USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 582 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 60 ASN : amide:sc= -0.141 K(o=-0.037,f=-1.3) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.104 X(o=-0.037,f=-0.11) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.662 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.718 K(o=1.4,f=0.017) USER MOD Set 3.1: A 7 THR OG1 : rot 114:sc= 1.1 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.974 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.307 X(o=-0.31,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -144:sc= 1.25 (180deg=0.428) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 14 THR OG1 : rot -67:sc= 0.329 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 1.04 (180deg=1.03) USER MOD Single : A 31 GLN : amide:sc= -0.086 X(o=-0.086,f=-0.51) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.505 K(o=0.5,f=-0.42) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.88! C(o=-1.9!,f=-2.7!) USER MOD Single : A 55 THR OG1 : rot -54:sc= 1.1 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -170:sc= 1.35 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -92:sc= 1.39 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.023 -5.173 -0.203 1.00 0.00 N ATOM 2 CA MET A 1 14.219 -4.359 0.715 1.00 0.00 C ATOM 3 C MET A 1 12.766 -4.784 0.537 1.00 0.00 C ATOM 4 O MET A 1 12.253 -4.756 -0.584 1.00 0.00 O ATOM 5 CB MET A 1 14.480 -2.865 0.467 1.00 0.00 C ATOM 6 CG MET A 1 14.174 -2.040 1.713 1.00 0.00 C ATOM 7 SD MET A 1 14.519 -0.261 1.551 1.00 0.00 S ATOM 8 CE MET A 1 12.862 0.448 1.779 1.00 0.00 C ATOM 0 H1 MET A 1 16.025 -4.912 -0.111 1.00 0.00 H new ATOM 0 H2 MET A 1 14.905 -6.179 0.031 1.00 0.00 H new ATOM 0 H3 MET A 1 14.710 -5.006 -1.180 1.00 0.00 H new ATOM 0 HA MET A 1 14.491 -4.519 1.758 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.520 -2.718 0.176 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.865 -2.518 -0.363 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.123 -2.170 1.969 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.756 -2.435 2.546 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.918 1.534 1.705 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.193 0.066 1.008 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.479 0.170 2.761 1.00 0.00 H new ATOM 18 N GLN A 2 12.096 -5.256 1.590 1.00 0.00 N ATOM 19 CA GLN A 2 10.712 -5.718 1.515 1.00 0.00 C ATOM 20 C GLN A 2 9.790 -4.931 2.448 1.00 0.00 C ATOM 21 O GLN A 2 10.260 -4.258 3.362 1.00 0.00 O ATOM 22 CB GLN A 2 10.686 -7.235 1.801 1.00 0.00 C ATOM 23 CG GLN A 2 11.299 -7.608 3.171 1.00 0.00 C ATOM 24 CD GLN A 2 11.113 -9.067 3.585 1.00 0.00 C ATOM 25 OE1 GLN A 2 12.030 -9.734 4.071 1.00 0.00 O ATOM 26 NE2 GLN A 2 9.911 -9.593 3.470 1.00 0.00 N ATOM 0 H GLN A 2 12.502 -5.328 2.523 1.00 0.00 H new ATOM 0 HA GLN A 2 10.324 -5.538 0.512 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.655 -7.587 1.764 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.230 -7.756 1.013 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.366 -7.386 3.148 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.857 -6.970 3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.151 -9.044 3.069 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.741 -10.549 3.782 1.00 0.00 H new ATOM 35 N ILE A 3 8.490 -4.912 2.156 1.00 0.00 N ATOM 36 CA ILE A 3 7.462 -4.267 2.974 1.00 0.00 C ATOM 37 C ILE A 3 6.314 -5.271 3.122 1.00 0.00 C ATOM 38 O ILE A 3 6.273 -6.294 2.424 1.00 0.00 O ATOM 39 CB ILE A 3 6.990 -2.897 2.431 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.227 -3.013 1.091 1.00 0.00 C ATOM 41 CG2 ILE A 3 8.168 -1.910 2.362 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.465 -1.736 0.715 1.00 0.00 C ATOM 0 H ILE A 3 8.112 -5.357 1.320 1.00 0.00 H new ATOM 0 HA ILE A 3 7.883 -4.015 3.947 1.00 0.00 H new ATOM 0 HB ILE A 3 6.263 -2.496 3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.935 -3.253 0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.523 -3.843 1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.818 -0.952 1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.585 -1.771 3.359 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.937 -2.307 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.952 -1.885 -0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.734 -1.507 1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.167 -0.907 0.622 1.00 0.00 H new ATOM 54 N PHE A 4 5.365 -4.988 4.002 1.00 0.00 N ATOM 55 CA PHE A 4 4.202 -5.813 4.258 1.00 0.00 C ATOM 56 C PHE A 4 2.965 -4.935 4.108 1.00 0.00 C ATOM 57 O PHE A 4 3.040 -3.725 4.317 1.00 0.00 O ATOM 58 CB PHE A 4 4.256 -6.434 5.660 1.00 0.00 C ATOM 59 CG PHE A 4 5.430 -7.350 5.944 1.00 0.00 C ATOM 60 CD1 PHE A 4 5.441 -8.665 5.444 1.00 0.00 C ATOM 61 CD2 PHE A 4 6.489 -6.905 6.760 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.503 -9.533 5.761 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.549 -7.772 7.076 1.00 0.00 C ATOM 64 CZ PHE A 4 7.555 -9.086 6.579 1.00 0.00 C ATOM 0 H PHE A 4 5.388 -4.146 4.577 1.00 0.00 H new ATOM 0 HA PHE A 4 4.173 -6.638 3.547 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.267 -5.626 6.392 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.336 -6.997 5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.633 -9.009 4.816 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.486 -5.895 7.143 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.509 -10.542 5.376 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.360 -7.428 7.701 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.368 -9.753 6.825 1.00 0.00 H new ATOM 74 N VAL A 5 1.824 -5.514 3.740 1.00 0.00 N ATOM 75 CA VAL A 5 0.579 -4.768 3.581 1.00 0.00 C ATOM 76 C VAL A 5 -0.570 -5.596 4.157 1.00 0.00 C ATOM 77 O VAL A 5 -0.695 -6.765 3.804 1.00 0.00 O ATOM 78 CB VAL A 5 0.343 -4.379 2.103 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.680 -3.238 2.059 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.596 -3.911 1.340 1.00 0.00 C ATOM 0 H VAL A 5 1.737 -6.511 3.544 1.00 0.00 H new ATOM 0 HA VAL A 5 0.639 -3.829 4.132 1.00 0.00 H new ATOM 0 HB VAL A 5 0.001 -5.289 1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.859 -2.950 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.615 -3.570 2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.294 -2.382 2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.325 -3.662 0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.012 -3.031 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.339 -4.709 1.336 1.00 0.00 H new ATOM 90 N LYS A 6 -1.397 -5.032 5.041 1.00 0.00 N ATOM 91 CA LYS A 6 -2.543 -5.724 5.641 1.00 0.00 C ATOM 92 C LYS A 6 -3.813 -5.381 4.859 1.00 0.00 C ATOM 93 O LYS A 6 -4.136 -4.197 4.731 1.00 0.00 O ATOM 94 CB LYS A 6 -2.681 -5.383 7.137 1.00 0.00 C ATOM 95 CG LYS A 6 -3.666 -6.330 7.851 1.00 0.00 C ATOM 96 CD LYS A 6 -3.064 -7.723 8.106 1.00 0.00 C ATOM 97 CE LYS A 6 -2.267 -7.812 9.404 1.00 0.00 C ATOM 98 NZ LYS A 6 -3.128 -8.103 10.563 1.00 0.00 N ATOM 0 H LYS A 6 -1.289 -4.071 5.365 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.381 -6.800 5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.704 -5.446 7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.023 -4.354 7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.966 -5.888 8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.568 -6.432 7.248 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.868 -8.459 8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.415 -7.988 7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.509 -8.590 9.311 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.740 -6.872 9.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.546 -8.155 11.