USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 123:sc= 0.544 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.493 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.0259 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0232 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 170:sc= 1.19 (180deg=-0.139) USER MOD Set 3.2: A 12 THR OG1 : rot 150:sc= 1 USER MOD Single : A 1 MET CE :methyl -174:sc= -0.0182 (180deg=-0.0566) USER MOD Single : A 1 MET N :NH3+ -170:sc= 2.51 (180deg=2.19) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.172 F(o=-0.67,f=-0.17) USER MOD Single : A 11 LYS NZ :NH3+ 143:sc= 1.19 (180deg=0.369) USER MOD Single : A 14 THR OG1 : rot -62:sc= 0.0161 USER MOD Single : A 20 SER OG : rot 180:sc= 0.081 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0281 USER MOD Single : A 25 ASN : amide:sc= -0.0487 K(o=-0.049,f=-0.99) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 1.16 (180deg=1.1) USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= 0.83 (180deg=0.537) USER MOD Single : A 31 GLN : amide:sc= -0.143 K(o=-0.14,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.342 K(o=-0.34,f=-0.88) USER MOD Single : A 41 GLN : amide:sc= 0.989 K(o=0.99,f=-4.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0366 X(o=-0.037,f=-0.52) USER MOD Single : A 59 TYR OH : rot 50:sc= 0.554 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,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 -70:sc= 0.0992 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0735 X(o=-0.073,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.739 -7.788 -5.108 1.00 9.67 N ATOM 2 CA MET A 1 11.619 -7.987 -3.681 1.00 10.38 C ATOM 3 C MET A 1 10.172 -8.292 -3.100 1.00 9.62 C ATOM 4 O MET A 1 9.190 -7.702 -3.540 1.00 9.62 O ATOM 5 CB MET A 1 12.154 -6.648 -3.079 1.00 13.77 C ATOM 6 CG MET A 1 11.989 -6.549 -1.591 1.00 16.29 C ATOM 7 SD MET A 1 12.743 -5.102 -0.749 1.00 17.17 S ATOM 8 CE MET A 1 11.202 -4.046 -0.735 1.00 16.11 C ATOM 0 H1 MET A 1 12.745 -7.767 -5.372 1.00 9.67 H new ATOM 0 H2 MET A 1 11.265 -8.567 -5.608 1.00 9.67 H new ATOM 0 H3 MET A 1 11.293 -6.886 -5.371 1.00 9.67 H new ATOM 0 HA MET A 1 12.166 -8.892 -3.415 1.00 10.38 H new ATOM 0 HB2 MET A 1 13.211 -6.545 -3.326 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.633 -5.814 -3.550 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.922 -6.548 -1.370 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.406 -7.452 -1.146 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.445 -3.053 -0.357 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.809 -3.963 -1.748 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.452 -4.506 -0.091 1.00 16.11 H new ATOM 20 N GLN A 2 10.061 -9.189 -2.100 1.00 9.27 N ATOM 21 CA GLN A 2 8.748 -9.513 -1.545 1.00 9.07 C ATOM 22 C GLN A 2 8.423 -8.678 -0.328 1.00 8.72 C ATOM 23 O GLN A 2 9.281 -8.377 0.524 1.00 8.22 O ATOM 24 CB GLN A 2 8.835 -10.993 -1.120 1.00 14.46 C ATOM 25 CG GLN A 2 7.462 -11.454 -0.571 1.00 17.01 C ATOM 26 CD GLN A 2 7.300 -12.905 -0.478 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.004 -13.578 -1.609 1.00 21.89 O flip ATOM 28 NE2 GLN A 2 7.436 -13.447 0.634 1.00 19.49 N flip ATOM 0 H GLN A 2 10.845 -9.685 -1.675 1.00 9.27 H new ATOM 0 HA GLN A 2 7.970 -9.318 -2.283 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.124 -11.610 -1.970 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.604 -11.119 -0.358 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.317 -11.021 0.419 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.676 -11.054 -1.212 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.660 -12.882 1.453 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.323 -14.457 0.727 1.00 19.49 H new ATOM 37 N ILE A 3 7.129 -8.200 -0.252 1.00 5.87 N ATOM 38 CA ILE A 3 6.656 -7.466 0.949 1.00 5.07 C ATOM 39 C ILE A 3 5.225 -7.950 1.222 1.00 4.01 C ATOM 40 O ILE A 3 4.656 -8.678 0.410 1.00 4.61 O ATOM 41 CB ILE A 3 6.480 -5.928 0.860 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.570 -5.565 -0.316 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.826 -5.186 0.747 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.245 -4.066 -0.442 1.00 10.83 C ATOM 0 H ILE A 3 6.430 -8.312 -0.987 1.00 5.87 H new ATOM 0 HA ILE A 3 7.435 -7.661 1.686 1.00 5.07 H new ATOM 0 HB ILE A 3 6.014 -5.604 1.791 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.043 -5.899 -1.240 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.636 -6.118 -0.218 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.646 -4.113 0.688 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.436 -5.404 1.624 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.349 -5.516 -0.150 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.596 -3.906 -1.303 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.740 -3.726 0.462 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.169 -3.503 -0.575 1.00 10.83 H new ATOM 56 N PHE A 4 4.709 -7.667 2.426 1.00 4.55 N ATOM 57 CA PHE A 4 3.444 -8.116 2.914 1.00 4.68 C ATOM 58 C PHE A 4 2.550 -6.971 3.189 1.00 5.30 C ATOM 59 O PHE A 4 2.918 -5.907 3.739 1.00 5.58 O ATOM 60 CB PHE A 4 3.556 -9.031 4.123 1.00 4.83 C ATOM 61 CG PHE A 4 4.483 -10.220 3.895 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.177 -11.222 2.967 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.705 -10.366 4.628 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.003 -12.322 2.764 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.509 -11.465 4.436 1.00 10.61 C ATOM 66 CZ PHE A 4 6.163 -12.458 3.549 1.00 8.90 C ATOM 0 H PHE A 4 5.206 -7.088 3.103 1.00 4.55 H new ATOM 0 HA PHE A 4 3.004 -8.720 2.121 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.918 -8.454 4.974 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.564 -9.398 4.386 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.269 -11.138 2.389 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.997 -9.606 5.338 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.758 -13.061 2.015 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.431 -11.550 4.993 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.780 -13.340 3.455 1.00 8.90 H new ATOM 76 N VAL A 5 1.257 -7.089 2.864 1.00 4.44 N ATOM 77 CA VAL A 5 0.192 -6.124 3.183 1.00 3.87 C ATOM 78 C VAL A 5 -0.780 -6.839 4.075 1.00 4.93 C ATOM 79 O VAL A 5 -1.333 -7.911 3.780 1.00 6.84 O ATOM 80 CB VAL A 5 -0.422 -5.599 1.913 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.799 -4.855 2.178 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.584 -4.671 1.208 1.00 9.13 C ATOM 0 H VAL A 5 0.906 -7.896 2.348 1.00 4.44 H new ATOM 0 HA VAL A 5 0.565 -5.244 3.707 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.649 -6.446 1.265 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.205 -4.493 1.233 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.505 -5.548 2.635 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.634 -4.012 2.848 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.143 -4.289 0.287 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.832 -3.837 1.865 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.490 -5.229 0.972 1.00 9.13 H new ATOM 92 N LYS A 6 -0.898 -6.309 5.266 1.00 6.04 N ATOM 93 CA LYS A 6 -1.949 -6.741 6.247 1.00 6.12 C ATOM 94 C LYS A 6 -3.005 -5.663 6.189 1.00 6.57 C ATOM 95 O LYS A 6 -2.883 -4.490 5.933 1.00 5.76 O ATOM 96 CB LYS A 6 -1.364 -6.907 7.627 1.00 7.45 C ATOM 97 CG LYS A 6 -0.749 -8.304 7.834 1.00 11.12 C ATOM 98 CD LYS A 6 -0.412 -8.522 9.325 1.00 14.54 C ATOM 99 CE LYS A 6 -0.206 -9.967 9.771 1.00 18.84 C ATOM 100 NZ LYS A 6 0.522 -10.751 8.688 1.00 20.55 N ATOM 0 H LYS A 6 -0.289 -5.568 5.613 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.374 -7.715 6.003 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.599 -6.148 7.789 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.142 -6.740 8.372 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.446 -9.070 7.495 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.153 -8.405 7.231 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.494 -7.961 9.556 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.215 -8.091 9.923 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.369 -9.991 10.697 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.169 -10.431 9.982 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.807 -11.678 9.063 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.110 -10.886 7.873 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.367 -10.225 8.387 1.00 20.55 H new ATOM 114 N THR A 7 -4.335 -6.025 6.496 1.00 7.41 N ATOM 115 CA THR A 7 -5.490 -5.144 6.464 1.00 7.48 C ATOM 116 C THR A 7 -6.074 -5.075 7.830 1.00 8.75 C ATOM 117 O THR A 7 -5.609 -5.796 8.690 1.00 8.58 O ATOM 118 CB THR A 7 -6.532 -5.528 5.466 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.286 -6.715 5.754 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.841 -5.756 4.111 1.00 9.17 C ATOM 0 H THR A 7 -4.581 -6.975 6.773 1.00 7.41 H new ATOM 0 HA THR A 7 -5.136 -4.166 6.138 1.00 7.48 H new ATOM 0 HB THR A 7 -7.246 -4.704 5.480 