USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 573 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 62 GLN : amide:sc= 0.822 K(o=-0.017,f=-3.5!) USER MOD Set 1.2: A 65 SER OG : rot -78:sc= -0.839 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.13 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.684 K(o=-0.55,f=0.0032) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.668 (180deg=-1.24) USER MOD Single : A 2 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 122:sc= -1.4 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -124:sc= 0.406 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -136:sc= 0.0433 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0974) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.272 K(o=-0.27,f=-4.1!) USER MOD Single : A 41 GLN : amide:sc= -7.36! C(o=-7.4!,f=-11!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0986 K(o=-0.099,f=-0.66) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= -0.865 USER MOD Single : A 60 ASN : amide:sc=-0.00645 X(o=-0.0065,f=0.0077) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -12.857 -5.580 4.845 1.00 0.00 N ATOM 2 CA MET A 1 -12.735 -4.956 6.150 1.00 0.00 C ATOM 3 C MET A 1 -11.909 -3.671 6.069 1.00 0.00 C ATOM 4 O MET A 1 -11.493 -3.263 4.986 1.00 0.00 O ATOM 5 CB MET A 1 -12.068 -5.932 7.122 1.00 0.00 C ATOM 6 CG MET A 1 -10.680 -6.339 6.624 1.00 0.00 C ATOM 7 SD MET A 1 -10.075 -7.728 7.569 1.00 0.00 S ATOM 8 CE MET A 1 -10.692 -9.073 6.571 1.00 0.00 C ATOM 0 H1 MET A 1 -13.318 -6.507 4.945 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.429 -4.974 4.223 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.911 -5.707 4.431 1.00 0.00 H new ATOM 0 HA MET A 1 -13.734 -4.701 6.505 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.984 -5.471 8.106 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.691 -6.819 7.238 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.726 -6.600 5.567 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.991 -5.499 6.715 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.402 -10.023 7.021 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.779 -9.015 6.515 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.272 -9.004 5.567 1.00 0.00 H new ATOM 18 N GLN A 2 -11.693 -3.070 7.230 1.00 0.00 N ATOM 19 CA GLN A 2 -10.923 -1.840 7.304 1.00 0.00 C ATOM 20 C GLN A 2 -9.458 -2.148 7.620 1.00 0.00 C ATOM 21 O GLN A 2 -9.160 -3.123 8.309 1.00 0.00 O ATOM 22 CB GLN A 2 -11.518 -0.882 8.338 1.00 0.00 C ATOM 23 CG GLN A 2 -10.670 0.386 8.464 1.00 0.00 C ATOM 24 CD GLN A 2 -11.465 1.516 9.119 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.806 2.510 8.499 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.742 1.310 10.403 1.00 0.00 N ATOM 0 H GLN A 2 -12.038 -3.412 8.127 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.968 -1.347 6.333 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.535 -0.616 8.050 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.581 -1.379 9.306 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.779 0.174 9.055 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.331 0.700 7.477 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.427 0.455 10.862 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.270 2.006 10.929 1.00 0.00 H new ATOM 35 N ILE A 3 -8.583 -1.300 7.102 1.00 0.00 N ATOM 36 CA ILE A 3 -7.157 -1.469 7.322 1.00 0.00 C ATOM 37 C ILE A 3 -6.518 -0.103 7.580 1.00 0.00 C ATOM 38 O ILE A 3 -7.123 0.932 7.302 1.00 0.00 O ATOM 39 CB ILE A 3 -6.523 -2.233 6.157 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.621 -1.432 4.857 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.137 -3.628 6.018 1.00 0.00 C ATOM 42 CD1 ILE A 3 -8.007 -1.577 4.226 1.00 0.00 C ATOM 0 H ILE A 3 -8.834 -0.493 6.530 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.978 -2.077 8.209 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.463 -2.367 6.373 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.417 -0.380 5.058 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.861 -1.776 4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.669 -4.150 5.183 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.972 -4.191 6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.208 -3.538 5.835 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.049 -0.998 3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.198 -2.627 4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.763 -1.210 4.920 1.00 0.00 H new ATOM 54 N PHE A 4 -5.304 -0.143 8.110 1.00 0.00 N ATOM 55 CA PHE A 4 -4.578 1.079 8.408 1.00 0.00 C ATOM 56 C PHE A 4 -3.275 1.151 7.611 1.00 0.00 C ATOM 57 O PHE A 4 -2.308 0.460 7.930 1.00 0.00 O ATOM 58 CB PHE A 4 -4.247 1.048 9.902 1.00 0.00 C ATOM 59 CG PHE A 4 -5.397 1.499 10.804 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.611 0.892 10.713 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.206 2.507 11.697 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.679 1.310 11.550 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.274 2.925 12.534 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.488 2.318 12.444 1.00 0.00 C ATOM 0 H PHE A 4 -4.806 -1.003 8.340 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.183 1.946 8.142 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.958 0.034 10.179 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.383 1.687 10.085 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.763 0.092 10.004 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.242 2.989 11.769 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.643 0.828 11.477 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.122 3.726 13.243 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.300 2.636 13.082 1.00 0.00 H new ATOM 74 N VAL A 5 -3.290 1.994 6.589 1.00 0.00 N ATOM 75 CA VAL A 5 -2.121 2.165 5.743 1.00 0.00 C ATOM 76 C VAL A 5 -1.304 3.358 6.244 1.00 0.00 C ATOM 77 O VAL A 5 -1.852 4.284 6.839 1.00 0.00 O ATOM 78 CB VAL A 5 -2.549 2.306 4.280 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.117 3.700 4.008 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.387 1.992 3.336 1.00 0.00 C ATOM 0 H VAL A 5 -4.093 2.566 6.328 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.479 1.286 5.797 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.339 1.580 4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.414 3.774 2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.986 3.869 4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.357 4.451 4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.718 2.100 2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.566 2.683 3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.048 0.970 3.504 1.00 0.00 H new ATOM 90 N LYS A 6 -0.006 3.296 5.986 1.00 0.00 N ATOM 91 CA LYS A 6 0.891 4.359 6.404 1.00 0.00 C ATOM 92 C LYS A 6 1.365 5.134 5.172 1.00 0.00 C ATOM 93 O LYS A 6 1.491 4.567 4.088 1.00 0.00 O ATOM 94 CB LYS A 6 2.034 3.794 7.251 1.00 0.00 C ATOM 95 CG LYS A 6 1.881 4.201 8.718 1.00 0.00 C ATOM 96 CD LYS A 6 1.206 3.091 9.527 1.00 0.00 C ATOM 97 CE LYS A 6 1.575 3.191 11.008 1.00 0.00 C ATOM 98 NZ LYS A 6 1.897 1.854 11.554 1.00 0.00 N ATOM 0 H LYS A 6 0.446 2.526 5.493 1.00 0.00 H new ATOM 0 HA LYS A 6 0.368 5.068 7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.048 2.707 7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.988 4.154 6.867 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.861 4.421 9.142 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.292 5.115 8.786 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.124 3.159 9.413 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.507 2.118 9.138 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.430 3.856 11.132 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.747 3.628 11.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.145 1.941 12.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.071 1.230 11.