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.835 -7.348 10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.611 -9.012 10.417 1.00 0.00 H new ATOM 112 N THR A 7 -4.462 -6.374 4.252 1.00 0.00 N ATOM 113 CA THR A 7 -5.692 -6.198 3.483 1.00 0.00 C ATOM 114 C THR A 7 -6.906 -6.133 4.421 1.00 0.00 C ATOM 115 O THR A 7 -6.837 -6.555 5.579 1.00 0.00 O ATOM 116 CB THR A 7 -5.845 -7.371 2.491 1.00 0.00 C ATOM 117 OG1 THR A 7 -5.769 -8.608 3.168 1.00 0.00 O ATOM 118 CG2 THR A 7 -4.754 -7.357 1.415 1.00 0.00 C ATOM 0 H THR A 7 -4.141 -7.342 4.282 1.00 0.00 H new ATOM 0 HA THR A 7 -5.638 -5.260 2.930 1.00 0.00 H new ATOM 0 HB THR A 7 -6.820 -7.250 2.018 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.634 -9.065 3.112 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.899 -8.199 0.738 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.810 -6.425 0.852 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.775 -7.437 1.888 1.00 0.00 H new ATOM 126 N LEU A 8 -8.059 -5.683 3.905 1.00 0.00 N ATOM 127 CA LEU A 8 -9.316 -5.583 4.661 1.00 0.00 C ATOM 128 C LEU A 8 -9.896 -6.947 5.052 1.00 0.00 C ATOM 129 O LEU A 8 -10.903 -7.003 5.756 1.00 0.00 O ATOM 130 CB LEU A 8 -10.376 -4.760 3.905 1.00 0.00 C ATOM 131 CG LEU A 8 -11.061 -5.408 2.675 1.00 0.00 C ATOM 132 CD1 LEU A 8 -11.928 -4.337 2.001 1.00 0.00 C ATOM 133 CD2 LEU A 8 -10.128 -5.980 1.601 1.00 0.00 C ATOM 0 H LEU A 8 -8.146 -5.374 2.937 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.056 -5.062 5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.156 -4.487 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.906 -3.833 3.576 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.616 -6.258 3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.424 -4.765 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.678 -3.980 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.299 -3.504 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.722 -6.406 0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.496 -5.184 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.502 -6.757 2.039 1.00 0.00 H new ATOM 145 N THR A 9 -9.291 -8.045 4.603 1.00 0.00 N ATOM 146 CA THR A 9 -9.714 -9.401 4.909 1.00 0.00 C ATOM 147 C THR A 9 -8.976 -9.934 6.147 1.00 0.00 C ATOM 148 O THR A 9 -9.329 -11.000 6.651 1.00 0.00 O ATOM 149 CB THR A 9 -9.443 -10.284 3.678 1.00 0.00 C ATOM 150 OG1 THR A 9 -8.161 -10.060 3.107 1.00 0.00 O ATOM 151 CG2 THR A 9 -10.491 -10.046 2.587 1.00 0.00 C ATOM 0 H THR A 9 -8.470 -8.010 3.999 1.00 0.00 H new ATOM 0 HA THR A 9 -10.779 -9.415 5.139 1.00 0.00 H new ATOM 0 HB THR A 9 -9.491 -11.310 4.042 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.041 -10.647 2.331 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.275 -10.683 1.729 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.481 -10.284 2.975 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.464 -9.001 2.279 1.00 0.00 H new ATOM 159 N GLY A 10 -7.919 -9.245 6.593 1.00 0.00 N ATOM 160 CA GLY A 10 -7.104 -9.589 7.751 1.00 0.00 C ATOM 161 C GLY A 10 -5.845 -10.352 7.341 1.00 0.00 C ATOM 162 O GLY A 10 -5.094 -10.811 8.206 1.00 0.00 O ATOM 0 H GLY A 10 -7.599 -8.394 6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.823 -8.680 8.283 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.689 -10.195 8.443 1.00 0.00 H new ATOM 166 N LYS A 11 -5.597 -10.490 6.034 1.00 0.00 N ATOM 167 CA LYS A 11 -4.423 -11.184 5.530 1.00 0.00 C ATOM 168 C LYS A 11 -3.297 -10.171 5.438 1.00 0.00 C ATOM 169 O LYS A 11 -3.542 -8.965 5.348 1.00 0.00 O ATOM 170 CB LYS A 11 -4.736 -11.732 4.114 1.00 0.00 C ATOM 171 CG LYS A 11 -4.764 -13.263 4.045 1.00 0.00 C ATOM 172 CD LYS A 11 -3.379 -13.926 4.151 1.00 0.00 C ATOM 173 CE LYS A 11 -2.432 -13.626 2.981 1.00 0.00 C ATOM 174 NZ LYS A 11 -2.980 -14.024 1.672 1.00 0.00 N ATOM 0 H LYS A 11 -6.207 -10.122 5.304 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.144 -12.010 6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.701 -11.344 3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.988 -11.358 3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.397 -13.640 4.848 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.228 -13.565 3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.905 -13.600 5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.513 -15.005 4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.211 -12.559 2.966 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.487 -14.145 3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.212 -14.379 1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.689 -14.773 1.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.426 -13.202 1.218 1.00 0.00 H new ATOM 188 N THR A 12 -2.075 -10.667 5.311 1.00 0.00 N ATOM 189 CA THR A 12 -0.903 -9.830 5.176 1.00 0.00 C ATOM 190 C THR A 12 -0.227 -10.270 3.886 1.00 0.00 C ATOM 191 O THR A 12 -0.206 -11.460 3.546 1.00 0.00 O ATOM 192 CB THR A 12 0.018 -9.926 6.395 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.699 -10.070 7.605 1.00 0.00 O ATOM 194 CG2 THR A 12 0.899 -8.681 6.528 1.00 0.00 C ATOM 0 H THR A 12 -1.873 -11.667 5.299 1.00 0.00 H new ATOM 0 HA THR A 12 -1.170 -8.774 5.129 1.00 0.00 H new ATOM 0 HB THR A 12 0.629 -10.813 6.227 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.069 -10.129 8.353 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.541 -8.781 7.403 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.516 -8.575 5.636 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.268 -7.799 6.640 1.00 0.00 H new ATOM 202 N ILE A 13 0.313 -9.307 3.165 1.00 0.00 N ATOM 203 CA ILE A 13 1.002 -9.459 1.903 1.00 0.00 C ATOM 204 C ILE A 13 2.450 -9.058 2.159 1.00 0.00 C ATOM 205 O ILE A 13 2.706 -8.268 3.067 1.00 0.00 O ATOM 206 CB ILE A 13 0.339 -8.513 0.869 1.00 0.00 C ATOM 207 CG1 ILE A 13 -1.209 -8.543 0.895 1.00 0.00 C ATOM 208 CG2 ILE A 13 0.868 -8.778 -0.550 1.00 0.00 C ATOM 209 CD1 ILE A 13 -1.842 -9.891 0.535 1.00 0.00 C ATOM 0 H ILE A 13 0.278 -8.334 3.468 1.00 0.00 H new ATOM 0 HA ILE A 13 0.954 -10.476 1.514 1.00 0.00 H new ATOM 0 HB ILE A 13 0.625 -7.505 1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.545 -8.257 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.583 -7.788 0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.384 -8.099 -1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.946 -8.616 -0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.650 -9.808 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.928 -9.807 0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.544 -10.175 -0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.506 -10.651 1.240 1.00 0.00 H new ATOM 221 N THR A 14 3.372 -9.566 1.351 1.00 0.00 N ATOM 222 CA THR A 14 4.796 -9.294 1.395 1.00 0.00 C ATOM 223 C THR A 14 5.132 -8.845 -0.019 1.00 0.00 C ATOM 224 O THR A 14 4.749 -9.530 -0.967 1.00 0.00 O ATOM 225 CB THR A 14 5.579 -10.558 1.766 1.00 0.00 C ATOM 226 OG1 THR A 14 5.112 -11.096 2.983 1.00 0.00 O ATOM 227 CG2 THR A 14 7.068 -10.264 1.929 1.00 0.00 C ATOM 0 H THR A 14 3.127 -10.217 0.605 1.00 0.00 H new ATOM 0 HA THR A 14 5.057 -8.546 2.144 1.00 0.00 H new ATOM 0 HB THR A 14 5.430 -11.269 0.953 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.328 -10.483 3.716 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.593 -11.182 2.192 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.466 -9.873 0.993 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.209 -9.526 2.719 1.00 0.00 H new ATOM 235 N LEU A 15 5.791 -7.696 -0.168 1.00 0.00 N ATOM 236 CA LEU A 15 6.179 -7.153 -1.463 1.00 0.00 C ATOM 237 C LEU A 15 7.630 -6.709 -1.399 1.00 0.00 C ATOM 238 O LEU A 15 8.131 -6.362 -0.327 1.00 0.00 O ATOM 239 CB LEU A 15 5.323 -5.932 -1.839 1.00 0.00 C ATOM 240 CG LEU A 15 3.826 -6.192 -2.067 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.164 -4.857 -2.422 1.00 0.00 C ATOM 242 CD2 LEU A 15 3.553 -7.202 -3.187 1.00 0.00 C ATOM 0 H LEU A 15 6.072 -7.111 0.619 1.00 0.00 H new ATOM 0 HA LEU A 15 6.035 -7.932 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.424 -5.187 -1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.736 -5.492 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 15 3.417 -6.621 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.098 -5.013 -2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.303 -4.152 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.619 -4.455 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.478 -7.341 -3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.969 -6.829 -4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.019 -8.156 -2.938 1.00 0.00 H new ATOM 254 N GLU A 16 8.307 -6.778 -2.536 1.00 0.00 N ATOM 255 CA GLU A 16 9.685 -6.375 -2.730 1.00 0.00 C ATOM 256 C GLU A 16 9.572 -5.061 -3.487 1.00 0.00 C ATOM 257 O GLU A 16 9.033 -5.019 -4.598 1.00 0.00 O ATOM 258 CB GLU A 16 10.465 -7.456 -3.475 1.00 0.00 C ATOM 259 CG GLU A 16 11.934 -7.059 -3.665 1.00 0.00 C ATOM 260 CD GLU A 16 12.772 -8.276 -4.047 1.00 0.00 C ATOM 261 OE1 GLU A 16 12.471 -8.951 -5.057 1.00 0.00 O ATOM 262 OE2 GLU A 16 13.701 -8.644 -3.287 1.00 0.00 O ATOM 0 H GLU A 16 7.883 -7.137 -3.392 1.00 0.00 H new ATOM 0 HA GLU A 16 10.245 -6.242 -1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.409 -8.393 -2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.006 -7.632 -4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.014 -6.297 -4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.320 -6.619 -2.745 1.00 0.00 H new ATOM 269 N VAL A 17 9.929 -3.974 -2.815 1.00 0.00 