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.938 -6.870 5.039 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.585 -6.038 3.366 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.343 -4.838 3.797 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.104 -6.553 4.208 1.00 9.17 H new ATOM 128 N LEU A 8 -7.124 -4.281 8.020 1.00 9.84 N ATOM 129 CA LEU A 8 -7.788 -3.993 9.279 1.00 14.15 C ATOM 130 C LEU A 8 -8.515 -5.209 9.834 1.00 17.37 C ATOM 131 O LEU A 8 -8.418 -5.481 11.049 1.00 17.01 O ATOM 132 CB LEU A 8 -8.696 -2.769 9.147 1.00 16.63 C ATOM 133 CG LEU A 8 -9.349 -2.230 10.478 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.399 -2.165 11.625 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.054 -0.816 10.334 1.00 18.59 C ATOM 0 H LEU A 8 -7.561 -3.789 7.240 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.021 -3.747 10.014 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.117 -1.961 8.700 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.497 -3.012 8.448 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.114 -2.978 10.686 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.917 -1.786 12.506 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.012 -3.162 11.834 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.573 -1.500 11.376 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.476 -0.520 11.294 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.321 -0.075 10.016 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -10.850 -0.880 9.592 1.00 18.59 H new ATOM 147 N THR A 9 -9.055 -6.042 8.921 1.00 18.33 N ATOM 148 CA THR A 9 -9.705 -7.301 9.333 1.00 19.24 C ATOM 149 C THR A 9 -8.627 -8.397 9.272 1.00 19.48 C ATOM 150 O THR A 9 -8.969 -9.544 9.513 1.00 23.14 O ATOM 151 CB THR A 9 -10.896 -7.616 8.441 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.597 -7.316 7.110 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.103 -6.722 8.857 1.00 19.70 C ATOM 0 H THR A 9 -9.055 -5.871 7.915 1.00 18.33 H new ATOM 0 HA THR A 9 -10.105 -7.227 10.344 1.00 19.24 H new ATOM 0 HB THR A 9 -11.133 -8.675 8.547 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.371 -7.525 6.546 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.958 -6.946 8.219 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.363 -6.922 9.896 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.833 -5.672 8.747 1.00 19.70 H new ATOM 161 N GLY A 10 -7.381 -8.085 9.173 1.00 19.43 N ATOM 162 CA GLY A 10 -6.339 -9.034 9.455 1.00 18.74 C ATOM 163 C GLY A 10 -6.111 -9.949 8.309 1.00 17.62 C ATOM 164 O GLY A 10 -5.870 -11.138 8.541 1.00 19.74 O ATOM 0 H GLY A 10 -7.046 -7.163 8.894 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.416 -8.503 9.687 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.604 -9.615 10.338 1.00 18.74 H new ATOM 168 N LYS A 11 -6.101 -9.462 7.034 1.00 13.56 N ATOM 169 CA LYS A 11 -5.944 -10.383 5.927 1.00 11.91 C ATOM 170 C LYS A 11 -4.592 -10.139 5.274 1.00 10.18 C ATOM 171 O LYS A 11 -4.323 -9.038 4.838 1.00 9.10 O ATOM 172 CB LYS A 11 -6.955 -10.104 4.782 1.00 13.43 C ATOM 173 CG LYS A 11 -6.987 -10.971 3.530 1.00 16.69 C ATOM 174 CD LYS A 11 -8.162 -10.687 2.547 1.00 17.92 C ATOM 175 CE LYS A 11 -8.446 -11.977 1.772 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.420 -12.255 0.758 1.00 21.93 N ATOM 0 H LYS A 11 -6.197 -8.479 6.779 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.077 -11.383 6.340 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.952 -10.142 5.221 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.790 -9.078 4.454 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.047 -10.839 2.993 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.036 -12.017 3.834 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.049 -10.367 3.094 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.901 -9.880 1.863 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.500 -12.813 2.469 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -9.420 -11.901 1.289 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.249 -13.280 0.709 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.746 -11.914 -0.169 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.537 -11.769 1.015 1.00 21.93 H new ATOM 190 N THR A 12 -3.705 -11.164 5.286 1.00 9.63 N ATOM 191 CA THR A 12 -2.364 -11.054 4.792 1.00 9.85 C ATOM 192 C THR A 12 -2.135 -11.425 3.325 1.00 11.66 C ATOM 193 O THR A 12 -2.532 -12.494 2.874 1.00 12.33 O ATOM 194 CB THR A 12 -1.284 -11.817 5.638 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.436 -11.581 7.012 1.00 10.91 O ATOM 196 CG2 THR A 12 0.091 -11.390 5.227 1.00 9.63 C ATOM 0 H THR A 12 -3.931 -12.090 5.649 1.00 9.63 H new ATOM 0 HA THR A 12 -2.233 -9.977 4.892 1.00 9.85 H new ATOM 0 HB THR A 12 -1.422 -12.882 5.450 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.128 -12.364 7.514 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.831 -11.926 5.821 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.241 -11.615 4.171 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.203 -10.318 5.389 1.00 9.63 H new ATOM 204 N ILE A 13 -1.588 -10.412 2.527 1.00 10.42 N ATOM 205 CA ILE A 13 -1.368 -10.484 1.095 1.00 11.84 C ATOM 206 C ILE A 13 0.086 -10.239 0.868 1.00 10.55 C ATOM 207 O ILE A 13 0.659 -9.257 1.301 1.00 11.92 O ATOM 208 CB ILE A 13 -2.179 -9.330 0.401 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.662 -9.183 0.904 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.068 -9.453 -1.161 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.254 -7.814 0.461 1.00 16.46 C ATOM 0 H ILE A 13 -1.296 -9.517 2.920 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.680 -11.448 0.695 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.714 -8.392 0.705 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.270 -9.995 0.505 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.694 -9.265 1.990 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.634 -8.648 -1.630 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.022 -9.382 -1.458 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.471 -10.414 -1.480 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.281 -7.729 0.817 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.656 -7.006 0.882 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.241 -7.747 -0.627 1.00 16.46 H new ATOM 223 N THR A 14 0.722 -11.126 0.075 1.00 9.39 N ATOM 224 CA THR A 14 2.107 -10.939 -0.425 1.00 9.63 C ATOM 225 C THR A 14 2.049 -10.118 -1.666 1.00 11.20 C ATOM 226 O THR A 14 1.254 -10.374 -2.584 1.00 11.63 O ATOM 227 CB THR A 14 2.671 -12.266 -0.847 1.00 10.38 C ATOM 228 OG1 THR A 14 2.554 -13.163 0.210 1.00 16.30 O ATOM 229 CG2 THR A 14 4.173 -12.168 -1.228 1.00 11.66 C ATOM 0 H THR A 14 0.291 -11.996 -0.239 1.00 9.39 H new ATOM 0 HA THR A 14 2.708 -10.478 0.358 1.00 9.63 H new ATOM 0 HB THR A 14 2.112 -12.598 -1.722 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.073 -12.837 0.975 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.538 -13.151 -1.526 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.293 -11.470 -2.056 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.744 -11.815 -0.369 1.00 11.66 H new ATOM 237 N LEU A 15 2.976 -9.168 -1.823 1.00 8.29 N ATOM 238 CA LEU A 15 3.219 -8.448 -3.066 1.00 9.03 C ATOM 239 C LEU A 15 4.663 -8.700 -3.579 1.00 8.59 C ATOM 240 O LEU A 15 5.482 -9.248 -2.835 1.00 7.79 O ATOM 241 CB LEU A 15 3.085 -6.958 -2.917 1.00 11.08 C ATOM 242 CG LEU A 15 1.687 -6.491 -2.499 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.673 -4.920 -2.327 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.646 -6.849 -3.563 1.00 15.27 C ATOM 0 H LEU A 15 3.592 -8.874 -1.065 1.00 8.29 H new ATOM 0 HA LEU A 15 2.467 -8.822 -3.760 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.807 -6.612 -2.178 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.346 -6.485 -3.864 1.00 11.08 H new ATOM 0 HG LEU A 15 1.443 -6.989 -1.560 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.676 -4.595 -2.030 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.392 -4.631 -1.560 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.941 -4.448 -3.272 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.337 -6.506 -3.240 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.908 -6.367 -4.505 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.625 -7.930 -3.703 1.00 15.27 H new ATOM 256 N GLU A 16 4.908 -8.368 -4.827 1.00 11.04 N ATOM 257 CA GLU A 16 6.187 -8.379 -5.447 1.00 11.50 C ATOM 258 C GLU A 16 6.541 -7.029 -5.914 1.00 10.13 C ATOM 259 O GLU A 16 5.768 -6.442 -6.659 1.00 9.83 O ATOM 260 CB GLU A 16 6.310 -9.395 -6.584 1.00 17.22 C ATOM 261 CG GLU A 16 7.757 -9.538 -7.122 1.00 23.33 C ATOM 262 CD GLU A 16 8.817 -10.030 -6.124 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.516 -10.871 -5.259 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.947 -9.579 -6.250 1.00 28.90 O ATOM 0 H GLU A 16 4.168 -8.068 -5.461 1.00 11.04 H new ATOM 0 HA GLU A 16 6.896 -8.698 -4.683 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.962 -10.367 -6.233 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.653 -9.097 -7.401 