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.701 1.451 11.033 1.00 0.00 H new ATOM 112 N THR A 7 1.613 6.419 5.381 1.00 0.00 N ATOM 113 CA THR A 7 2.069 7.277 4.301 1.00 0.00 C ATOM 114 C THR A 7 3.584 7.472 4.379 1.00 0.00 C ATOM 115 O THR A 7 4.201 7.177 5.402 1.00 0.00 O ATOM 116 CB THR A 7 1.284 8.588 4.376 1.00 0.00 C ATOM 117 OG1 THR A 7 1.589 9.103 5.669 1.00 0.00 O ATOM 118 CG2 THR A 7 -0.230 8.363 4.412 1.00 0.00 C ATOM 0 H THR A 7 1.507 6.886 6.282 1.00 0.00 H new ATOM 0 HA THR A 7 1.880 6.823 3.328 1.00 0.00 H new ATOM 0 HB THR A 7 1.538 9.212 3.519 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.989 9.993 5.581 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.740 9.325 4.465 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.541 7.837 3.510 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.489 7.767 5.287 1.00 0.00 H new ATOM 126 N LEU A 8 4.142 7.968 3.284 1.00 0.00 N ATOM 127 CA LEU A 8 5.574 8.205 3.215 1.00 0.00 C ATOM 128 C LEU A 8 5.953 9.304 4.209 1.00 0.00 C ATOM 129 O LEU A 8 7.135 9.557 4.439 1.00 0.00 O ATOM 130 CB LEU A 8 5.999 8.504 1.775 1.00 0.00 C ATOM 131 CG LEU A 8 6.683 7.360 1.026 1.00 0.00 C ATOM 132 CD1 LEU A 8 6.584 7.559 -0.488 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.131 7.189 1.488 1.00 0.00 C ATOM 0 H LEU A 8 3.628 8.212 2.437 1.00 0.00 H new ATOM 0 HA LEU A 8 6.123 7.309 3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.115 8.804 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.675 9.359 1.787 1.00 0.00 H new ATOM 0 HG LEU A 8 6.158 6.435 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.078 6.731 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.535 7.592 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.068 8.496 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.594 6.369 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.684 8.109 1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.149 6.967 2.555 1.00 0.00 H new ATOM 145 N THR A 9 4.928 9.927 4.773 1.00 0.00 N ATOM 146 CA THR A 9 5.139 10.992 5.737 1.00 0.00 C ATOM 147 C THR A 9 4.986 10.460 7.163 1.00 0.00 C ATOM 148 O THR A 9 5.023 11.227 8.124 1.00 0.00 O ATOM 149 CB THR A 9 4.169 12.129 5.406 1.00 0.00 C ATOM 150 OG1 THR A 9 4.557 12.546 4.099 1.00 0.00 O ATOM 151 CG2 THR A 9 4.399 13.367 6.276 1.00 0.00 C ATOM 0 H THR A 9 3.949 9.714 4.580 1.00 0.00 H new ATOM 0 HA THR A 9 6.155 11.383 5.677 1.00 0.00 H new ATOM 0 HB THR A 9 3.144 11.781 5.534 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.978 13.280 3.805 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.685 14.143 6.000 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.263 13.105 7.325 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.413 13.736 6.123 1.00 0.00 H new ATOM 159 N GLY A 10 4.820 9.149 7.256 1.00 0.00 N ATOM 160 CA GLY A 10 4.661 8.504 8.548 1.00 0.00 C ATOM 161 C GLY A 10 3.238 8.686 9.082 1.00 0.00 C ATOM 162 O GLY A 10 2.917 8.219 10.173 1.00 0.00 O ATOM 0 H GLY A 10 4.792 8.516 6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.886 7.441 8.458 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.375 8.922 9.257 1.00 0.00 H new ATOM 166 N LYS A 11 2.426 9.367 8.287 1.00 0.00 N ATOM 167 CA LYS A 11 1.045 9.618 8.665 1.00 0.00 C ATOM 168 C LYS A 11 0.240 8.324 8.525 1.00 0.00 C ATOM 169 O LYS A 11 0.546 7.487 7.678 1.00 0.00 O ATOM 170 CB LYS A 11 0.474 10.788 7.863 1.00 0.00 C ATOM 171 CG LYS A 11 -0.877 11.232 8.427 1.00 0.00 C ATOM 172 CD LYS A 11 -0.935 12.753 8.577 1.00 0.00 C ATOM 173 CE LYS A 11 -2.383 13.241 8.657 1.00 0.00 C ATOM 174 NZ LYS A 11 -2.509 14.332 9.649 1.00 0.00 N ATOM 0 H LYS A 11 2.698 9.753 7.383 1.00 0.00 H new ATOM 0 HA LYS A 11 0.985 9.920 9.711 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.173 11.624 7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.358 10.496 6.819 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.678 10.897 7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.043 10.761 9.396 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.396 13.054 9.475 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.435 13.225 7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.709 13.592 7.678 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.037 12.414 8.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.498 14.651 9.