N ATOM 270 CA VAL A 17 9.880 -2.626 -3.363 1.00 0.00 C ATOM 271 C VAL A 17 11.192 -1.929 -2.996 1.00 0.00 C ATOM 272 O VAL A 17 12.084 -2.544 -2.401 1.00 0.00 O ATOM 273 CB VAL A 17 8.596 -1.905 -2.874 1.00 0.00 C ATOM 274 CG1 VAL A 17 7.312 -2.693 -3.184 1.00 0.00 C ATOM 275 CG2 VAL A 17 8.611 -1.641 -1.368 1.00 0.00 C ATOM 0 H VAL A 17 10.268 -4.006 -1.853 1.00 0.00 H new ATOM 0 HA VAL A 17 9.806 -2.619 -4.450 1.00 0.00 H new ATOM 0 HB VAL A 17 8.593 -0.963 -3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.448 -2.139 -2.818 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.223 -2.835 -4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.354 -3.665 -2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.690 -1.135 -1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.688 -2.588 -0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.465 -1.012 -1.117 1.00 0.00 H new ATOM 285 N GLU A 18 11.337 -0.645 -3.300 1.00 0.00 N ATOM 286 CA GLU A 18 12.542 0.102 -2.981 1.00 0.00 C ATOM 287 C GLU A 18 12.175 1.548 -2.659 1.00 0.00 C ATOM 288 O GLU A 18 11.051 1.958 -2.962 1.00 0.00 O ATOM 289 CB GLU A 18 13.528 -0.029 -4.149 1.00 0.00 C ATOM 290 CG GLU A 18 13.059 0.640 -5.446 1.00 0.00 C ATOM 291 CD GLU A 18 13.994 0.250 -6.579 1.00 0.00 C ATOM 292 OE1 GLU A 18 13.665 -0.725 -7.295 1.00 0.00 O ATOM 293 OE2 GLU A 18 15.074 0.870 -6.688 1.00 0.00 O ATOM 0 H GLU A 18 10.621 -0.095 -3.775 1.00 0.00 H new ATOM 0 HA GLU A 18 13.034 -0.299 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.483 0.406 -3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.706 -1.087 -4.343 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.039 0.333 -5.679 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.046 1.723 -5.326 1.00 0.00 H new ATOM 300 N PRO A 19 13.089 2.351 -2.078 1.00 0.00 N ATOM 301 CA PRO A 19 12.826 3.748 -1.745 1.00 0.00 C ATOM 302 C PRO A 19 12.331 4.589 -2.927 1.00 0.00 C ATOM 303 O PRO A 19 11.676 5.608 -2.699 1.00 0.00 O ATOM 304 CB PRO A 19 14.148 4.307 -1.209 1.00 0.00 C ATOM 305 CG PRO A 19 14.857 3.072 -0.670 1.00 0.00 C ATOM 306 CD PRO A 19 14.437 1.991 -1.662 1.00 0.00 C ATOM 0 HA PRO A 19 12.017 3.797 -1.016 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.727 4.793 -1.994 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.984 5.050 -0.428 1.00 0.00 H new ATOM 0 HG2 PRO A 19 15.939 3.203 -0.646 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.542 2.835 0.346 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.115 1.955 -2.515 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.455 1.004 -1.199 1.00 0.00 H new ATOM 314 N SER A 20 12.545 4.129 -4.163 1.00 0.00 N ATOM 315 CA SER A 20 12.152 4.832 -5.366 1.00 0.00 C ATOM 316 C SER A 20 11.080 4.077 -6.162 1.00 0.00 C ATOM 317 O SER A 20 11.023 4.214 -7.386 1.00 0.00 O ATOM 318 CB SER A 20 13.418 5.011 -6.211 1.00 0.00 C ATOM 319 OG SER A 20 14.455 5.664 -5.494 1.00 0.00 O ATOM 0 H SER A 20 13.006 3.238 -4.348 1.00 0.00 H new ATOM 0 HA SER A 20 11.708 5.791 -5.099 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.770 4.035 -6.546 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.178 5.588 -7.104 1.00 0.00 H new ATOM 0 HG SER A 20 15.243 5.756 -6.069 1.00 0.00 H new ATOM 325 N ASP A 21 10.206 3.322 -5.488 1.00 0.00 N ATOM 326 CA ASP A 21 9.094 2.607 -6.124 1.00 0.00 C ATOM 327 C ASP A 21 7.884 3.516 -5.882 1.00 0.00 C ATOM 328 O ASP A 21 7.723 4.010 -4.754 1.00 0.00 O ATOM 329 CB ASP A 21 8.889 1.208 -5.516 1.00 0.00 C ATOM 330 CG ASP A 21 7.836 0.389 -6.272 1.00 0.00 C ATOM 331 OD1 ASP A 21 7.349 -0.611 -5.694 1.00 0.00 O ATOM 332 OD2 ASP A 21 7.555 0.725 -7.439 1.00 0.00 O ATOM 0 H ASP A 21 10.251 3.189 -4.478 1.00 0.00 H new ATOM 0 HA ASP A 21 9.271 2.423 -7.184 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.837 0.670 -5.522 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.587 1.309 -4.474 1.00 0.00 H new ATOM 337 N THR A 22 7.093 3.843 -6.908 1.00 0.00 N ATOM 338 CA THR A 22 5.944 4.728 -6.721 1.00 0.00 C ATOM 339 C THR A 22 4.764 3.995 -6.096 1.00 0.00 C ATOM 340 O THR A 22 4.589 2.785 -6.260 1.00 0.00 O ATOM 341 CB THR A 22 5.499 5.336 -8.068 1.00 0.00 C ATOM 342 OG1 THR A 22 5.490 4.359 -9.092 1.00 0.00 O ATOM 343 CG2 THR A 22 6.351 6.536 -8.482 1.00 0.00 C ATOM 0 H THR A 22 7.226 3.512 -7.864 1.00 0.00 H new ATOM 0 HA THR A 22 6.262 5.521 -6.045 1.00 0.00 H new ATOM 0 HB THR A 22 4.482 5.699 -7.921 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.203 4.770 -9.934 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.994 6.924 -9.436 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.276 7.315 -7.723 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.391 6.226 -8.583 1.00 0.00 H new ATOM 351 N ILE A 23 3.857 4.757 -5.475 1.00 0.00 N ATOM 352 CA ILE A 23 2.662 4.162 -4.876 1.00 0.00 C ATOM 353 C ILE A 23 1.808 3.532 -5.982 1.00 0.00 C ATOM 354 O ILE A 23 1.099 2.569 -5.713 1.00 0.00 O ATOM 355 CB ILE A 23 1.885 5.189 -4.034 1.00 0.00 C ATOM 356 CG1 ILE A 23 2.767 5.798 -2.927 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.592 4.623 -3.416 1.00 0.00 C ATOM 358 CD1 ILE A 23 3.422 4.809 -1.954 1.00 0.00 C ATOM 0 H ILE A 23 3.926 5.770 -5.376 1.00 0.00 H new ATOM 0 HA ILE A 23 2.954 3.374 -4.182 1.00 0.00 H new ATOM 0 HB ILE A 23 1.593 5.972 -4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.555 6.383 -3.401 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.158 6.493 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.095 5.401 -2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.072 4.283 -4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.837 3.785 -2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.016 5.357 -1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.649 4.239 -1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.067 4.127 -2.508 1.00 0.00 H new ATOM 370 N GLU A 24 1.875 4.049 -7.214 1.00 0.00 N ATOM 371 CA GLU A 24 1.132 3.528 -8.356 1.00 0.00 C ATOM 372 C GLU A 24 1.481 2.046 -8.558 1.00 0.00 C ATOM 373 O GLU A 24 0.601 1.222 -8.812 1.00 0.00 O ATOM 374 CB GLU A 24 1.483 4.368 -9.597 1.00 0.00 C ATOM 375 CG GLU A 24 0.746 3.860 -10.840 1.00 0.00 C ATOM 376 CD GLU A 24 0.976 4.724 -12.076 1.00 0.00 C ATOM 377 OE1 GLU A 24 -0.014 5.297 -12.577 1.00 0.00 O ATOM 378 OE2 GLU A 24 2.125 4.799 -12.580 1.00 0.00 O ATOM 0 H GLU A 24 2.458 4.854 -7.444 1.00 0.00 H new ATOM 0 HA GLU A 24 0.058 3.597 -8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.222 5.411 -9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.559 4.333 -9.770 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.068 2.841 -11.053 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.322 3.819 -10.628 1.00 0.00 H new ATOM 385 N ASN A 25 2.770 1.722 -8.441 1.00 0.00 N ATOM 386 CA ASN A 25 3.306 0.378 -8.584 1.00 0.00 C ATOM 387 C ASN A 25 2.933 -0.445 -7.368 1.00 0.00 C ATOM 388 O ASN A 25 2.347 -1.512 -7.527 1.00 0.00 O ATOM 389 CB ASN A 25 4.818 0.419 -8.804 1.00 0.00 C ATOM 390 CG ASN A 25 5.097 0.666 -10.272 1.00 0.00 C ATOM 391 OD1 ASN A 25 4.952 -0.242 -11.085 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.400 1.893 -10.649 1.00 0.00 N ATOM 0 H ASN A 25 3.489 2.416 -8.237 1.00 0.00 H new ATOM 0 HA ASN A 25 2.871 -0.096 -9.464 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.265 1.207 -8.198 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.270 -0.521 -8.488 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.520 2.107 -11.639 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.514 2.628 -9.951 1.00 0.00 H new ATOM 399 N VAL A 26 3.214 0.026 -6.151 1.00 0.00 N ATOM 400 CA VAL A 26 2.871 -0.709 -4.928 1.00 0.00 C ATOM 401 C VAL A 26 1.370 -1.052 -4.900 1.00 0.00 C ATOM 402 O VAL A 26 0.991 -2.159 -4.511 1.00 0.00 O ATOM 403 CB VAL A 26 3.323 0.061 -3.669 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.105 -0.780 -2.399 1.00 0.00 C ATOM 405 CG2 VAL A 26 4.815 0.421 -3.724 1.00 0.00 C ATOM 0 H VAL A 26 3.681 0.918 -5.984 1.00 0.00 H new ATOM 0 HA VAL A 26 3.416 -1.653 -4.929 1.00 0.00 H new ATOM 0 HB VAL A 26 2.721 0.970 -3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.432 -0.214 -1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.047 -1.021 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.682 -1.702 -2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.092 0.962 -2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.407 -0.491 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.006 1.048 -4.595 1.00 0.00 H new ATOM 415 N LYS A 27 0.503 -0.145 -5.363 1.00 0.00 N ATOM 416 CA LYS A 27 -0.943 -0.346 -5.375 1.00 0.00 C ATOM 417 C LYS A 27 -1.371 -1.321 -6.485 1.00 0.00 C ATOM 418 O LYS A 27 -2.516 -1.778 -6.463 1.00 0.00 O ATOM 419 CB LYS A 27 -1.619 1.033 -5.446 1.00 0.00 C ATOM 420 CG LYS A 27 -3.097 0.990 -5.041 1.00 0.00 C ATOM 421 CD LYS A 27 -3.686 2.378 -4.772 1.00 0.00 C ATOM 422 CE LYS A 27 -3.689 3.208 -6.058 1.00 0.00 C ATOM 423 NZ LYS A 27 -4.417 4.480 -5.917 1.00 0.00 N ATOM 0 H LYS A 27 0.792 0.757 -5.743 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.273 -0.831 -4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.088 1.727 -4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.536 1.422 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.670 0.505 -5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.205 0.376 -4.147 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.702 2.282 -4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.103 2.886 -4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.660 3.415 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.140 2.624 -6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.386 4.999 -6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.407 4.287 -5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.973 5.053 -5.171 1.00 0.00 H new ATOM 437 N ALA A 28 -0.506 -1.606 -7.462 1.00 0.00 N ATOM 438 CA ALA A 28 -0.731 -2.559 -8.542 1.00 0.00 C ATOM 439 C ALA A 28 -0.212 -3.926 -8.089 1.00 0.00 C ATOM 440 O ALA A 28 -0.922 -4.916 -8.216 1.00 0.00 O ATOM 441 CB ALA A 28 -0.059 -2.104 -9.834 1.00 0.00 C ATOM 0 H ALA A 28 0.408 -1.157 -7.521 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.797 -2.626 -8.759 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.246 -2.837 -10.619 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.465 -1.138 -10.135 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.015 -2.012 -9.673 1.00 0.00 H new ATOM 447 N LYS A 29 0.985 -3.985 -7.490 1.00 0.00 N ATOM 448 CA LYS A 29 1.628 -5.203 -6.984 1.00 0.00 C ATOM 449 C LYS A 29 0.658 -5.989 -6.092 1.00 0.00 C ATOM 450 O LYS A 29 0.604 -7.220 -6.161 1.00 0.00 O ATOM 451 CB LYS A 29 2.925 -4.840 -6.231 1.00 0.00 C ATOM 452 CG LYS A 29 4.121 -4.448 -7.122 1.00 0.00 C ATOM 453 CD LYS A 29 5.277 -3.884 -6.272 1.00 0.00 C ATOM 454 CE LYS A 29 6.518 -3.491 -7.093 1.00 0.00 C ATOM 455 NZ LYS A 29 7.628 -4.464 -6.970 1.00 0.00 N ATOM 0 H LYS A 29 1.554 -3.152 -7.339 1.00 0.00 H new ATOM 0 HA LYS A 29 1.895 -5.844 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.712 -4.013 -5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.217 -5.690 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.465 -5.319 -7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.806 -3.705 -7.854 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.922 -3.009 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.565 -4.627 -5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.238 -3.399 -8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.865 -2.510 -6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.408 -4.181 -7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.964 -4.485 -5.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.292 -5.410 -7.241 1.00 0.00 H new ATOM 469 N ILE A 30 -0.120 -5.302 -5.253 1.00 0.00 N ATOM 470 CA ILE A 30 -1.099 -5.940 -4.375 1.00 0.00 C ATOM 471 C ILE A 30 -2.219 -6.645 -5.169 1.00 0.00 C ATOM 472 O ILE A 30 -2.801 -7.602 -4.654 1.00 0.00 O ATOM 473 CB ILE A 30 -1.671 -4.939 -3.347 1.00 0.00 C ATOM 474 CG1 ILE A 30 -2.281 -3.709 -4.043 1.00 0.00 C ATOM 475 CG2 ILE A 30 -0.582 -4.542 -2.335 1.00 0.00 C ATOM 476 CD1 ILE A 30 -2.989 -2.739 -3.100 1.00 0.00 C ATOM 0 H ILE A 30 -0.088 -4.286 -5.164 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.572 -6.716 -3.819 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.480 -5.424 -2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.490 -3.174 -4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.992 -4.048 -4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.995 -3.836 -1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.230 -5.431 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.252 -4.077 -2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.389 -1.902 -3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.804 -3.255 -2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.280 -2.367 -2.361 1.00 0.00 H new ATOM 488 N GLN A 31 -2.525 -6.237 -6.403 1.00 0.00 N ATOM 489 CA GLN A 31 -3.581 -6.862 -7.207 1.00 0.00 C ATOM 490 C GLN A 31 -3.073 -8.197 -7.758 1.00 0.00 C ATOM 491 O GLN A 31 -3.863 -9.094 -8.056 1.00 0.00 O ATOM 492 CB GLN A 31 -3.977 -5.951 -8.383 1.00 0.00 C ATOM 493 CG GLN A 31 -4.303 -4.507 -7.969 1.00 0.00 C ATOM 494 CD GLN A 31 -4.635 -3.602 -9.152 1.00 0.00 C ATOM 495 OE1 GLN A 31 -4.317 -3.876 -10.307 1.00 0.00 O ATOM 496 NE2 GLN A 31 -5.237 -2.454 -8.901 1.00 0.00 N ATOM 0 H GLN A 31 -2.050 -5.466 -6.873 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.454 -7.022 -6.574 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.163 -5.936 -9.108 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.844 -6.379 -8.886 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.147 -4.516 -7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.453 -4.090 -7.429 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.505 -2.217 -7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.434 -1.804 -9.662 1.00 0.00 H new ATOM 505 N ASP A 32 -1.753 -8.363 -7.877 1.00 0.00 N ATOM 506 CA ASP A 32 -1.132 -9.606 -8.341 1.00 0.00 C ATOM 507 C ASP A 32 -1.118 -10.602 -7.172 1.00 0.00 C ATOM 508 O ASP A 32 -1.448 -11.780 -7.350 1.00 0.00 O ATOM 509 CB ASP A 32 0.294 -9.350 -8.859 1.00 0.00 C ATOM 510 CG ASP A 32 1.206 -10.572 -8.692 1.00 0.00 C ATOM 511 OD1 ASP A 32 1.095 -11.545 -9.471 1.00 0.00 O ATOM 512 OD2 ASP A 32 2.050 -10.576 -7.768 1.00 0.00 O ATOM 0 H ASP A 32 -1.079 -7.631 -7.652 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.706 -10.017 -9.172 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.251 -9.074 -9.913 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.725 -8.503 -8.325 1.00 0.00 H new ATOM 517 N LYS A 33 -0.906 -10.109 -5.947 1.00 0.00 N ATOM 518 CA LYS A 33 -0.831 -10.941 -4.751 1.00 0.00 C ATOM 519 C LYS A 33 -2.183 -11.246 -4.116 1.00 0.00 C ATOM 520 O LYS A 33 -2.254 -12.229 -3.382 1.00 0.00 O ATOM 521 CB LYS A 33 0.099 -10.261 -3.728 1.00 0.00 C ATOM 522 CG LYS A 33 1.585 -10.615 -3.937 1.00 0.00 C ATOM 523 CD LYS A 33 1.992 -11.850 -3.117 1.00 0.00 C ATOM 524 CE LYS A 33 3.400 -12.337 -3.485 1.00 0.00 C ATOM 525 NZ LYS A 33 3.795 -13.526 -2.696 1.00 0.00 N ATOM 0 H LYS A 33 -0.781 -9.114 -5.761 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.433 -11.907 -5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.024 -9.180 -3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.201 -10.554 -2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.770 -10.802 -4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.206 -9.766 -3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.956 -11.609 -2.055 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.274 -12.652 -3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.435 -12.578 -4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.118 -11.534 -3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.752 -13.825 -2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.786 -13.289 -1.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.125 -14.301 -2.876 1.00 0.00 H new ATOM 539 N GLU A 34 -3.246 -10.472 -4.332 1.00 0.00 N ATOM 540 CA GLU A 34 -4.554 -10.764 -3.746 1.00 0.00 C ATOM 541 C GLU A 34 -5.642 -10.228 -4.677 1.00 0.00 C ATOM 542 O GLU A 34 -5.386 -9.325 -5.476 1.00 0.00 O ATOM 543 CB GLU A 34 -4.649 -10.165 -2.327 1.00 0.00 C ATOM 544 CG GLU A 34 -5.614 -10.912 -1.394 1.00 0.00 C ATOM 545 CD GLU A 34 -5.007 -12.244 -0.950 1.00 0.00 C ATOM 546 OE1 GLU A 34 -4.261 -12.274 0.055 1.00 0.00 O ATOM 547 OE2 GLU A 34 -5.159 -13.254 -1.670 1.00 0.00 O ATOM 0 H GLU A 34 -3.226 -9.633 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.693 -11.840 -3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.656 -10.162 -1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.967 -9.125 -2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.834 -10.297 -0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.560 -11.089 -1.906 1.00 0.00 H new ATOM 554 N GLY A 35 -6.859 -10.761 -4.574 1.00 0.00 N ATOM 555 CA GLY A 35 -7.977 -10.352 -5.407 1.00 0.00 C ATOM 556 C GLY A 35 -8.638 -9.087 -4.885 1.00 0.00 C ATOM 557 O GLY A 35 -9.649 -9.161 -4.183 1.00 0.00 O ATOM 0 H GLY A 35 -7.093 -11.494 -3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.629 -10.186 -6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.712 -11.156 -5.448 1.00 0.00 H new ATOM 561 N ILE A 36 -8.071 -7.929 -5.214 1.00 0.00 N ATOM 562 CA ILE A 36 -8.578 -6.622 -4.814 1.00 0.00 C ATOM 563 C ILE A 36 -8.396 -5.668 -6.013 1.00 0.00 C ATOM 564 O ILE A 36 -7.266 -5.236 -6.255 1.00 0.00 O ATOM 565 CB ILE A 36 -7.868 -6.136 -3.520 1.00 0.00 C ATOM 566 CG1 ILE A 36 -6.374 -6.553 -3.433 1.00 0.00 C ATOM 567 CG2 ILE A 36 -8.627 -6.671 -2.291 1.00 0.00 C ATOM 568 CD1 ILE A 36 -5.614 -5.968 -2.240 1.00 0.00 C ATOM 0 H ILE A 36 -7.225 -7.874 -5.781 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.638 -6.662 -4.563 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.882 -5.046 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.317 -7.640 -3.385 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.872 -6.248 -4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.131 -6.332 -1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.652 -6.300 -2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.636 -7.761 -2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.580 -6.314 -2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.634 -4.880 -2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.086 -6.294 -1.313 1.00 0.00 H new ATOM 580 N PRO A 37 -9.471 -5.287 -6.729 1.00 0.00 N ATOM 581 CA PRO A 37 -9.430 -4.384 -7.877 1.00 0.00 C ATOM 582 C PRO A 37 -9.132 -2.932 -7.477 1.00 0.00 C ATOM 583 O PRO A 37 -9.191 -2.598 -6.290 1.00 0.00 O ATOM 584 CB PRO A 37 -10.840 -4.441 -8.494 1.00 0.00 C ATOM 585 CG PRO A 37 -11.482 -5.691 -7.916 1.00 0.00 C ATOM 586 CD PRO A 37 -10.835 -5.749 -6.541 1.00 0.00 C ATOM 0 HA PRO A 37 -8.638 -4.691 -8.560 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.416 -3.551 -8.241 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.791 -4.491 -9.582 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.567 -5.606 -7.857 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.264 -6.578 -8.511 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.368 -5.117 -5.830 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.853 -6.763 -6.142 1.00 0.00 H new ATOM 594 N PRO A 38 -8.855 -2.031 -8.441 1.00 0.00 N ATOM 595 CA PRO A 38 -8.604 -0.622 -8.164 1.00 0.00 C ATOM 596 C PRO A 38 -9.946 0.107 -7.928 1.00 0.00 C ATOM 597 O PRO A 38 -10.275 1.093 -8.591 1.00 0.00 O ATOM 598 CB PRO A 38 -7.859 -0.112 -9.405 1.00 0.00 C ATOM 599 CG PRO A 38 -8.477 -0.937 -10.534 1.00 0.00 C ATOM 600 CD PRO A 38 -8.731 -2.291 -9.870 1.00 0.00 C ATOM 0 HA PRO A 38 -8.014 -0.449 -7.264 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.009 0.957 -9.556 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.784 -0.275 -9.327 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.400 -0.489 -10.903 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.802 -1.025 -11.386 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.638 -2.751 -10.261 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.911 -2.981 -10.070 1.00 0.00 H new ATOM 608 N ASP A 39 -10.734 -0.358 -6.963 1.00 0.00 N ATOM 609 CA ASP A 39 -12.031 0.157 -6.541 1.00 0.00 C ATOM 610 C ASP A 39 -12.081 -0.107 -5.048 1.00 0.00 C ATOM 611 O ASP A 39 -11.805 -1.231 -4.622 1.00 0.00 O ATOM 612 CB ASP A 39 -13.199 -0.527 -7.255 1.00 0.00 C ATOM 613 CG ASP A 39 -14.526 -0.156 -6.587 1.00 0.00 C ATOM 614 OD1 ASP A 39 -14.759 1.044 -6.311 1.00 0.00 O ATOM 615 OD2 ASP A 39 -15.345 -1.066 -6.331 1.00 0.00 O ATOM 0 H ASP A 39 -10.459 -1.171 -6.412 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.132 1.214 -6.788 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.217 -0.229 -8.303 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -13.064 -1.608 -7.233 1.00 0.00 H new ATOM 620 N GLN A 40 -12.426 0.920 -4.265 1.00 0.00 N ATOM 621 CA GLN A 40 -12.473 0.872 -2.809 1.00 0.00 C ATOM 622 C GLN A 40 -11.138 0.309 -2.327 1.00 0.00 C ATOM 623 O GLN A 40 -11.067 -0.686 -1.601 1.00 0.00 O ATOM 624 CB GLN A 40 -13.708 0.131 -2.271 1.00 0.00 C ATOM 625 CG GLN A 40 -15.059 0.708 -2.717 1.00 0.00 C ATOM 626 CD GLN A 40 -15.069 2.228 -2.888 1.00 0.00 C ATOM 627 OE1 GLN A 40 -14.797 3.002 -1.967 1.00 0.00 O ATOM 628 NE2 GLN A 40 -15.307 2.690 -4.101 1.00 0.00 N ATOM 0 H GLN A 40 -12.687 1.831 -4.642 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.600 1.875 -2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.653 -0.911 -2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.670 0.137 -1.182 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.344 0.246 -3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.818 0.431 -1.985 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.531 2.044 -4.858 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.267 3.693 -4.282 1.00 0.00 H new ATOM 637 N ASN A 41 -10.059 0.948 -2.793 1.00 0.00 N ATOM 638 CA ASN A 41 -8.706 0.562 -2.467 1.00 0.00 C ATOM 639 C ASN A 41 -7.846 1.816 -2.317 1.00 0.00 C ATOM 640 O ASN A 41 -7.908 2.699 -3.173 1.00 0.00 O ATOM 641 CB ASN A 41 -8.206 -0.314 -3.623 1.00 0.00 C ATOM 642 CG ASN A 41 -6.903 -1.014 -3.295 1.00 0.00 C ATOM 643 OD1 ASN A 41 -5.829 -0.568 -3.694 1.00 0.00 O ATOM 644 ND2 ASN A 41 -6.976 -2.152 -2.624 1.00 0.00 N ATOM 0 H ASN A 41 -10.115 1.756 -3.413 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.655 0.011 -1.528 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.964 -1.059 -3.865 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.070 0.304 -4.511 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.128 -2.683 -2.426 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.881 -2.499 -2.305 1.00 0.00 H new ATOM 651 N ARG A 42 -7.040 1.922 -1.261 1.00 0.00 N ATOM 652 CA ARG A 42 -6.145 3.044 -0.975 1.00 0.00 C ATOM 653 C ARG A 42 -5.113 2.551 0.033 1.00 0.00 C ATOM 654 O ARG A 42 -5.479 1.952 1.043 1.00 0.00 O ATOM 655 CB ARG A 42 -6.956 4.222 -0.410 1.00 0.00 C ATOM 656 CG ARG A 42 -6.087 5.416 0.005 1.00 0.00 C ATOM 657 CD ARG A 42 -6.962 6.618 0.372 1.00 0.00 C ATOM 658 NE ARG A 42 -7.574 7.246 -0.811 1.00 0.00 N ATOM 659 CZ ARG A 42 -7.018 8.176 -1.592 1.00 0.00 C ATOM 660 NH1 ARG A 42 -5.736 8.507 -1.449 1.00 0.00 N ATOM 661 NH2 ARG A 42 -7.745 8.775 -2.522 1.00 0.00 N ATOM 0 H ARG A 42 -6.991 1.194 -0.548 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.645 3.395 -1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.677 4.550 -1.159 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.527 3.880 0.453 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.463 5.140 0.855 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.415 5.684 -0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.747 6.298 1.057 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.359 7.356 0.901 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.515 6.941 -1.058 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.167 8.049 -0.737 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.323 9.219 -2.052 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.727 8.526 -2.641 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.323 9.486 -3.120 1.00 0.00 H new ATOM 675 N LEU A 43 -3.837 2.843 -0.212 1.00 0.00 N ATOM 676 CA LEU A 43 -2.722 2.431 0.634 1.00 0.00 C ATOM 677 C LEU A 43 -2.481 3.485 1.719 1.00 0.00 C ATOM 678 O LEU A 43 -2.579 4.683 1.449 1.00 0.00 O ATOM 679 CB LEU A 43 -1.503 2.229 -0.282 1.00 0.00 C ATOM 680 CG LEU A 43 -0.306 1.529 0.381 1.00 0.00 C ATOM 681 CD1 LEU A 43 -0.589 0.068 0.751 1.00 0.00 C ATOM 682 CD2 LEU A 43 0.879 1.547 -0.591 1.00 0.00 C ATOM 0 H LEU A 43 -3.544 3.386 -1.024 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.929 1.496 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.811 1.646 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.178 3.202 -0.650 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.093 2.072 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.296 -0.368 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.424 0.025 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.841 -0.493 -0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.735 1.053 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.606 1.023 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.140 2.579 -0.827 1.00 0.00 H new ATOM 694 N ILE A 44 -2.133 3.054 2.933 1.00 0.00 N ATOM 695 CA ILE A 44 -1.893 3.895 4.106 1.00 0.00 C ATOM 696 C ILE A 44 -0.611 3.438 4.827 1.00 0.00 C ATOM 697 O ILE A 44 -0.361 2.234 4.924 1.00 0.00 O ATOM 698 CB ILE A 44 -3.092 3.741 5.085 1.00 0.00 C ATOM 699 CG1 ILE A 44 -4.513 3.742 4.473 1.00 0.00 C ATOM 700 CG2 ILE A 44 -3.027 4.756 6.240 1.00 0.00 C ATOM 701 CD1 ILE A 44 -4.989 5.067 3.872 1.00 0.00 C ATOM 0 H ILE A 44 -2.005 2.062 3.134 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.783 4.932 3.790 