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.740 -10.226 -7.967 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.075 -8.569 -7.506 1.00 23.33 H new ATOM 271 N VAL A 17 7.633 -6.434 -5.492 1.00 8.99 N ATOM 272 CA VAL A 17 7.857 -4.947 -5.664 1.00 8.85 C ATOM 273 C VAL A 17 9.371 -4.721 -5.728 1.00 8.04 C ATOM 274 O VAL A 17 10.142 -5.566 -5.350 1.00 8.99 O ATOM 275 CB VAL A 17 7.392 -4.062 -4.550 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.827 -4.125 -4.414 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.032 -4.360 -3.214 1.00 10.54 C ATOM 0 H VAL A 17 8.398 -6.921 -5.025 1.00 8.99 H new ATOM 0 HA VAL A 17 7.281 -4.682 -6.551 1.00 8.85 H new ATOM 0 HB VAL A 17 7.709 -3.056 -4.825 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.506 -3.476 -3.599 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.367 -3.793 -5.345 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.521 -5.150 -4.203 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.641 -3.675 -2.462 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.806 -5.386 -2.923 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.112 -4.235 -3.292 1.00 10.54 H new ATOM 287 N GLU A 18 9.789 -3.533 -6.165 1.00 7.29 N ATOM 288 CA GLU A 18 11.140 -3.119 -5.833 1.00 7.08 C ATOM 289 C GLU A 18 11.033 -1.884 -5.025 1.00 6.45 C ATOM 290 O GLU A 18 9.994 -1.258 -5.008 1.00 5.28 O ATOM 291 CB GLU A 18 11.878 -2.823 -7.182 1.00 10.28 C ATOM 292 CG GLU A 18 11.926 -4.051 -8.103 1.00 12.65 C ATOM 293 CD GLU A 18 12.847 -5.164 -7.569 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.954 -4.889 -6.994 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.432 -6.346 -7.549 1.00 14.33 O ATOM 0 H GLU A 18 9.242 -2.875 -6.720 1.00 7.29 H new ATOM 0 HA GLU A 18 11.687 -3.878 -5.274 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.374 -2.005 -7.697 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.894 -2.490 -6.972 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.918 -4.447 -8.225 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.269 -3.745 -9.091 1.00 12.65 H new ATOM 302 N PRO A 19 12.117 -1.490 -4.355 1.00 7.24 N ATOM 303 CA PRO A 19 11.980 -0.351 -3.424 1.00 7.07 C ATOM 304 C PRO A 19 11.783 0.983 -4.129 1.00 6.65 C ATOM 305 O PRO A 19 11.593 2.015 -3.524 1.00 6.37 O ATOM 306 CB PRO A 19 13.323 -0.372 -2.637 1.00 7.61 C ATOM 307 CG PRO A 19 13.732 -1.834 -2.603 1.00 8.16 C ATOM 308 CD PRO A 19 13.213 -2.398 -3.954 1.00 7.49 C ATOM 0 HA PRO A 19 11.096 -0.450 -2.795 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.079 0.239 -3.130 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.198 0.027 -1.630 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.813 -1.945 -2.512 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.286 -2.354 -1.755 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.004 -2.416 -4.704 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.856 -3.422 -3.843 1.00 7.49 H new ATOM 316 N SER A 20 11.899 0.952 -5.454 1.00 6.80 N ATOM 317 CA SER A 20 11.685 2.004 -6.438 1.00 6.28 C ATOM 318 C SER A 20 10.296 2.172 -6.984 1.00 8.45 C ATOM 319 O SER A 20 10.000 3.154 -7.660 1.00 7.26 O ATOM 320 CB SER A 20 12.633 1.740 -7.665 1.00 8.57 C ATOM 321 OG SER A 20 12.613 0.362 -8.023 1.00 11.13 O ATOM 0 H SER A 20 12.178 0.086 -5.915 1.00 6.80 H new ATOM 0 HA SER A 20 11.891 2.921 -5.887 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.317 2.347 -8.513 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.650 2.043 -7.418 1.00 8.57 H new ATOM 0 HG SER A 20 13.206 0.214 -8.789 1.00 11.13 H new ATOM 327 N ASP A 21 9.337 1.302 -6.563 1.00 7.50 N ATOM 328 CA ASP A 21 7.994 1.457 -6.947 1.00 7.70 C ATOM 329 C ASP A 21 7.248 2.476 -6.121 1.00 7.08 C ATOM 330 O ASP A 21 7.451 2.661 -4.934 1.00 8.11 O ATOM 331 CB ASP A 21 7.293 0.075 -7.027 1.00 11.00 C ATOM 332 CG ASP A 21 7.749 -0.822 -8.114 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.892 -0.334 -9.255 1.00 18.03 O ATOM 334 OD2 ASP A 21 8.025 -2.029 -7.903 1.00 14.36 O ATOM 0 H ASP A 21 9.516 0.500 -5.958 1.00 7.50 H new ATOM 0 HA ASP A 21 7.982 1.882 -7.951 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.435 -0.438 -6.076 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.222 0.239 -7.144 1.00 11.00 H new ATOM 339 N THR A 22 6.352 3.264 -6.737 1.00 5.37 N ATOM 340 CA THR A 22 5.568 4.271 -5.987 1.00 6.01 C ATOM 341 C THR A 22 4.366 3.605 -5.383 1.00 8.01 C ATOM 342 O THR A 22 3.966 2.484 -5.761 1.00 8.11 O ATOM 343 CB THR A 22 5.066 5.353 -6.893 1.00 8.92 C ATOM 344 OG1 THR A 22 4.495 4.770 -8.032 1.00 10.22 O ATOM 345 CG2 THR A 22 6.303 6.229 -7.351 1.00 9.65 C ATOM 0 H THR A 22 6.151 3.229 -7.736 1.00 5.37 H new ATOM 0 HA THR A 22 6.219 4.702 -5.226 1.00 6.01 H new ATOM 0 HB THR A 22 4.327 5.963 -6.374 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.163 5.473 -8.628 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.960 7.025 -8.013 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.783 6.667 -6.476 1.00 9.65 H new ATOM 0 HG23 THR A 22 7.018 5.600 -7.880 1.00 9.65 H new ATOM 353 N ILE A 23 3.758 4.282 -4.420 1.00 8.32 N ATOM 354 CA ILE A 23 2.588 3.786 -3.678 1.00 9.92 C ATOM 355 C ILE A 23 1.366 3.664 -4.593 1.00 10.01 C ATOM 356 O ILE A 23 0.504 2.803 -4.378 1.00 8.71 O ATOM 357 CB ILE A 23 2.419 4.702 -2.420 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.630 4.881 -1.504 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.313 4.085 -1.594 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.389 3.622 -1.105 1.00 12.30 C ATOM 0 H ILE A 23 4.062 5.208 -4.120 1.00 8.32 H new ATOM 0 HA ILE A 23 2.722 2.766 -3.317 1.00 9.92 H new ATOM 0 HB ILE A 23 2.227 5.702 -2.810 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.330 5.556 -1.996 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.295 5.377 -0.593 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.150 4.685 -0.698 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.395 4.053 -2.181 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.596 3.072 -1.306 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.223 3.890 -0.456 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.719 2.946 -0.574 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.770 3.128 -1.999 1.00 12.30 H new ATOM 372 N GLU A 24 1.127 4.479 -5.629 1.00 9.54 N ATOM 373 CA GLU A 24 0.013 4.467 -6.587 1.00 11.81 C ATOM 374 C GLU A 24 0.120 3.210 -7.423 1.00 11.14 C ATOM 375 O GLU A 24 -0.853 2.515 -7.680 1.00 10.62 O ATOM 376 CB GLU A 24 0.099 5.751 -7.470 1.00 19.24 C ATOM 377 CG GLU A 24 -1.192 5.998 -8.272 1.00 27.76 C ATOM 378 CD GLU A 24 -1.193 7.351 -8.918 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.231 8.362 -8.175 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.216 7.425 -10.181 1.00 36.51 O ATOM 0 H GLU A 24 1.774 5.239 -5.838 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.951 4.467 -6.079 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.299 6.613 -6.834 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.939 5.660 -8.158 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.298 5.229 -9.037 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.054 5.910 -7.611 1.00 27.76 H new ATOM 387 N ASN A 25 1.394 2.843 -7.759 1.00 9.43 N ATOM 388 CA ASN A 25 1.769 1.551 -8.365 1.00 10.96 C ATOM 389 C ASN A 25 1.485 0.349 -7.535 1.00 9.68 C ATOM 390 O ASN A 25 0.948 -0.670 -8.042 1.00 9.33 O ATOM 391 CB ASN A 25 3.222 1.647 -8.791 1.00 16.78 C ATOM 392 CG ASN A 25 3.625 0.685 -9.892 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.841 0.443 -10.798 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.903 0.264 -9.889 1.00 24.70 N ATOM 0 H ASN A 25 2.195 3.457 -7.608 1.00 9.43 H new ATOM 0 HA ASN A 25 1.125 1.386 -9.229 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.422 2.665 -9.126 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.854 1.468 -7.921 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.261 -0.286 -10.670 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.514 0.495 -9.106 1.00 24.70 H new ATOM 401 N VAL A 26 1.751 0.390 -6.203 1.00 6.52 N ATOM 402 CA VAL A 26 1.237 -0.562 -5.238 1.00 5.53 C ATOM 403 C VAL A 26 -0.326 -0.657 -5.109 1.00 4.42 C ATOM 404 O VAL A 26 -0.895 -1.737 -4.977 1.00 3.40 O ATOM 405 CB VAL A 26 1.803 -0.336 -3.940 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.308 -1.449 -2.956 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.326 -0.482 -3.978 1.00 8.12 C ATOM 0 H VAL A 26 2.342 1.107 -5.783 1.00 6.52 H new ATOM 0 HA VAL A 26 1.550 -1.522 -5.648 1.00 5.53 H new ATOM 0 HB VAL A 26 1.508 0.665 -3.627 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.737 -1.279 -1.969 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.220 -1.418 -2.889 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.621 -2.426 -3.324 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.733 -0.306 -2.982 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.587 -1.489 -4.304 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.744 0.245 -4.675 1.00 8.12 H new ATOM 417 N LYS A 27 -1.036 0.557 -5.158 1.00 2.64 N ATOM 418 CA LYS A 27 -2.538 