 H new ATOM 0 HG LEU A 56 7.027 1.467 -2.849 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.532 -1.001 -2.616 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.155 -0.669 -3.266 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.958 -1.141 -1.561 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.396 0.449 -1.208 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.687 0.454 0.016 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.087 1.991 -0.650 1.00 8.64 H new ATOM 904 N SER A 57 11.088 3.785 -1.486 1.00 8.92 N ATOM 905 CA SER A 57 12.423 4.297 -1.070 1.00 9.00 C ATOM 906 C SER A 57 12.358 5.526 -0.263 1.00 9.44 C ATOM 907 O SER A 57 13.003 5.595 0.810 1.00 10.91 O ATOM 908 CB SER A 57 13.463 4.435 -2.186 1.00 10.32 C ATOM 909 OG SER A 57 13.258 5.551 -3.020 1.00 13.59 O ATOM 0 H SER A 57 11.017 3.639 -2.493 1.00 8.92 H new ATOM 0 HA SER A 57 12.786 3.491 -0.433 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.455 4.505 -1.739 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.451 3.531 -2.795 1.00 10.32 H new ATOM 0 HG SER A 57 12.320 5.580 -3.303 1.00 13.59 H new ATOM 915 N ASP A 58 11.522 6.520 -0.598 1.00 9.11 N ATOM 916 CA ASP A 58 11.361 7.741 0.107 1.00 7.91 C ATOM 917 C ASP A 58 10.638 7.729 1.450 1.00 9.12 C ATOM 918 O ASP A 58 10.634 8.683 2.275 1.00 8.61 O ATOM 919 CB ASP A 58 10.561 8.669 -0.842 1.00 8.41 C ATOM 920 CG ASP A 58 11.375 8.922 -2.109 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.521 9.365 -2.134 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.751 8.762 -3.207 1.00 10.05 O ATOM 0 H ASP A 58 10.919 6.462 -1.419 1.00 9.11 H new ATOM 0 HA ASP A 58 12.372 8.052 0.371 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.605 8.211 -1.096 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.340 9.613 -0.344 1.00 8.41 H new ATOM 927 N TYR A 59 9.942 6.615 1.733 1.00 7.97 N ATOM 928 CA TYR A 59 9.251 6.287 2.915 1.00 8.45 C ATOM 929 C TYR A 59 9.932 5.238 3.750 1.00 10.98 C ATOM 930 O TYR A 59 9.435 4.880 4.826 1.00 12.95 O ATOM 931 CB TYR A 59 7.805 5.809 2.588 1.00 7.94 C ATOM 932 CG TYR A 59 6.842 6.935 2.391 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.692 7.963 3.391 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.016 7.021 1.233 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.725 8.983 3.244 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.043 8.053 1.112 1.00 6.52 C ATOM 937 CZ TYR A 59 4.899 9.026 2.079 1.00 6.76 C ATOM 938 OH TYR A 59 4.017 10.108 1.945 1.00 7.63 O ATOM 0 H TYR A 59 9.864 5.867 1.043 1.00 7.97 H new ATOM 0 HA TYR A 59 9.233 7.205 3.503 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.827 5.197 1.687 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.448 5.172 3.397 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.327 7.953 4.264 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.129 6.297 0.440 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.610 9.732 4.014 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.403 8.075 0.243 1.00 6.52 H new ATOM 0 HH TYR A 59 4.324 10.692 1.221 1.00 7.63 H new ATOM 948 N ASN A 60 11.163 4.870 3.281 1.00 12.38 N ATOM 949 CA ASN A 60 12.027 3.916 3.964 1.00 13.94 C ATOM 950 C ASN A 60 11.331 2.526 4.246 1.00 14.16 C ATOM 951 O ASN A 60 11.280 2.079 5.366 1.00 14.26 O ATOM 952 CB ASN A 60 12.749 4.503 5.210 1.00 19.23 C ATOM 953 CG ASN A 60 13.642 5.695 4.791 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.343 6.866 5.021 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.809 5.212 4.201 1.00 24.09 N ATOM 0 H ASN A 60 11.563 5.239 2.418 1.00 12.38 H new ATOM 0 HA ASN A 60 12.822 3.703 3.250 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.014 4.829 5.946 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.356 3.733 5.685 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.537 5.862 3.904 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.935 4.209 4.066 1.00 24.09 H new ATOM 962 N ILE A 61 10.811 1.869 3.206 1.00 11.08 N ATOM 963 CA ILE A 61 10.191 0.591 3.336 1.00 11.78 C ATOM 964 C ILE A 61 11.077 -0.549 2.835 1.00 13.74 C ATOM 965 O ILE A 61 11.474 -0.613 1.663 1.00 14.60 O ATOM 966 CB ILE A 61 8.837 0.634 2.602 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.806 1.529 3.294 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.273 -0.806 2.395 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.725 2.196 2.408 1.00 11.42 C ATOM 0 H ILE A 61 10.819 2.230 2.252 1.00 11.08 H new ATOM 0 HA ILE A 61 10.031 0.381 4.393 1.00 11.78 H new ATOM 0 HB ILE A 61 9.028 1.082 1.627 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.298 0.932 4.052 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.345 2.318 3.818 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.317 -0.751 1.875 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.976 -1.390 1.801 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.132 -1.284 3.364 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.065 2.799 3.031 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.205 2.833 1.666 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.143 1.426 1.903 1.00 11.42 H new ATOM 981 N GLN A 62 11.548 -1.409 3.752 1.00 13.97 N ATOM 982 CA GLN A 62 12.582 -2.344 3.425 1.00 15.52 C ATOM 983 C GLN A 62 11.997 -3.610 2.940 1.00 13.94 C ATOM 984 O GLN A 62 