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.951 2.725 5.452 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.552 2.979 3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.220 3.443 5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.883 4.613 6.899 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.106 4.607 6.804 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.045 5.768 5.836 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.997 4.945 3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.994 5.836 4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.316 5.365 3.068 1.00 0.00 H new ATOM 713 N PHE A 45 0.164 4.368 5.397 1.00 0.00 N ATOM 714 CA PHE A 45 1.391 4.100 6.154 1.00 0.00 C ATOM 715 C PHE A 45 1.309 4.930 7.430 1.00 0.00 C ATOM 716 O PHE A 45 1.241 6.159 7.358 1.00 0.00 O ATOM 717 CB PHE A 45 2.662 4.430 5.358 1.00 0.00 C ATOM 718 CG PHE A 45 3.955 4.373 6.157 1.00 0.00 C ATOM 719 CD1 PHE A 45 4.319 3.203 6.856 1.00 0.00 C ATOM 720 CD2 PHE A 45 4.826 5.481 6.166 1.00 0.00 C ATOM 721 CE1 PHE A 45 5.528 3.152 7.572 1.00 0.00 C ATOM 722 CE2 PHE A 45 6.051 5.415 6.852 1.00 0.00 C ATOM 723 CZ PHE A 45 6.395 4.258 7.570 1.00 0.00 C ATOM 0 H PHE A 45 -0.054 5.363 5.342 1.00 0.00 H new ATOM 0 HA PHE A 45 1.462 3.035 6.377 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.739 3.736 4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.558 5.429 4.935 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.666 2.343 6.841 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.551 6.385 5.643 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.791 2.262 8.124 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.729 6.255 6.827 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.324 4.218 8.119 1.00 0.00 H new ATOM 733 N ALA A 46 1.281 4.263 8.593 1.00 0.00 N ATOM 734 CA ALA A 46 1.184 4.886 9.915 1.00 0.00 C ATOM 735 C ALA A 46 0.056 5.928 9.955 1.00 0.00 C ATOM 736 O ALA A 46 0.232 7.060 10.406 1.00 0.00 O ATOM 737 CB ALA A 46 2.545 5.447 10.335 1.00 0.00 C ATOM 0 H ALA A 46 1.327 3.245 8.638 1.00 0.00 H new ATOM 0 HA ALA A 46 0.914 4.129 10.651 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.461 5.908 11.319 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.275 4.639 10.374 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.869 6.195 9.611 1.00 0.00 H new ATOM 743 N GLY A 47 -1.091 5.574 9.374 1.00 0.00 N ATOM 744 CA GLY A 47 -2.278 6.406 9.308 1.00 0.00 C ATOM 745 C GLY A 47 -2.262 7.450 8.195 1.00 0.00 C ATOM 746 O GLY A 47 -3.325 7.985 7.880 1.00 0.00 O ATOM 0 H GLY A 47 -1.216 4.668 8.923 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.148 5.764 9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.402 6.915 10.264 1.00 0.00 H new ATOM 750 N LYS A 48 -1.112 7.798 7.603 1.00 0.00 N ATOM 751 CA LYS A 48 -1.076 8.791 6.531 1.00 0.00 C ATOM 752 C LYS A 48 -1.516 8.092 5.259 1.00 0.00 C ATOM 753 O LYS A 48 -1.018 7.010 4.942 1.00 0.00 O ATOM 754 CB LYS A 48 0.316 9.422 6.378 1.00 0.00 C ATOM 755 CG LYS A 48 0.367 10.380 5.170 1.00 0.00 C ATOM 756 CD LYS A 48 1.389 11.514 5.317 1.00 0.00 C ATOM 757 CE LYS A 48 0.864 12.583 6.286 1.00 0.00 C ATOM 758 NZ LYS A 48 1.823 13.691 6.455 1.00 0.00 N ATOM 0 H LYS A 48 -0.202 7.408 7.849 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.747 9.618 6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.573 9.966 7.287 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.062 8.637 6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.603 9.806 4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.622 10.813 5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.335 11.115 5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.588 11.962 4.343 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.083 12.976 5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.662 12.127 7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.431 14.391 7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.718 13.321 6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.997 14.143 5.535 1.00 0.00 H new ATOM 772 N GLN A 49 -2.483 8.688 4.573 1.00 0.00 N ATOM 773 CA GLN A 49 -3.008 8.156 3.333 1.00 0.00 C ATOM 774 C GLN A 49 -1.959 8.426 2.261 1.00 0.00 C ATOM 775 O GLN A 49 -1.395 9.522 2.208 1.00 0.00 O ATOM 776 CB GLN A 49 -4.358 8.785 2.952 1.00 0.00 C ATOM 777 CG GLN A 49 -5.373 8.947 4.103 1.00 0.00 C ATOM 778 CD GLN A 49 -5.063 10.137 5.014 1.00 0.00 C ATOM 779 OE1 GLN A 49 -4.570 11.165 4.557 1.00 0.00 O ATOM 780 NE2 GLN A 49 -5.270 10.028 6.310 1.00 0.00 N ATOM 0 H GLN A 49 -2.924 9.559 4.868 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.201 7.089 3.439 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.170 9.767 2.518 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.815 8.174 2.173 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.372 9.068 3.684 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.386 8.035 4.699 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.679 9.175 6.691 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.021 10.797 6.933 1.00 0.00 H new ATOM 789 N LEU A 50 -1.708 7.438 1.410 1.00 0.00 N ATOM 790 CA LEU A 50 -0.724 7.517 0.343 1.00 0.00 C ATOM 791 C LEU A 50 -1.463 7.484 -0.979 1.00 0.00 C ATOM 792 O LEU A 50 -2.591 6.984 -1.071 1.00 0.00 O ATOM 793 CB LEU A 50 0.270 6.340 0.394 1.00 0.00 C ATOM 794 CG LEU A 50 0.729 5.878 1.787 1.00 0.00 C ATOM 795 CD1 LEU A 50 1.705 4.715 1.608 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.394 6.970 2.627 1.00 0.00 C ATOM 0 H LEU A 50 -2.194 6.542 1.445 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.153 8.439 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.185 5.489 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.154 6.617 -0.180 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.167 5.585 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.044 4.371 2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.205 3.897 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.563 5.047 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.686 6.558 3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.278 7.341 2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.692 7.790 2.779 1.00 0.00 H new ATOM 808 N GLU A 51 -0.831 8.044 -1.997 1.00 0.00 N ATOM 809 CA GLU A 51 -1.353 8.114 -3.343 1.00 0.00 C ATOM 810 C GLU A 51 -0.186 8.156 -4.330 1.00 0.00 C ATOM 811 O GLU A 51 0.981 8.282 -3.937 1.00 0.00 O ATOM 812 CB GLU A 51 -2.260 9.356 -3.436 1.00 0.00 C ATOM 813 CG GLU A 51 -1.546 10.685 -3.129 1.00 0.00 C ATOM 814 CD GLU A 51 -2.514 11.700 -2.536 1.00 0.00 C ATOM 815 OE1 GLU A 51 -2.328 12.138 -1.376 1.00 0.00 O ATOM 816 OE2 GLU A 51 -3.482 12.086 -3.229 1.00 0.00 O ATOM 0 H GLU A 51 0.089 8.475 -1.902 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.951 7.238 -3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.684 9.408 -4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.093 9.236 -2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.726 10.509 -2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.108 11.086 -4.043 1.00 0.00 H new ATOM 823 N ASP A 52 -0.528 8.118 -5.611 1.00 0.00 N ATOM 824 CA ASP A 52 0.383 8.126 -6.743 1.00 0.00 C ATOM 825 C ASP A 52 1.007 9.501 -6.945 1.00 0.00 C ATOM 826 O ASP A 52 0.537 10.521 -6.433 1.00 0.00 O ATOM 827 CB ASP A 52 -0.316 7.636 -8.021 1.00 0.00 C ATOM 828 CG ASP A 52 -1.546 8.461 -8.384 1.00 0.00 C ATOM 829 OD1 ASP A 52 -2.668 8.005 -8.050 1.00 0.00 O ATOM 830 OD2 ASP A 52 -1.414 9.555 -8.967 1.00 0.00 O ATOM 0 H ASP A 52 -1.505 8.079 -5.902 1.00 0.00 H new ATOM 0 HA ASP A 52 1.192 7.430 -6.520 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.392 7.666 -8.849 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.610 6.595 -7.891 1.00 0.00 H new ATOM 835 N GLY A 53 2.127 9.477 -7.663 1.00 0.00 N ATOM 836 CA GLY A 53 2.957 10.619 -7.997 1.00 0.00 C ATOM 837 C GLY A 53 4.215 10.620 -7.125 1.00 0.00 C ATOM 838 O GLY A 53 5.240 11.145 -7.550 1.00 0.00 O ATOM 0 H GLY A 53 2.496 8.607 -8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.234 10.583 -9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.398 11.543 -7.846 1.00 0.00 H new ATOM 842 N ARG A 54 4.153 10.044 -5.917 1.00 0.00 N ATOM 843 CA ARG A 54 5.267 9.960 -4.969 1.00 0.00 C ATOM 844 C ARG A 54 5.821 8.540 -4.883 1.00 0.00 C ATOM 845 O ARG A 54 5.169 7.588 -5.327 1.00 0.00 O ATOM 846 CB ARG A 54 4.773 10.427 -3.598 1.00 0.00 C ATOM 847 CG ARG A 54 4.564 11.938 -3.499 1.00 0.00 C ATOM 848 CD ARG A 54 4.207 12.260 -2.048 1.00 0.00 C ATOM 849 NE ARG A 54 3.202 13.318 -1.948 1.00 0.00 N ATOM 850 CZ ARG A 54 2.687 13.769 -0.801 1.00 