0.524 -5.091 1.00 4.14 C ATOM 419 C LYS A 27 -3.150 -0.200 -6.277 1.00 5.58 C ATOM 420 O LYS A 27 -4.098 -0.939 -6.123 1.00 4.11 O ATOM 421 CB LYS A 27 -3.137 1.898 -5.025 1.00 3.97 C ATOM 422 CG LYS A 27 -2.778 2.664 -3.741 1.00 7.45 C ATOM 423 CD LYS A 27 -3.357 4.082 -3.741 1.00 9.02 C ATOM 424 CE LYS A 27 -3.276 4.826 -2.358 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.738 6.207 -2.398 1.00 15.47 N ATOM 0 H LYS A 27 -0.617 1.483 -5.237 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.769 -0.017 -4.173 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.801 2.474 -5.888 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.221 1.817 -5.099 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.154 2.118 -2.876 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.694 2.715 -3.640 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.830 4.675 -4.488 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.401 4.033 -4.051 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.869 4.277 -1.627 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.244 4.809 -2.008 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.798 6.581 -1.429 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.069 6.781 -2.950 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.677 6.246 -2.843 1.00 15.47 H new ATOM 439 N ALA A 28 -2.580 0.002 -7.453 1.00 6.61 N ATOM 440 CA ALA A 28 -2.921 -0.864 -8.589 1.00 7.74 C ATOM 441 C ALA A 28 -2.642 -2.319 -8.379 1.00 9.17 C ATOM 442 O ALA A 28 -3.376 -3.233 -8.835 1.00 11.45 O ATOM 443 CB ALA A 28 -2.140 -0.427 -9.824 1.00 7.68 C ATOM 0 H ALA A 28 -1.898 0.733 -7.652 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.999 -0.753 -8.710 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.396 -1.073 -10.664 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.393 0.605 -10.069 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.071 -0.500 -9.623 1.00 7.68 H new ATOM 449 N LYS A 29 -1.562 -2.680 -7.621 1.00 8.96 N ATOM 450 CA LYS A 29 -1.287 -4.080 -7.256 1.00 7.90 C ATOM 451 C LYS A 29 -2.418 -4.609 -6.406 1.00 6.92 C ATOM 452 O LYS A 29 -2.885 -5.651 -6.755 1.00 6.87 O ATOM 453 CB LYS A 29 0.110 -4.326 -6.561 1.00 10.28 C ATOM 454 CG LYS A 29 1.227 -4.059 -7.563 1.00 14.94 C ATOM 455 CD LYS A 29 2.663 -4.161 -6.986 1.00 19.69 C ATOM 456 CE LYS A 29 3.840 -3.836 -7.881 1.00 22.63 C ATOM 457 NZ LYS A 29 4.179 -5.029 -8.646 1.00 24.98 N ATOM 0 H LYS A 29 -0.879 -2.014 -7.259 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.224 -4.632 -8.194 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.218 -3.672 -5.696 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.171 -5.351 -6.196 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.132 -4.766 -8.387 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.089 -3.062 -7.981 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.717 -3.502 -6.120 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.799 -5.179 -6.621 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.591 -3.014 -8.552 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.693 -3.513 -7.284 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.718 -4.757 -9.493 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.755 -5.666 -8.059 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.307 -5.517 -8.933 1.00 24.98 H new ATOM 471 N ILE A 30 -2.870 -3.971 -5.336 1.00 4.57 N ATOM 472 CA ILE A 30 -3.916 -4.324 -4.423 1.00 5.58 C ATOM 473 C ILE A 30 -5.237 -4.454 -5.178 1.00 7.26 C ATOM 474 O ILE A 30 -6.024 -5.365 -4.968 1.00 9.46 O ATOM 475 CB ILE A 30 -3.793 -3.347 -3.270 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.517 -3.599 -2.445 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.054 -3.446 -2.369 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.269 -2.661 -1.267 1.00 2.00 C ATOM 0 H ILE A 30 -2.449 -3.082 -5.066 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.850 -5.312 -3.968 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.718 -2.340 -3.681 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.553 -4.620 -2.066 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.660 -3.538 -3.116 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.965 -2.744 -1.540 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.940 -3.205 -2.956 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.143 -4.459 -1.978 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.342 -2.941 -0.768 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.191 -1.636 -1.629 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.097 -2.735 -0.562 1.00 2.00 H new ATOM 490 N GLN A 31 -5.529 -3.534 -6.175 1.00 7.06 N ATOM 491 CA GLN A 31 -6.681 -3.786 -7.078 1.00 8.67 C ATOM 492 C GLN A 31 -6.591 -5.118 -7.850 1.00 10.90 C ATOM 493 O GLN A 31 -7.591 -5.822 -7.976 1.00 9.63 O ATOM 494 CB GLN A 31 -6.816 -2.688 -8.083 1.00 9.12 C ATOM 495 CG GLN A 31 -8.289 -2.621 -8.616 1.00 10.76 C ATOM 496 CD GLN A 31 -8.259 -1.538 -9.632 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.328 -0.765 -9.914 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.478 -1.237 -10.141 1.00 14.76 N ATOM 0 H GLN A 31 -5.011 -2.674 -6.352 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.548 -3.833 -6.419 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.541 -1.735 -7.631 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.129 -2.857 -8.912 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.598 -3.570 -9.054 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.993 -2.396 -7.815 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.277 -1.838 -9.940 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.597 -0.409 -10.725 1.00 14.76 H new ATOM 507 N ASP A 32 -5.375 -5.577 -8.297 1.00 10.93 N ATOM 508 CA ASP A 32 -5.141 -6.892 -8.888 1.00 14.01 C ATOM 509 C ASP A 32 -5.334 -8.028 -7.914 1.00 14.04 C ATOM 510 O ASP A 32 -5.950 -9.045 -8.216 1.00 13.39 O ATOM 511 CB ASP A 32 -3.754 -7.067 -9.560 1.00 18.01 C ATOM 512 CG ASP A 32 -3.801 -8.231 -10.612 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.370 -7.947 -11.714 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.294 -9.313 -10.437 1.00 25.17 O ATOM 0 H ASP A 32 -4.528 -5.011 -8.244 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.904 -6.936 -9.665 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.459 -6.138 -10.048 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.000 -7.282 -8.803 1.00 18.01 H new ATOM 519 N LYS A 33 -4.757 -7.863 -6.656 1.00 14.22 N ATOM 520 CA LYS A 33 -4.801 -8.879 -5.640 1.00 14.00 C ATOM 521 C LYS A 33 -6.237 -9.060 -5.158 1.00 12.37 C ATOM 522 O LYS A 33 -6.713 -10.170 -4.940 1.00 12.17 O ATOM 523 CB LYS A 33 -3.853 -8.475 -4.496 1.00 18.62 C ATOM 524 CG LYS A 33 -2.384 -8.732 -4.854 1.00 24.00 C ATOM 525 CD LYS A 33 -1.998 -10.235 -4.956 1.00 27.61 C ATOM 526 CE LYS A 33 -0.551 -10.557 -5.268 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.177 -11.969 -5.371 1.00 30.06 N ATOM 0 H LYS A 33 -4.267 -7.015 -6.371 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.468 -9.838 -6.037 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.991 -7.419 -4.266 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.111 -9.034 -3.596 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.165 -8.248 -5.806 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.752 -8.258 -4.103 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.255 -10.715 -4.012 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.620 -10.692 -5.726 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.295 -10.072 -6.210 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.069 -10.101 -4.496 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.837 -12.045 -5.587 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.375 -12.447 -4.469 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.727 -12.419 -6.130 1.00 30.06 H new ATOM 541 N GLU A 34 -6.932 -7.984 -4.928 1.00 10.11 N ATOM 542 CA GLU A 34 -8.100 -7.984 -4.034 1.00 10.07 C ATOM 543 C GLU A 34 -9.350 -7.267 -4.558 1.00 9.32 C ATOM 544 O GLU A 34 -10.298 -7.131 -3.856 1.00 11.61 O ATOM 545 CB GLU A 34 -7.704 -7.466 -2.632 1.00 14.77 C ATOM 546 CG GLU A 34 -7.085 -8.525 -1.635 1.00 18.75 C ATOM 547 CD GLU A 34 -8.011 -9.763 -1.343 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.113 -9.550 -0.864 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.552 -10.927 -1.521 1.00 25.19 O ATOM 0 H GLU A 34 -6.723 -7.076 -5.343 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.406 -9.029 -3.978 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.985 -6.656 -2.758 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.590 -7.036 -2.165 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.140 -8.882 -2.045 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.856 -8.028 -0.692 1.00 18.75 H new ATOM 556 N GLY A 35 -9.357 -6.727 -5.795 1.00 7.22 N ATOM 557 CA GLY A 35 -10.522 -6.063 -6.487 1.00 6.29 C ATOM 558 C GLY A 35 -10.762 -4.632 -6.037 1.00 6.93 C ATOM 559 O GLY A 35 -11.623 -3.927 -6.620 1.00 7.41 O ATOM 0 H GLY A 35 -8.521 -6.733 -6.379 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.348 -6.072 -7.563 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.423 -6.648 -6.305 1.00 6.29 H new ATOM 563 N ILE A 36 -10.045 -4.132 -5.038 1.00 5.86 N ATOM 564 CA ILE A 36 -10.234 -2.819 -4.453 1.00 6.07 C ATOM 565 C ILE A 36 -9.953 -1.666 -5.363 1.00 6.36 C ATOM 566 O ILE A 36 -8.809 -1.632 -5.861 1.00 6.18 O ATOM 567 CB ILE A 36 -9.473 -2.695 -3.162 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.743 -3.894 -2.207 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.883 -1.376 -2.420 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.395 -4.427 -1.605 1.00 9.49 C ATOM 0 H ILE A 36 -9.287 -4.654 -4.599 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.304 -2.751 -4.254 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.414 -2.682 -3.419 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.410 -3.584 -1.403 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.248 -4.693 -2.750 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.326 -1.296 -1.486 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.657 -0.517 -3.052 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.951 -1.397 -2.205 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.600 -5.265 -0.939 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.741 -4.756 -2.412 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -7.906 -3.630 -1.045 1.00 9.49 H new ATOM 582 N PRO A 37 -10.801 -0.690 -5.635 1.00 8.65 N ATOM 583 CA PRO A 37 -10.376 0.412 -6.508 1.00 9.18 C ATOM 584 C PRO A 37 -9.355 1.405 -5.773 1.00 9.85 C ATOM 585 O PRO A 37 -9.530 1.631 -4.543 1.00 8.51 O ATOM 586 CB PRO A 37 -11.697 1.163 -6.752 1.00 11.42 C ATOM 587 CG PRO A 37 -12.798 0.139 -6.515 1.00 9.27 C ATOM 588 CD PRO A 37 -12.203 -0.686 -5.392 1.00 8.33 C ATOM 0 HA PRO A 37 -9.865 0.055 -7.402 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.797 2.011 -6.074 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.741 1.559 -7.767 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.739 0.607 -6.226 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.999 -0.460 -7.403 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.433 -0.251 -4.419 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.606 -1.699 -5.391 1.00 8.33 H new ATOM 596 N PRO A 38 -8.258 1.950 -6.329 1.00 8.71 N ATOM 597 CA PRO A 38 -7.223 2.848 -5.792 1.00 9.08 C ATOM 598 C PRO A 38 -7.781 4.019 -4.934 1.00 9.28 C ATOM 599 O PRO A 38 -7.178 4.439 -3.913 1.00 6.50 O ATOM 600 CB PRO A 38 -6.335 3.209 -6.998 1.00 10.31 C ATOM 601 CG PRO A 38 -6.364 1.926 -7.845 1.00 10.81 C ATOM 602 CD PRO A 38 -7.824 1.429 -7.639 1.00 12.00 C ATOM 0 HA PRO A 38 -6.605 2.368 -5.033 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.729 4.064 -7.547 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.322 3.467 -6.690 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.146 2.126 -8.894 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.633 1.195 -7.501 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.474 1.791 -8.436 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.871 0.340 -7.659 1.00 12.00 H new ATOM 610 N ASP A 39 -8.967 4.524 -5.396 1.00 11.20 N ATOM 611 CA ASP A 39 -9.728 5.648 -4.806 1.00 14.96 C ATOM 612 C ASP A 39 -10.407 5.202 -3.456 1.00 13.99 C ATOM 613 O ASP A 39 -10.774 6.036 -2.621 1.00 13.75 O ATOM 614 CB ASP A 39 -10.922 5.877 -5.868 1.00 24.16 C ATOM 615 CG ASP A 39 -10.417 6.538 -7.154 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.784 7.623 -7.073 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.557 5.934 -8.288 1.00 35.55 O ATOM 0 H ASP A 39 -9.427 4.138 -6.220 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.096 6.515 -4.614 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.384 4.919 -6.108 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.695 6.500 -5.418 1.00 24.16 H new ATOM 622 N GLN A 40 -10.478 3.905 -3.185 1.00 11.60 N ATOM 623 CA GLN A 40 -11.026 3.320 -1.960 1.00 10.76 C ATOM 624 C GLN A 40 -9.882 2.677 -1.159 1.00 8.01 C ATOM 625 O GLN A 40 -10.160 2.040 -0.131 1.00 8.96 O ATOM 626 CB GLN A 40 -12.021 2.166 -2.277 1.00 11.14 C ATOM 627 CG GLN A 40 -13.290 2.541 -3.051 1.00 14.85 C ATOM 628 CD GLN A 40 -14.271 1.382 -3.316 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.227 0.345 -2.693 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.224 1.541 -4.221 1.00 18.16 N ATOM 0 H GLN A 40 -10.142 3.198 -3.839 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.529 4.118 -1.414 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.488 1.405 -2.847 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.321 1.707 -1.335 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.815 3.320 -2.498 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.997 2.972 -4.008 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.279 2.407 -4.757 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.903 0.797 -4.382 1.00 18.16 H new ATOM 639 N GLN A 41 -8.599 2.893 -1.492 1.00 6.52 N ATOM 640 CA GLN A 41 -7.462 2.536 -0.660 1.00 3.87 C ATOM 641 C GLN A 41 -6.795 3.712 -0.014 1.00 4.79 C ATOM 642 O GLN A 41 -6.450 4.700 -0.646 1.00 6.34 O ATOM 643 CB GLN A 41 -6.442 1.707 -1.439 1.00 4.20 C ATOM 644 CG GLN A 41 -6.994 0.466 -2.258 1.00 3.20 C ATOM 645 CD GLN A 41 -5.833 -0.098 -3.106 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.677 -0.041 -2.688 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.164 -0.478 -4.323 1.00 7.13 N ATOM 0 H GLN A 41 -8.328 3.332 -2.372 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.872 1.930 0.148 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.928 2.370 -2.135 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.694 1.342 -0.735 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.378 -0.297 -1.581 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.822 0.770 -2.899 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.145 -0.501 -4.601 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.439 -0.749 -4.987 1.00 7.13 H new ATOM 656 N ARG A 42 -6.446 3.472 1.262 1.00 5.73 N ATOM 657 CA ARG A 42 -5.721 4.305 2.152 1.00 6.97 C ATOM 658 C ARG A 42 -4.619 3.488 2.717 1.00 7.15 C ATOM 659 O ARG A 42 -4.829 2.463 3.307 1.00 7.33 O ATOM 660 CB ARG A 42 -6.637 4.829 3.247 1.00 13.23 C ATOM 661 CG ARG A 42 -6.101 5.972 4.096 1.00 21.27 C ATOM 662 CD ARG A 42 -7.072 6.511 5.173 1.00 26.14 C ATOM 663 NE ARG A 42 -8.108 7.201 4.390 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.430 7.253 4.673 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.938 6.736 5.793 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.256 7.914 3.884 1.00 36.39 N ATOM 0 H ARG A 42 -6.706 2.594 1.711 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.315 5.174 1.634 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.568 5.156 2.784 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.885 4.000 3.910 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.188 5.639 4.589 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.825 6.794 3.436 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.493 5.704 5.773 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.570 7.191 5.861 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.799 7.689 3.549 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.324 6.283 6.470 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.940 6.794 5.973 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.899 8.389 3.055 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.252 7.949 4.103 1.00 36.39 H new ATOM 680 N LEU A 43 -3.360 3.949 2.632 1.00 4.65 N ATOM 681 CA LEU A 43 -2.247 3.057 2.917 1.00 3.51 C ATOM 682 C LEU A 43 -1.383 3.726 4.002 1.00 5.56 C ATOM 683 O LEU A 43 -0.959 4.861 3.887 1.00 4.19 O ATOM 684 CB LEU A 43 -1.397 2.830 1.655 1.00 3.74 C ATOM 685 CG LEU A 43 -1.917 1.708 0.680 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.203 1.863 -0.686 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.800 0.270 1.204 1.00 6.41 C ATOM 0 H LEU A 43 -3.102 4.902 2.377 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.621 2.090 3.252 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.339 3.768 1.103 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.382 2.578 1.962 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.992 1.862 0.582 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.555 1.091 -1.370 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.424 2.846 -1.103 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.127 1.762 -0.547 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.186 -0.422 0.456 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.754 0.040 1.406 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.377 0.170 2.123 1.00 6.41 H new ATOM 699 N ILE A 44 -1.106 3.038 5.151 1.00 4.58 N ATOM 700 CA ILE A 44 -0.498 3.583 6.296 1.00 5.55 C ATOM 701 C ILE A 44 0.747 2.831 6.556 1.00 5.46 C ATOM 702 O ILE A 44 0.738 1.612 6.478 1.00 6.04 O ATOM 703 CB ILE A 44 -1.486 3.387 7.507 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.992 3.863 7.253 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.818 4.124 8.668 