10.762 -3.887 2.931 1.00 12.15 O ATOM 985 CB GLN A 62 13.532 -2.501 4.689 1.00 19.53 C ATOM 986 CG GLN A 62 14.492 -1.348 4.983 1.00 26.38 C ATOM 987 CD GLN A 62 15.654 -1.935 5.817 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.793 -2.020 5.369 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.409 -2.310 7.098 1.00 32.71 N ATOM 0 H GLN A 62 11.217 -1.459 4.715 1.00 13.97 H new ATOM 0 HA GLN A 62 13.199 -1.985 2.601 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.905 -2.652 5.568 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.122 -3.408 4.559 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.864 -0.909 4.057 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.986 -0.554 5.531 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.465 -2.242 7.478 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.169 -2.660 7.681 1.00 32.71 H new ATOM 998 N LYS A 63 12.870 -4.461 2.400 1.00 11.73 N ATOM 999 CA LYS A 63 12.467 -5.728 1.845 1.00 11.97 C ATOM 1000 C LYS A 63 11.729 -6.646 2.876 1.00 10.41 C ATOM 1001 O LYS A 63 12.068 -6.800 4.039 1.00 9.59 O ATOM 1002 CB LYS A 63 13.660 -6.494 1.303 1.00 13.73 C ATOM 1003 CG LYS A 63 14.718 -6.791 2.388 1.00 16.98 C ATOM 1004 CD LYS A 63 16.031 -7.252 1.833 1.00 20.19 C ATOM 1005 CE LYS A 63 17.170 -7.583 2.802 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.352 -8.060 2.018 1.00 25.97 N ATOM 0 H LYS A 63 13.872 -4.280 2.341 1.00 11.73 H new ATOM 0 HA LYS A 63 11.772 -5.481 1.042 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.317 -7.433 0.868 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.121 -5.920 0.499 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.880 -5.892 2.982 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.330 -7.554 3.063 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.841 -8.141 1.232 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.391 -6.479 1.153 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.436 -6.702 3.386 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.852 -8.350 3.509 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 19.131 -8.287 2.668 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.091 -8.911 1.480 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.656 -7.314 1.360 1.00 25.97 H new ATOM 1020 N GLU A 64 10.634 -7.244 2.395 1.00 10.04 N ATOM 1021 CA GLU A 64 9.649 -8.008 3.079 1.00 10.94 C ATOM 1022 C GLU A 64 8.811 -7.268 4.123 1.00 9.74 C ATOM 1023 O GLU A 64 8.182 -7.857 4.999 1.00 9.42 O ATOM 1024 CB GLU A 64 10.290 -9.282 3.719 1.00 18.31 C ATOM 1025 CG GLU A 64 11.109 -10.222 2.859 1.00 24.16 C ATOM 1026 CD GLU A 64 11.566 -11.454 3.575 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.686 -11.512 4.179 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.825 -12.486 3.450 1.00 32.61 O ATOM 0 H GLU A 64 10.415 -7.182 1.401 1.00 10.04 H new ATOM 0 HA GLU A 64 8.938 -8.272 2.296 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.929 -8.949 4.537 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.483 -9.865 4.162 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.516 -10.516 1.993 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.981 -9.688 2.482 1.00 24.16 H new ATOM 1035 N SER A 65 8.869 -5.919 4.142 1.00 6.85 N ATOM 1036 CA SER A 65 8.060 -5.166 5.073 1.00 6.90 C ATOM 1037 C SER A 65 6.540 -5.505 4.973 1.00 4.72 C ATOM 1038 O SER A 65 5.984 -5.719 3.907 1.00 3.91 O ATOM 1039 CB SER A 65 8.203 -3.681 4.989 1.00 7.28 C ATOM 1040 OG SER A 65 9.505 -3.253 5.295 1.00 10.56 O ATOM 0 H SER A 65 9.460 -5.356 3.530 1.00 6.85 H new ATOM 0 HA SER A 65 8.461 -5.487 6.034 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.940 -3.349 3.984 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.498 -3.211 5.674 1.00 7.28 H new ATOM 0 HG SER A 65 10.092 -3.418 4.528 1.00 10.56 H new ATOM 1046 N THR A 66 5.825 -5.325 6.053 1.00 4.48 N ATOM 1047 CA THR A 66 4.406 -5.374 6.225 1.00 3.80 C ATOM 1048 C THR A 66 3.864 -4.008 6.266 1.00 4.60 C ATOM 1049 O THR A 66 4.054 -3.131 7.117 1.00 5.33 O ATOM 1050 CB THR A 66 3.879 -6.106 7.408 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.269 -7.477 7.302 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.334 -6.221 7.619 1.00 3.40 C ATOM 0 H THR A 66 6.287 -5.115 6.938 1.00 4.48 H new ATOM 0 HA THR A 66 4.076 -5.953 5.362 1.00 3.80 H new ATOM 0 HB THR A 66 4.280 -5.505 8.224 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.931 -7.974 8.076 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.132 -6.786 8.529 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.904 -5.224 7.708 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.888 -6.734 6.767 1.00 3.40 H new ATOM 1060 N LEU A 67 3.000 -3.756 5.298 1.00 4.17 N ATOM 1061 CA LEU A 67 2.259 -2.519 5.227 1.00 3.85 C ATOM 1062 C LEU A 67 0.794 -2.775 5.720 1.00 3.80 C ATOM 1063 O LEU A 67 0.362 -3.921 5.936 1.00 5.54 O ATOM 1064 CB LEU A 67 2.087 -2.110 3.707 1.00 7.18 C ATOM 1065 CG LEU A 67 3.276 -1.854 2.822 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.816 -1.059 1.603 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.441 -1.144 3.481 1.00 11.66 C ATOM 0 H LEU A 67 2.796 -4.408 4.540 1.00 4.17 H new ATOM 0 HA LEU A 67 2.783 -1.766 5.816 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.502 -2.897 3.232 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.479 -1.206 3.689 1.00 7.18 H new ATOM 0 HG LEU A 67 3.663 -2.837 2.553 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.668 -0.866 0.952 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.065 -1.631 1.058 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.385 -0.112 1.928 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.243 -1.010 2.755 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.115 -0.170 3.845 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.805 -1.741 4.318 1.00 11.66 H new ATOM 1079 N HIS A 68 0.006 -1.729 5.877 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.370 -1.819 6.236 1.00 4.17 C ATOM 1081 C HIS A 68 -2.294 -1.236 5.213 1.00 5.32 C ATOM 1082 O HIS A 68 -2.001 -0.174 4.702 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.602 -0.992 7.519 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.619 -1.366 8.617 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.650 -0.973 8.655 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.821 -2.135 9.753 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.186 -1.496 9.783 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.367 -2.230 10.461 1.00 16.30 N ATOM 0 H HIS A 68 0.329 -0.770 5.751 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.583 -2.882 6.348 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.505 0.069 7.290 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.621 -1.149 7.874 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.128 -0.390 7.968 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.758 -2.589 10.041 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.206 -1.316 10.088 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.382 -1.926 4.983 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.337 -1.603 3.889 1.00 3.97 C ATOM 1098 C LEU A 69 -5.615 -1.005 4.532 1.00 5.07 C ATOM 1099 O LEU A 69 -6.107 -1.625 5.457 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.731 -2.806 2.973 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.065 -2.715 2.211 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.028 -1.675 1.075 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.421 -4.025 1.497 1.00 9.96 C ATOM 0 H LEU A 69 -3.655 -2.737 5.538 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.829 -0.900 3.229 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.935 -2.946 2.241 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.758 -3.704 3.591 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.786 -2.454 2.986 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.994 -1.652 0.571 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.812 -0.691 1.490 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.252 -1.945 0.359 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.370 -3.908 0.975 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.639 -4.272 0.778 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.506 -4.827 2.230 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.067 0.190 4.136 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.197 0.869 4.844 1.00 6.26 C ATOM 1117 C VAL A 70 -7.984 1.674 3.810 1.00 9.22 C ATOM 1118 O VAL A 70 -7.498 1.739 2.663 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.827 1.753 5.998 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.192 1.001 7.206 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.997 2.941 5.698 1.00 8.54 C ATOM 0 H VAL A 70 -5.687 0.712 3.346 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.783 0.072 5.302 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.816 2.122 6.268 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.955 1.715 7.995 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.897 0.261 7.585 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.279 0.500 6.884 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.803 3.491 6.619 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.051 2.623 5.259 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.525 3.585 4.995 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.139 2.204 4.158 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.050 2.855 3.168 1.00 16.06 C ATOM 1133 C LEU A 71 -9.907 4.370 3.225 1.00 18.09 C ATOM 1134 O LEU A 71 -9.506 4.961 4.249 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.549 2.506 3.436 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.852 0.996 3.106 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.345 0.617 3.442 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.601 0.574 1.713 1.00 19.57 C ATOM 0 H LEU A 71 -9.492 2.209 5.115 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.762 2.477 2.187 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.791 2.708 4.479 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.188 3.148 2.830 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.139 0.469 3.740 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.517 -0.432 3.201 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.532 0.781 4.503 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -14.020 1.239 2.854 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.844 -0.483 1.604 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.223 1.161 1.037 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.550 0.732 1.469 1.00 19.57 H new