0.00 C ATOM 851 NH1 ARG A 54 3.126 13.327 0.370 1.00 0.00 N ATOM 852 NH2 ARG A 54 1.681 14.619 -0.831 1.00 0.00 N ATOM 0 H ARG A 54 3.300 9.611 -5.564 1.00 0.00 H new ATOM 0 HA ARG A 54 6.079 10.600 -5.313 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.833 9.924 -3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.492 10.119 -2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.467 12.470 -3.798 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.767 12.259 -4.170 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.834 11.360 -1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.107 12.564 -1.513 1.00 0.00 H new ATOM 0 HE ARG A 54 2.871 13.741 -2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.870 12.630 0.406 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.720 13.684 1.235 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.301 14.928 -1.726 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.282 14.968 0.040 1.00 0.00 H new ATOM 866 N THR A 55 6.955 8.404 -4.200 1.00 0.00 N ATOM 867 CA THR A 55 7.704 7.177 -3.978 1.00 0.00 C ATOM 868 C THR A 55 7.780 6.815 -2.492 1.00 0.00 C ATOM 869 O THR A 55 7.413 7.609 -1.622 1.00 0.00 O ATOM 870 CB THR A 55 9.118 7.352 -4.566 1.00 0.00 C ATOM 871 OG1 THR A 55 9.806 8.437 -3.959 1.00 0.00 O ATOM 872 CG2 THR A 55 9.122 7.550 -6.081 1.00 0.00 C ATOM 0 H THR A 55 7.403 9.206 -3.758 1.00 0.00 H new ATOM 0 HA THR A 55 7.189 6.355 -4.475 1.00 0.00 H new ATOM 0 HB THR A 55 9.634 6.417 -4.347 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.260 9.248 -4.025 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.148 7.667 -6.430 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.672 6.682 -6.563 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.549 8.443 -6.333 1.00 0.00 H new ATOM 880 N LEU A 56 8.283 5.614 -2.182 1.00 0.00 N ATOM 881 CA LEU A 56 8.434 5.117 -0.814 1.00 0.00 C ATOM 882 C LEU A 56 9.187 6.100 0.084 1.00 0.00 C ATOM 883 O LEU A 56 8.750 6.367 1.207 1.00 0.00 O ATOM 884 CB LEU A 56 9.183 3.771 -0.799 1.00 0.00 C ATOM 885 CG LEU A 56 8.324 2.580 -0.345 1.00 0.00 C ATOM 886 CD1 LEU A 56 7.526 2.001 -1.514 1.00 0.00 C ATOM 887 CD2 LEU A 56 9.222 1.505 0.271 1.00 0.00 C ATOM 0 H LEU A 56 8.601 4.951 -2.889 1.00 0.00 H new ATOM 0 HA LEU A 56 7.424 4.992 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.565 3.569 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.046 3.855 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 56 7.613 2.929 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.927 1.160 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.869 2.769 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.212 1.661 -2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.611 0.661 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.946 1.167 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.749 1.920 1.130 1.00 0.00 H new ATOM 899 N SER A 57 10.332 6.609 -0.381 1.00 0.00 N ATOM 900 CA SER A 57 11.148 7.538 0.385 1.00 0.00 C ATOM 901 C SER A 57 10.412 8.849 0.641 1.00 0.00 C ATOM 902 O SER A 57 10.651 9.473 1.671 1.00 0.00 O ATOM 903 CB SER A 57 12.519 7.764 -0.264 1.00 0.00 C ATOM 904 OG SER A 57 13.497 7.787 0.760 1.00 0.00 O ATOM 0 H SER A 57 10.714 6.385 -1.300 1.00 0.00 H new ATOM 0 HA SER A 57 11.334 7.080 1.357 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.736 6.970 -0.979 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.527 8.703 -0.818 1.00 0.00 H new ATOM 0 HG SER A 57 14.382 7.929 0.364 1.00 0.00 H new ATOM 910 N ASP A 58 9.537 9.297 -0.265 1.00 0.00 N ATOM 911 CA ASP A 58 8.791 10.540 -0.065 1.00 0.00 C ATOM 912 C ASP A 58 7.936 10.400 1.187 1.00 0.00 C ATOM 913 O ASP A 58 7.893 11.312 2.012 1.00 0.00 O ATOM 914 CB ASP A 58 7.927 10.904 -1.278 1.00 0.00 C ATOM 915 CG ASP A 58 8.773 11.250 -2.494 1.00 0.00 C ATOM 916 OD1 ASP A 58 8.467 10.763 -3.606 1.00 0.00 O ATOM 917 OD2 ASP A 58 9.755 12.009 -2.320 1.00 0.00 O ATOM 0 H ASP A 58 9.329 8.818 -1.141 1.00 0.00 H new ATOM 0 HA ASP A 58 9.504 11.355 0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.269 10.069 -1.519 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.288 11.751 -1.028 1.00 0.00 H new ATOM 922 N TYR A 59 7.262 9.261 1.367 1.00 0.00 N ATOM 923 CA TYR A 59 6.432 9.009 2.547 1.00 0.00 C ATOM 924 C TYR A 59 7.291 8.538 3.727 1.00 0.00 C ATOM 925 O TYR A 59 6.757 8.248 4.804 1.00 0.00 O ATOM 926 CB TYR A 59 5.340 7.996 2.214 1.00 0.00 C ATOM 927 CG TYR A 59 4.358 8.502 1.183 1.00 0.00 C ATOM 928 CD1 TYR A 59 3.349 9.419 1.541 1.00 0.00 C ATOM 929 CD2 TYR A 59 4.458 8.051 -0.143 1.00 0.00 C ATOM 930 CE1 TYR A 59 2.410 9.844 0.584 1.00 0.00 C ATOM 931 CE2 TYR A 59 3.540 8.492 -1.103 1.00 0.00 C ATOM 932 CZ TYR A 59 2.495 9.366 -0.742 1.00 0.00 C ATOM 933 OH TYR A 59 1.588 9.774 -1.669 1.00 0.00 O ATOM 0 H TYR A 59 7.276 8.489 0.700 1.00 0.00 H new ATOM 0 HA TYR A 59 5.952 9.941 2.844 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.802 7.079 1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.801 7.739 3.126 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.297 9.796 2.552 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.243 7.364 -0.422 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.627 10.534 0.862 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.633 8.161 -2.127 1.00 0.00 H new ATOM 0 HH TYR A 59 1.688 9.237 -2.483 1.00 0.00 H new ATOM 943 N ASN A 60 8.612 8.464 3.530 1.00 0.00 N ATOM 944 CA ASN A 60 9.618 8.054 4.491 1.00 0.00 C ATOM 945 C ASN A 60 9.299 6.658 5.020 1.00 0.00 C ATOM 946 O ASN A 60 9.385 6.391 6.222 1.00 0.00 O ATOM 947 CB ASN A 60 9.706 9.146 5.567 1.00 0.00 C ATOM 948 CG ASN A 60 10.913 9.031 6.476 1.00 0.00 C ATOM 949 OD1 ASN A 60 11.888 8.348 6.193 1.00 0.00 O ATOM 950 ND2 ASN A 60 10.897 9.774 7.570 1.00 0.00 N ATOM 0 H ASN A 60 9.025 8.708 2.630 1.00 0.00 H new ATOM 0 HA ASN A 60 10.606 7.961 4.041 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.725 10.120 5.078 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.803 9.113 6.176 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.705 9.783 8.192 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.076 10.338 7.792 1.00 0.00 H new ATOM 957 N ILE A 61 8.987 5.733 4.109 1.00 0.00 N ATOM 958 CA ILE A 61 8.636 4.360 4.444 1.00 0.00 C ATOM 959 C ILE A 61 9.954 3.612 4.584 1.00 0.00 C ATOM 960 O ILE A 61 10.778 3.606 3.669 1.00 0.00 O ATOM 961 CB ILE A 61 7.742 3.766 3.328 1.00 0.00 C ATOM 962 CG1 ILE A 61 6.356 4.443 3.356 1.00 0.00 C ATOM 963 CG2 ILE A 61 7.553 2.246 3.484 1.00 0.00 C ATOM 964 CD1 ILE A 61 5.549 4.283 2.069 1.00 0.00 C ATOM 0 H ILE A 61 8.972 5.924 3.107 1.00 0.00 H new ATOM 0 HA ILE A 61 8.065 4.287 5.370 1.00 0.00 H new ATOM 0 HB ILE A 61 8.244 3.952 2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.781 4.031 4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.488 5.506 3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.919 1.874 2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.524 1.752 3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.082 2.035 4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.589 4.789 2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.100 4.722 1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.381 3.224 1.874 1.00 0.00 H new ATOM 976 N GLN A 62 10.152 3.017 5.758 1.00 0.00 N ATOM 977 CA GLN A 62 11.352 2.263 6.082 1.00 0.00 C ATOM 978 C GLN A 62 11.147 0.805 5.678 1.00 0.00 C ATOM 979 O GLN A 62 10.037 0.392 5.324 1.00 0.00 O ATOM 980 CB GLN A 62 11.662 2.400 7.584 1.00 0.00 C ATOM 981 CG GLN A 62 11.775 3.858 8.064 1.00 0.00 C ATOM 982 CD GLN A 62 12.742 4.678 7.206 1.00 0.00 C ATOM 983 OE1 GLN A 62 13.956 4.546 7.323 1.00 0.00 O ATOM 984 NE2 GLN A 62 12.230 5.526 6.332 1.00 0.00 N ATOM 0 H GLN A 62 9.472 3.048 6.518 1.00 0.00 H new ATOM 0 HA GLN A 62 12.207 2.655 5.532 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.880 1.899 8.154 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.596 1.882 7.801 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.789 4.323 8.042 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.111 3.872 9.101 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.218 5.623 6.248 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.847 6.084 5.741 1.00 0.00 H new ATOM 993 N LYS A 63 12.224 0.021 5.698 1.00 0.00 N ATOM 994 CA LYS A 63 12.156 -1.386 5.328 1.00 0.00 C ATOM 995 C LYS A 63 11.380 -2.194 6.360 1.00 0.00 C ATOM 996 O LYS A 63 11.238 -1.781 7.517 1.00 0.00 O ATOM 997 CB LYS A 63 13.548 -1.930 5.016 1.00 0.00 C ATOM 998 CG LYS A 63 14.527 -2.002 6.187 1.00 0.00 C ATOM 999 CD LYS A 63 15.848 -2.583 5.676 1.00 0.00 C ATOM 1000 CE LYS A 63 