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.090 5.407 7.079 1.00 13.90 C ATOM 0 H ILE A 44 -1.330 2.049 5.258 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.273 4.641 6.161 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.630 2.325 7.705 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.383 3.372 6.362 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.617 3.551 8.089 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.440 4.040 9.559 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.159 3.683 8.865 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.696 5.176 8.409 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.129 5.689 6.909 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.724 5.899 7.980 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.486 5.716 6.226 1.00 13.90 H new ATOM 718 N PHE A 45 1.844 3.509 6.955 1.00 6.75 N ATOM 719 CA PHE A 45 2.941 2.792 7.443 1.00 4.70 C ATOM 720 C PHE A 45 3.614 3.783 8.348 1.00 6.34 C ATOM 721 O PHE A 45 3.736 4.964 8.046 1.00 5.45 O ATOM 722 CB PHE A 45 3.813 2.175 6.373 1.00 5.51 C ATOM 723 CG PHE A 45 5.115 1.596 6.871 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.291 2.400 6.913 1.00 5.87 C ATOM 725 CD2 PHE A 45 5.304 0.231 7.210 1.00 6.86 C ATOM 726 CE1 PHE A 45 7.480 1.907 7.278 1.00 6.64 C ATOM 727 CE2 PHE A 45 6.586 -0.197 7.747 1.00 6.68 C ATOM 728 CZ PHE A 45 7.652 0.678 7.744 1.00 6.84 C ATOM 0 H PHE A 45 1.952 4.523 6.934 1.00 6.75 H new ATOM 0 HA PHE A 45 2.656 1.887 7.980 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.249 1.387 5.874 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.033 2.934 5.622 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.220 3.443 6.641 1.00 5.87 H new ATOM 0 HD2 PHE A 45 4.505 -0.482 7.071 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.347 2.545 7.188 1.00 6.64 H new ATOM 0 HE2 PHE A 45 6.703 -1.194 8.146 1.00 6.68 H new ATOM 0 HZ PHE A 45 8.616 0.365 8.117 1.00 6.84 H new ATOM 738 N ALA A 46 4.186 3.340 9.496 1.00 6.53 N ATOM 739 CA ALA A 46 4.975 4.147 10.449 1.00 7.15 C ATOM 740 C ALA A 46 4.106 5.113 11.279 1.00 9.00 C ATOM 741 O ALA A 46 4.521 6.174 11.758 1.00 11.15 O ATOM 742 CB ALA A 46 6.275 4.755 9.842 1.00 8.99 C ATOM 0 H ALA A 46 4.104 2.367 9.792 1.00 6.53 H new ATOM 0 HA ALA A 46 5.367 3.447 11.187 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.797 5.333 10.605 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.922 3.952 9.489 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.017 5.406 9.007 1.00 8.99 H new ATOM 748 N GLY A 47 2.818 4.763 11.399 1.00 9.35 N ATOM 749 CA GLY A 47 1.827 5.610 11.958 1.00 11.68 C ATOM 750 C GLY A 47 1.262 6.755 11.114 1.00 11.14 C ATOM 751 O GLY A 47 0.485 7.568 11.613 1.00 13.93 O ATOM 0 H GLY A 47 2.457 3.859 11.095 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.990 4.981 12.260 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.242 6.046 12.867 1.00 11.68 H new ATOM 755 N LYS A 48 1.746 6.891 9.827 1.00 10.47 N ATOM 756 CA LYS A 48 1.365 8.010 9.018 1.00 8.82 C ATOM 757 C LYS A 48 0.890 7.496 7.645 1.00 7.68 C ATOM 758 O LYS A 48 1.179 6.394 7.162 1.00 6.47 O ATOM 759 CB LYS A 48 2.563 8.865 8.719 1.00 9.74 C ATOM 760 CG LYS A 48 3.743 8.166 8.042 1.00 14.14 C ATOM 761 CD LYS A 48 4.888 9.129 7.706 1.00 16.32 C ATOM 762 CE LYS A 48 5.955 9.344 8.795 1.00 20.04 C ATOM 763 NZ LYS A 48 6.932 10.451 8.450 1.00 23.92 N ATOM 0 H LYS A 48 2.383 6.233 9.377 1.00 10.47 H new ATOM 0 HA LYS A 48 0.595 8.566 9.553 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.244 9.691 8.083 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.914 9.301 9.654 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.117 7.378 8.696 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.398 7.685 7.127 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.387 8.764 6.809 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.455 10.098 7.458 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.462 9.581 9.738 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.505 8.415 8.947 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.627 10.552 9.217 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.425 10.216 7.565 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.415 11.346 8.331 1.00 23.92 H new ATOM 777 N GLN A 49 0.031 8.257 6.970 1.00 8.89 N ATOM 778 CA GLN A 49 -0.548 7.911 5.705 1.00 7.18 C ATOM 779 C GLN A 49 0.532 8.047 4.610 1.00 8.23 C ATOM 780 O GLN A 49 1.139 9.131 4.572 1.00 9.70 O ATOM 781 CB GLN A 49 -1.889 8.659 5.348 1.00 11.67 C ATOM 782 CG GLN A 49 -2.547 8.254 4.002 1.00 15.82 C ATOM 783 CD GLN A 49 -3.948 8.846 3.823 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.741 8.813 4.727 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.291 9.368 2.613 1.00 20.67 N ATOM 0 H GLN A 49 -0.283 9.164 7.316 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.874 6.873 5.774 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.606 8.483 6.150 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.691 9.731 5.327 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.911 8.582 3.179 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.607 7.167 3.945 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.609 9.390 1.855 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.230 9.737 2.465 1.00 20.67 H new ATOM 794 N LEU A 50 0.694 7.092 3.735 1.00 6.51 N ATOM 795 CA LEU A 50 1.585 7.172 2.582 1.00 7.41 C ATOM 796 C LEU A 50 1.063 8.123 1.494 1.00 8.27 C ATOM 797 O LEU A 50 -0.131 8.426 1.464 1.00 8.34 O ATOM 798 CB LEU A 50 1.867 5.766 1.972 1.00 7.13 C ATOM 799 CG LEU A 50 2.310 4.748 2.998 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.795 3.431 2.345 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.420 5.174 3.978 1.00 9.11 C ATOM 0 H LEU A 50 0.198 6.203 3.796 1.00 6.51 H new ATOM 0 HA LEU A 50 2.521 7.584 2.959 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.965 5.405 1.477 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.636 5.858 1.205 1.00 7.13 H new ATOM 0 HG LEU A 50 1.392 4.625 3.573 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.103 2.731 3.122 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.984 2.993 1.763 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.640 3.640 1.689 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.641 4.351 4.658 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.319 5.434 3.419 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.087 6.039 4.551 1.00 9.11 H new ATOM 813 N GLU A 51 1.972 8.469 0.645 1.00 9.43 N ATOM 814 CA GLU A 51 1.748 9.410 -0.450 1.00 11.90 C ATOM 815 C GLU A 51 2.129 8.719 -1.760 1.00 11.49 C ATOM 816 O GLU A 51 3.046 7.898 -1.919 1.00 9.88 O ATOM 817 CB GLU A 51 2.555 10.687 -0.339 1.00 16.56 C ATOM 818 CG GLU A 51 1.902 11.650 0.716 1.00 26.06 C ATOM 819 CD GLU A 51 2.688 12.993 0.911 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.956 13.006 0.990 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.994 14.021 1.101 1.00 32.13 O ATOM 0 H GLU A 51 2.925 8.106 0.677 1.00 9.43 H new ATOM 0 HA GLU A 51 0.696 9.694 -0.412 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.579 10.455 -0.046 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.606 11.180 -1.310 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.882 11.877 0.406 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.836 11.135 1.674 1.00 26.06 H new ATOM 828 N ASP A 52 1.272 9.012 -2.821 1.00 12.71 N ATOM 829 CA ASP A 52 1.092 8.238 -3.993 1.00 16.56 C ATOM 830 C ASP A 52 2.353 8.134 -4.801 1.00 15.83 C ATOM 831 O ASP A 52 2.822 7.057 -5.141 1.00 17.21 O ATOM 832 CB ASP A 52 -0.154 8.631 -4.812 1.00 21.05 C ATOM 833 CG ASP A 52 -1.506 8.422 -4.088 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.672 7.618 -3.166 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.444 9.169 -4.495 1.00 28.37 O ATOM 0 H ASP A 52 0.689 9.849 -2.819 1.00 12.71 H new ATOM 0 HA ASP A 52 0.872 7.224 -3.658 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.069 9.680 -5.094 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.160 8.052 -5.736 1.00 21.05 H new ATOM 840 N GLY A 53 2.930 9.317 -5.058 1.00 15.00 N ATOM 841 CA GLY A 53 4.153 9.526 -5.845 1.00 11.77 C ATOM 842 C GLY A 53 5.453 9.380 -5.146 1.00 11.10 C ATOM 843 O GLY A 53 6.495 9.364 -5.794 1.00 11.25 O ATOM 0 H GLY A 53 2.540 10.192 -4.708 1.00 15.00 H new ATOM 0 HA2 GLY A 53 4.140 8.825 -6.679 1.00 11.77 H new ATOM 0 HA3 GLY A 53 4.111 10.529 -6.271 1.00 11.77 H new ATOM 847 N ARG A 54 5.354 9.203 -3.810 1.00 8.53 N ATOM 848 CA ARG A 54 6.455 8.741 -2.981 1.00 9.05 C ATOM 849 C ARG A 54 6.638 7.251 -3.188 1.00 8.96 C ATOM 850 O ARG A 54 5.781 6.541 -3.698 1.00 11.60 O ATOM 851 CB ARG A 54 6.409 9.148 -1.538 1.00 7.97 C ATOM 852 CG ARG A 54 6.330 10.659 -1.184 1.00 9.62 C ATOM 853 CD ARG A 54 7.706 11.245 -1.310 1.00 12.20 C ATOM 854 NE ARG A 54 7.587 12.652 -0.798 1.00 18.23 N ATOM 855 CZ ARG A 54 8.539 13.485 -1.114 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.420 13.338 -2.125 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.508 14.659 -0.515 1.00 23.38 N ATOM 0 H ARG A 54 4.497 9.382 -3.287 1.00 8.53 H new ATOM 0 HA ARG A 54 7.347 9.267 -3.322 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.547 8.658 -1.085 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.297 8.742 -1.053 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.637 11.170 -1.853 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.952 10.792 -0.170 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.431 10.675 -0.729 1.00 12.20 H new ATOM 0 HD3 ARG A 54 8.046 11.231 -2.345 1.00 12.20 H new ATOM 0 HE ARG A 54 6.794 12.944 -0.227 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.375 12.514 -2.725 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.131 14.051 -2.290 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.767 14.871 0.153 1.00 23.38 H new ATOM 0 HH22 ARG A 54 9.225 15.355 -0.719 1.00 23.38 H new ATOM 871 N THR A 55 7.852 6.713 -2.941 1.00 9.05 N ATOM 872 CA THR A 55 8.266 5.358 -3.259 1.00 9.03 C ATOM 873 C THR A 55 8.496 4.666 -1.970 1.00 8.15 C ATOM 874 O THR A 55 8.954 5.307 -1.018 1.00 5.91 O ATOM 875 CB THR A 55 9.509 5.180 -4.137 1.00 11.15 C ATOM 876 OG1 THR A 55 10.525 6.065 -3.570 1.00 11.95 O ATOM 877 CG2 THR A 55 9.442 5.774 -5.563 1.00 11.71 C ATOM 0 H THR A 55 8.595 7.250 -2.493 1.00 9.05 H new ATOM 0 HA THR A 55 7.462 4.945 -3.868 1.00 9.03 H new ATOM 0 HB THR A 55 9.665 4.102 -4.175 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.319 5.542 -3.332 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.381 5.582 -6.082 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.623 5.310 -6.112 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.275 6.849 -5.502 1.00 11.71 H new ATOM 885 N LEU A 56 8.421 3.355 -1.994 1.00 6.91 N ATOM 886 CA LEU A 56 8.812 2.469 -0.864 1.00 8.29 C ATOM 887 C LEU A 56 10.161 2.751 -0.225 1.00 8.05 C ATOM 888 O LEU A 56 10.298 2.723 0.995 1.00 10.17 O ATOM 889 CB LEU A 56 8.771 0.965 -1.342 1.00 6.60 C ATOM 890 CG LEU A 56 7.313 0.535 -1.808 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.318 -0.732 -2.578 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.391 0.437 -0.662 1.00 8.64 C ATOM 0 H LEU A 56 8.082 2.840 -2.807 1.00 6.91 H new ATOM 0 HA LEU A 56 8.082 2.678 -0.082 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.472 0.826 -2.165 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.100 0.316 -0.530 1.00 6.60 H new ATOM 0 HG LEU A 56 6.957 1.321 -2.474 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.299 -0.982 -2.873 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.935 -0.614 -3.469 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.723 -1.532 -1.959 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.403 0.141 -1.014 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.763 -0.307 0.042 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.324 1.405 -0.165 1.00 8.64 H new ATOM 904 N SER A 57 11.210 3.039 -1.032 1.00 8.92 N ATOM 905 CA SER A 57 12.419 3.683 -0.546 1.00 9.00 C ATOM 906 C SER A 57 12.395 4.910 0.318 1.00 9.44 C ATOM 907 O SER A 57 13.304 5.095 1.160 1.00 10.91 O ATOM 908 CB SER A 57 13.450 3.857 -1.747 1.00 10.32 C ATOM 909 OG SER A 57 13.060 4.714 -2.812 1.00 13.59 O ATOM 0 H SER A 57 11.227 2.827 -2.029 1.00 8.92 H new ATOM 0 HA SER A 57 12.717 2.964 0.217 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.388 4.231 -1.337 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.655 2.871 -2.163 1.00 10.32 H new ATOM 0 HG SER A 57 13.771 4.742 -3.486 1.00 13.59 H new ATOM 915 N ASP A 58 11.458 5.887 0.058 1.00 9.11 N ATOM 916 CA ASP A 58 11.329 7.131 0.782 1.00 7.91 C ATOM 917 C ASP A 58 10.917 6.927 2.234 1.00 9.12 C ATOM 918 O ASP A 58 11.204 7.757 3.089 1.00 8.61 O ATOM 919 CB ASP A 58 10.353 8.070 0.028 1.00 8.41 C ATOM 920 CG ASP A 58 10.820 8.379 -1.366 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.010 8.392 -1.614 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.983 8.781 -2.230 1.00 11.70 O ATOM 0 H ASP A 58 10.770 5.793 -0.689 1.00 9.11 H new ATOM 0 HA ASP A 58 12.311 7.602 0.823 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.368 7.606 -0.016 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.243 9.000 0.586 1.00 8.41 H new ATOM 927 N TYR A 59 10.302 5.771 2.490 1.00 7.97 N ATOM 928 CA TYR A 59 9.701 5.344 3.727 1.00 8.45 C ATOM 929 C TYR A 59 10.619 4.319 4.328 1.00 10.98 C ATOM 930 O TYR A 59 10.314 3.697 5.348 1.00 12.95 O ATOM 931 CB TYR A 59 8.301 4.667 3.476 1.00 7.94 C ATOM 932 CG TYR A 59 7.378 5.725 2.869 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.014 6.818 3.652 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.790 5.542 1.589 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.134 7.811 3.085 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.882 6.508 1.041 1.00 6.52 C ATOM 937 CZ TYR A 59 5.581 7.675 1.784 1.00 6.76 C ATOM 938 OH TYR A 59 4.692 8.595 1.242 1.00 7.63 O ATOM 0 H TYR A 59 10.211 5.058 1.766 1.00 7.97 H new ATOM 0 HA TYR A 59 9.553 6.205 4.379 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.402 3.816 2.803 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.886 4.287 4.410 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.383 6.920 4.662 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.031 4.658 1.017 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.888 8.686 3.669 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.433 6.347 0.072 1.00 6.52 H new ATOM 0 HH TYR A 59 5.055 9.500 1.344 1.00 7.63 H new ATOM 948 N ASN A 60 11.800 4.061 3.748 1.00 12.38 N ATOM 949 CA ASN A 60 12.838 3.078 4.189 1.00 13.94 C ATOM 950 C ASN A 60 12.324 1.648 4.438 1.00 14.16 C ATOM 951 O ASN A 60 12.558 1.067 5.480 1.00 14.26 O ATOM 952 CB ASN A 60 13.702 3.658 5.317 1.00 19.23 C ATOM 953 CG ASN A 60 14.324 5.046 4.936 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.939 6.069 5.489 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.390 5.043 4.098 1.00 24.09 N ATOM 0 H ASN A 60 12.088 4.557 2.904 1.00 12.38 H new ATOM 0 HA ASN A 60 13.498 2.927 3.334 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.096 3.768 6.216 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.502 2.957 5.556 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.896 5.909 3.913 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.686 4.174 3.653 1.00 24.09 H new ATOM 962 N ILE A 61 11.679 1.147 3.355 1.00 11.08 N ATOM 963 CA ILE A 61 10.976 -0.087 3.419 1.00 11.78 C ATOM 964 C ILE A 61 11.866 -1.163 2.778 1.00 13.74 C ATOM 965 O ILE A 61 12.760 -0.804 2.051 1.00 14.60 O ATOM 966 CB ILE A 61 9.527 -0.155 2.813 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.544 0.668 3.687 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.860 -1.569 2.673 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.278 1.203 3.065 1.00 11.42 C ATOM 0 H ILE A 61 11.651 1.604 2.443 1.00 11.08 H new ATOM 0 HA ILE A 61 10.786 -0.243 4.481 1.00 11.78 H new ATOM 0 HB ILE A 61 9.687 0.229 1.805 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.256 0.044 4.533 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.096 1.517 4.091 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.865 -1.461 2.241 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.471 -2.197 2.024 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.780 -2.033 3.656 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.709 1.753 3.814 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.531 1.870 2.241 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.678 0.374 2.690 1.00 11.42 H new ATOM 981 N GLN A 62 11.671 -2.389 3.254 1.00 13.97 N ATOM 982 CA GLN A 62 12.663 -3.456 3.137 1.00 15.52 C ATOM 983 C GLN A 62 11.966 -4.800 2.886 1.00 13.94 C ATOM 984 O GLN A 62 10.771 -4.949 3.005 1.00 12.15 O ATOM 985 CB GLN A 62 13.517 -3.545 4.390 1.00 19.53 C ATOM 986 CG GLN A 62 14.703 -2.542 4.337 1.00 26.38 C ATOM 987 CD GLN A 62 15.835 -2.828 5.309 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.819 -3.477 4.959 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.623 -2.478 6.595 1.00 32.71 N ATOM 0 H GLN A 62 10.817 -2.673 3.734 1.00 13.97 H new ATOM 0 HA GLN A 62 13.313 -3.223 2.293 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.903 -3.339 5.267 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.900 -4.559 4.500 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.107 -2.535 3.325 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.320 -1.541 4.534 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.795 -1.939 6.847 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.291 -2.752 7.315 1.00 32.71 H new ATOM 998 N LYS A 63 12.724 -5.937 2.554 1.00 11.73 N ATOM 999 CA LYS A 63 12.174 -7.227 2.307 1.00 11.97 C ATOM 1000 C LYS A 63 11.446 -7.825 3.479 1.00 10.41 C ATOM 1001 O LYS A 63 11.908 -7.810 4.620 1.00 9.59 O ATOM 1002 CB LYS A 63 13.099 -8.326 1.712 1.00 13.73 C ATOM 1003 CG LYS A 63 14.355 -8.614 2.467 1.00 16.98 C ATOM 1004 CD LYS A 63 15.437 -9.354 1.617 1.00 20.19 C ATOM 1005 CE LYS A 63 16.819 -9.296 2.281 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.790 -10.134 1.601 1.00 25.97 N ATOM 0 H LYS A 63 13.740 -5.912 2.466 1.00 11.73 H new ATOM 0 HA LYS A 63 11.481 -6.950 