16.971 -2.376 6.690 1.00 0.00 C ATOM 1001 NZ LYS A 63 18.179 -3.110 6.277 1.00 0.00 N ATOM 0 H LYS A 63 13.155 0.340 5.968 1.00 0.00 H new ATOM 0 HA LYS A 63 11.586 -1.487 4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.438 -2.932 4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.991 -1.309 4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.687 -1.010 6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.121 -2.626 6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.727 -3.648 5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.115 -2.109 4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.197 -1.313 6.780 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.649 -2.718 7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.933 -2.959 6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.964 -4.125 6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.494 -2.765 5.348 1.00 0.00 H new ATOM 1015 N GLU A 64 10.856 -3.327 5.907 1.00 0.00 N ATOM 1016 CA GLU A 64 10.055 -4.304 6.628 1.00 0.00 C ATOM 1017 C GLU A 64 8.902 -3.634 7.391 1.00 0.00 C ATOM 1018 O GLU A 64 8.486 -4.089 8.458 1.00 0.00 O ATOM 1019 CB GLU A 64 10.973 -5.178 7.503 1.00 0.00 C ATOM 1020 CG GLU A 64 11.813 -6.171 6.688 1.00 0.00 C ATOM 1021 CD GLU A 64 12.947 -5.540 5.869 1.00 0.00 C ATOM 1022 OE1 GLU A 64 12.803 -5.328 4.642 1.00 0.00 O ATOM 1023 OE2 GLU A 64 14.030 -5.333 6.464 1.00 0.00 O ATOM 0 H GLU A 64 10.995 -3.609 4.937 1.00 0.00 H new ATOM 0 HA GLU A 64 9.564 -4.974 5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.639 -4.534 8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.365 -5.729 8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.242 -6.906 7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.153 -6.712 6.010 1.00 0.00 H new ATOM 1030 N SER A 65 8.344 -2.562 6.826 1.00 0.00 N ATOM 1031 CA SER A 65 7.230 -1.825 7.401 1.00 0.00 C ATOM 1032 C SER A 65 5.938 -2.585 7.086 1.00 0.00 C ATOM 1033 O SER A 65 5.929 -3.457 6.216 1.00 0.00 O ATOM 1034 CB SER A 65 7.220 -0.399 6.834 1.00 0.00 C ATOM 1035 OG SER A 65 7.495 -0.382 5.446 1.00 0.00 O ATOM 0 H SER A 65 8.665 -2.178 5.937 1.00 0.00 H new ATOM 0 HA SER A 65 7.324 -1.743 8.484 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.247 0.058 7.017 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.960 0.206 7.358 1.00 0.00 H new ATOM 0 HG SER A 65 8.457 -0.260 5.305 1.00 0.00 H new ATOM 1041 N THR A 66 4.843 -2.280 7.777 1.00 0.00 N ATOM 1042 CA THR A 66 3.555 -2.924 7.557 1.00 0.00 C ATOM 1043 C THR A 66 2.566 -1.798 7.294 1.00 0.00 C ATOM 1044 O THR A 66 2.277 -0.982 8.169 1.00 0.00 O ATOM 1045 CB THR A 66 3.173 -3.877 8.703 1.00 0.00 C ATOM 1046 OG1 THR A 66 4.237 -4.777 8.969 1.00 0.00 O ATOM 1047 CG2 THR A 66 1.939 -4.707 8.331 1.00 0.00 C ATOM 0 H THR A 66 4.826 -1.572 8.511 1.00 0.00 H new ATOM 0 HA THR A 66 3.572 -3.593 6.697 1.00 0.00 H new ATOM 0 HB THR A 66 2.961 -3.267 9.581 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.983 -5.377 9.701 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.687 -5.374 9.156 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.099 -4.041 8.133 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.153 -5.297 7.440 1.00 0.00 H new ATOM 1055 N LEU A 67 2.067 -1.734 6.067 1.00 0.00 N ATOM 1056 CA LEU A 67 1.124 -0.735 5.605 1.00 0.00 C ATOM 1057 C LEU A 67 -0.289 -1.311 5.708 1.00 0.00 C ATOM 1058 O LEU A 67 -0.480 -2.496 6.010 1.00 0.00 O ATOM 1059 CB LEU A 67 1.489 -0.340 4.160 1.00 0.00 C ATOM 1060 CG LEU A 67 2.688 0.632 4.072 1.00 0.00 C ATOM 1061 CD1 LEU A 67 4.044 0.001 4.418 1.00 0.00 C ATOM 1062 CD2 LEU A 67 2.771 1.210 2.659 1.00 0.00 C ATOM 0 H LEU A 67 2.320 -2.404 5.341 1.00 0.00 H new ATOM 0 HA LEU A 67 1.165 0.165 6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.720 -1.241 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.622 0.121 3.687 1.00 0.00 H new ATOM 0 HG LEU A 67 2.499 1.403 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.828 0.753 4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.018 -0.379 5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.250 -0.819 3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.616 1.896 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.906 0.400 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.850 1.747 2.431 1.00 0.00 H new ATOM 1074 N HIS A 68 -1.294 -0.456 5.558 1.00 0.00 N ATOM 1075 CA HIS A 68 -2.706 -0.806 5.604 1.00 0.00 C ATOM 1076 C HIS A 68 -3.370 -0.456 4.278 1.00 0.00 C ATOM 1077 O HIS A 68 -2.902 0.427 3.561 1.00 0.00 O ATOM 1078 CB HIS A 68 -3.399 -0.043 6.742 1.00 0.00 C ATOM 1079 CG HIS A 68 -3.526 -0.815 8.025 1.00 0.00 C ATOM 1080 ND1 HIS A 68 -2.893 -0.522 9.210 1.00 0.00 N ATOM 1081 CD2 HIS A 68 -4.445 -1.801 8.272 1.00 0.00 C ATOM 1082 CE1 HIS A 68 -3.443 -1.290 10.163 1.00 0.00 C ATOM 1083 NE2 HIS A 68 -4.387 -2.098 9.640 1.00 0.00 N ATOM 0 H HIS A 68 -1.140 0.539 5.395 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.798 -1.877 5.782 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.843 0.874 6.938 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.395 0.252 6.411 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.095 -2.265 7.545 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.167 -1.264 11.207 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.947 -2.788 10.140 1.00 0.00 H new ATOM 1091 N LEU A 69 -4.462 -1.144 3.960 1.00 0.00 N ATOM 1092 CA LEU A 69 -5.268 -0.930 2.767 1.00 0.00 C ATOM 1093 C LEU A 69 -6.667 -0.654 3.315 1.00 0.00 C ATOM 1094 O LEU A 69 -7.158 -1.498 4.073 1.00 0.00 O ATOM 1095 CB LEU A 69 -5.175 -2.188 1.886 1.00 0.00 C ATOM 1096 CG LEU A 69 -3.924 -2.198 0.997 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -3.709 -3.610 0.442 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -4.029 -1.209 -0.169 1.00 0.00 C ATOM 0 H LEU A 69 -4.822 -1.894 4.550 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.951 -0.105 2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.170 -3.073 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.063 -2.253 1.257 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.080 -1.892 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.821 -3.621 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.575 -4.309 1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.577 -3.906 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.119 -1.254 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.886 -1.469 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.157 -0.199 0.221 1.00 0.00 H new ATOM 1110 N VAL A 70 -7.301 0.480 2.994 1.00 0.00 N ATOM 1111 CA VAL A 70 -8.640 0.828 3.497 1.00 0.00 C ATOM 1112 C VAL A 70 -9.530 1.524 2.452 1.00 0.00 C ATOM 1113 O VAL A 70 -9.065 1.958 1.392 1.00 0.00 O ATOM 1114 CB VAL A 70 -8.524 1.701 4.773 1.00 0.00 C ATOM 1115 CG1 VAL A 70 -7.636 1.090 5.870 1.00 0.00 C ATOM 1116 CG2 VAL A 70 -8.011 3.113 4.461 1.00 0.00 C ATOM 0 H VAL A 70 -6.901 1.186 2.376 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.132 -0.115 3.736 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.544 1.750 5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.606 1.760 6.729 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.046 0.127 6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.626 0.949 5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.946 3.689 5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.024 3.049 4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.698 3.606 3.774 1.00 0.00 H new ATOM 1126 N LEU A 71 -10.813 1.692 2.794 1.00 0.00 N ATOM 1127 CA LEU A 71 -11.844 2.343 1.992 1.00 0.00 C ATOM 1128 C LEU A 71 -12.750 3.181 2.902 1.00 0.00 C ATOM 1129 O LEU A 71 -12.437 3.404 4.076 1.00 0.00 O ATOM 1130 CB LEU A 71 -12.659 1.298 1.194 1.00 0.00 C ATOM 1131 CG LEU A 71 -13.596 0.403 2.051 1.00 0.00 C ATOM 1132 CD1 LEU A 71 -14.969 0.220 1.397 1.00 0.00 C ATOM 1133 CD2 LEU A 71 -12.984 -0.975 2.316 1.00 0.00 C ATOM 0 H LEU A 71 -11.175 1.358 3.687 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.370 3.006 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.261 1.820 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.965 0.656 0.651 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.721 0.925 2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.592 -0.412 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.446 1.192 1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.847 -0.251 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.672 -1.569 2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.803 -1.481 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.041 -0.858 2.851 1.00 0.00 H new