1.512 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.526 -9.250 1.635 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.369 -8.033 0.697 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.772 -7.676 2.835 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.114 -9.220 3.341 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.143 -10.395 1.480 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.491 -8.905 0.625 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.173 -8.265 2.289 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.734 -9.612 3.321 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.708 -10.063 2.084 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.466 -11.122 1.615 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.892 -9.818 0.616 1.00 25.97 H new ATOM 1020 N GLU A 64 10.253 -8.395 3.221 1.00 10.04 N ATOM 1021 CA GLU A 64 9.415 -9.072 4.192 1.00 10.94 C ATOM 1022 C GLU A 64 8.697 -8.081 5.110 1.00 9.74 C ATOM 1023 O GLU A 64 8.046 -8.470 6.101 1.00 9.42 O ATOM 1024 CB GLU A 64 10.024 -10.318 4.887 1.00 18.31 C ATOM 1025 CG GLU A 64 10.498 -11.262 3.797 1.00 24.16 C ATOM 1026 CD GLU A 64 10.727 -12.642 4.362 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.716 -12.843 5.168 1.00 32.61 O ATOM 1028 OE2 GLU A 64 9.867 -13.579 4.131 1.00 31.72 O ATOM 0 H GLU A 64 9.843 -8.388 2.287 1.00 10.04 H new ATOM 0 HA GLU A 64 8.636 -9.556 3.603 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.854 -10.030 5.532 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.282 -10.805 5.520 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.758 -11.307 2.998 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.420 -10.885 3.356 1.00 24.16 H new ATOM 1035 N SER A 65 8.764 -6.771 4.813 1.00 6.85 N ATOM 1036 CA SER A 65 8.076 -5.734 5.585 1.00 6.90 C ATOM 1037 C SER A 65 6.632 -5.879 5.506 1.00 4.72 C ATOM 1038 O SER A 65 6.073 -6.122 4.466 1.00 3.91 O ATOM 1039 CB SER A 65 8.320 -4.240 5.198 1.00 7.28 C ATOM 1040 OG SER A 65 8.020 -3.304 6.274 1.00 10.56 O ATOM 0 H SER A 65 9.301 -6.406 4.026 1.00 6.85 H new ATOM 0 HA SER A 65 8.512 -5.910 6.568 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.361 -4.116 4.899 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.707 -3.993 4.331 1.00 7.28 H new ATOM 0 HG SER A 65 7.052 -3.275 6.422 1.00 10.56 H new ATOM 1046 N THR A 66 5.965 -5.652 6.614 1.00 4.48 N ATOM 1047 CA THR A 66 4.533 -5.582 6.733 1.00 3.80 C ATOM 1048 C THR A 66 4.168 -4.143 6.424 1.00 4.60 C ATOM 1049 O THR A 66 4.864 -3.152 6.827 1.00 5.33 O ATOM 1050 CB THR A 66 4.046 -5.963 8.152 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.253 -7.329 8.423 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.549 -5.758 8.362 1.00 3.40 C ATOM 0 H THR A 66 6.438 -5.503 7.506 1.00 4.48 H new ATOM 0 HA THR A 66 4.058 -6.288 6.052 1.00 3.80 H new ATOM 0 HB THR A 66 4.624 -5.308 8.804 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.936 -7.535 9.327 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.281 -6.046 9.379 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.300 -4.709 8.205 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.995 -6.373 7.653 1.00 3.40 H new ATOM 1060 N LEU A 67 3.080 -3.896 5.742 1.00 4.17 N ATOM 1061 CA LEU A 67 2.565 -2.633 5.288 1.00 3.85 C ATOM 1062 C LEU A 67 1.120 -2.733 5.754 1.00 3.80 C ATOM 1063 O LEU A 67 0.576 -3.837 5.908 1.00 5.54 O ATOM 1064 CB LEU A 67 2.684 -2.528 3.756 1.00 7.18 C ATOM 1065 CG LEU A 67 3.869 -1.678 3.247 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.253 -2.275 3.547 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.647 -1.279 1.771 1.00 11.66 C ATOM 0 H LEU A 67 2.467 -4.661 5.461 1.00 4.17 H new ATOM 0 HA LEU A 67 3.083 -1.750 5.663 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.775 -3.533 3.345 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.759 -2.106 3.363 1.00 7.18 H new ATOM 0 HG LEU A 67 3.883 -0.757 3.830 1.00 9.67 H new ATOM 0 HD11 LEU A 67 6.027 -1.615 3.155 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.378 -2.381 4.625 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.338 -3.253 3.074 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.490 -0.680 1.425 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.565 -2.178 1.160 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.729 -0.697 1.685 1.00 11.66 H new ATOM 1079 N HIS A 68 0.469 -1.582 5.834 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.901 -1.575 6.386 1.00 4.17 C ATOM 1081 C HIS A 68 -1.805 -0.876 5.388 1.00 5.32 C ATOM 1082 O HIS A 68 -1.357 -0.011 4.666 1.00 7.70 O ATOM 1083 CB HIS A 68 -0.896 -0.875 7.806 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.019 -1.578 8.766 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.279 -2.834 9.273 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.257 -1.269 9.191 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.837 -3.182 10.017 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.784 -2.263 9.932 1.00 16.30 N ATOM 0 H HIS A 68 0.834 -0.675 5.543 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.278 -2.586 6.538 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.564 0.158 7.700 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.912 -0.844 8.199 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.769 -0.347 8.959 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.923 -4.091 10.594 1.00 14.75 H new ATOM 0 HE2 HIS A 68 2.717 -2.299 10.341 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.029 -1.425 5.216 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.048 -1.017 4.243 1.00 3.97 C ATOM 1098 C LEU A 69 -5.342 -0.837 5.029 1.00 5.07 C ATOM 1099 O LEU A 69 -5.776 -1.786 5.693 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.210 -2.143 3.112 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.419 -1.992 2.128 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.265 -0.844 1.084 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.622 -3.298 1.438 1.00 9.96 C ATOM 0 H LEU A 69 -3.342 -2.209 5.789 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.774 -0.092 3.735 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.294 -2.165 2.522 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.294 -3.111 3.607 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.288 -1.713 2.724 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.147 -0.813 0.445 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.159 0.108 1.603 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.381 -1.024 0.473 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.460 -3.218 0.746 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.720 -3.562 0.886 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.834 -4.071 2.177 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.945 0.352 4.886 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.246 0.595 5.448 1.00 6.26 C ATOM 1117 C VAL A 70 -8.134 1.151 4.347 1.00 9.22 C ATOM 1118 O VAL A 70 -7.752 1.770 3.350 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.315 1.465 6.669 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.747 0.670 7.845 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.628 2.823 6.397 1.00 8.54 C ATOM 0 H VAL A 70 -5.541 1.144 4.386 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.587 -0.370 5.823 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.340 1.728 6.931 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.785 1.279 8.748 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.338 -0.234 7.992 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.713 0.397 7.634 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.685 3.445 7.290 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.583 2.656 6.137 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.131 3.327 5.572 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.453 0.942 4.527 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.452 1.198 3.487 1.00 16.06 C ATOM 1133 C LEU A 71 -11.102 2.542 3.602 1.00 18.09 C ATOM 1134 O LEU A 71 -11.591 3.027 4.647 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.586 0.126 3.189 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.035 -1.316 3.009 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.093 -2.369 2.649 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.904 -1.415 2.021 1.00 19.57 C ATOM 0 H LEU A 71 -9.849 0.591 5.399 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.784 1.129 2.628 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.307 0.133 4.006 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.124 0.417 2.287 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.659 -1.543 4.007 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.616 -3.343 2.544 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.843 -2.416 3.438 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.572 -2.096 1.709 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.573 -2.451 1.950 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.244 -1.075 1.043 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.074 -0.791 2.354 1.00 19.57 H new