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.218 13.985 10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.900 15.127 9.370 1.00 0.00 H new ATOM 188 N THR A 12 -0.773 8.201 9.370 1.00 0.00 N ATOM 189 CA THR A 12 -1.625 7.024 9.351 1.00 0.00 C ATOM 190 C THR A 12 -2.956 7.340 8.666 1.00 0.00 C ATOM 191 O THR A 12 -3.655 8.272 9.060 1.00 0.00 O ATOM 192 CB THR A 12 -1.783 6.532 10.791 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.471 6.121 11.165 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.615 5.252 10.885 1.00 0.00 C ATOM 0 H THR A 12 -1.023 8.897 10.072 1.00 0.00 H new ATOM 0 HA THR A 12 -1.178 6.221 8.765 1.00 0.00 H new ATOM 0 HB THR A 12 -2.250 7.313 11.391 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.483 5.789 12.087 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.696 4.946 11.928 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.611 5.435 10.482 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.132 4.461 10.312 1.00 0.00 H new ATOM 202 N ILE A 13 -3.267 6.545 7.653 1.00 0.00 N ATOM 203 CA ILE A 13 -4.502 6.728 6.910 1.00 0.00 C ATOM 204 C ILE A 13 -5.289 5.416 6.907 1.00 0.00 C ATOM 205 O ILE A 13 -4.793 4.391 6.442 1.00 0.00 O ATOM 206 CB ILE A 13 -4.209 7.273 5.511 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.872 8.764 5.563 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.368 6.980 4.555 1.00 0.00 C ATOM 209 CD1 ILE A 13 -5.143 9.615 5.522 1.00 0.00 C ATOM 0 H ILE A 13 -2.685 5.772 7.329 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.131 7.476 7.393 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.331 6.758 5.121 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.313 8.983 6.473 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.228 9.025 4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.134 7.378 3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.519 5.903 4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.277 7.451 4.930 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.875 10.671 5.560 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.687 9.412 4.600 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.773 9.369 6.377 1.00 0.00 H new ATOM 221 N THR A 14 -6.504 5.491 7.431 1.00 0.00 N ATOM 222 CA THR A 14 -7.364 4.321 7.494 1.00 0.00 C ATOM 223 C THR A 14 -8.316 4.294 6.296 1.00 0.00 C ATOM 224 O THR A 14 -8.797 5.337 5.859 1.00 0.00 O ATOM 225 CB THR A 14 -8.086 4.338 8.843 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.066 4.679 9.778 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.543 2.945 9.281 1.00 0.00 C ATOM 0 H THR A 14 -6.913 6.343 7.815 1.00 0.00 H new ATOM 0 HA THR A 14 -6.785 3.400 7.430 1.00 0.00 H new ATOM 0 HB THR A 14 -8.949 5.001 8.784 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.016 3.990 10.474 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.049 3.014 10.244 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.229 2.537 8.539 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.677 2.290 9.373 1.00 0.00 H new ATOM 235 N LEU A 15 -8.557 3.089 5.801 1.00 0.00 N ATOM 236 CA LEU A 15 -9.442 2.912 4.662 1.00 0.00 C ATOM 237 C LEU A 15 -10.335 1.693 4.901 1.00 0.00 C ATOM 238 O LEU A 15 -9.842 0.609 5.208 1.00 0.00 O ATOM 239 CB LEU A 15 -8.637 2.840 3.363 1.00 0.00 C ATOM 240 CG LEU A 15 -9.228 3.585 2.165 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.385 2.799 1.547 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.644 5.006 2.553 1.00 0.00 C ATOM 0 H LEU A 15 -8.155 2.226 6.167 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.100 3.774 4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.639 3.235 3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.518 1.791 3.091 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.454 3.673 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.787 3.351 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.026 1.826 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.168 2.659 2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.061 5.513 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.395 4.963 3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.773 5.555 2.911 1.00 0.00 H new ATOM 254 N GLU A 16 -11.633 1.912 4.749 1.00 0.00 N ATOM 255 CA GLU A 16 -12.599 0.844 4.945 1.00 0.00 C ATOM 256 C GLU A 16 -12.966 0.208 3.602 1.00 0.00 C ATOM 257 O GLU A 16 -13.633 0.832 2.778 1.00 0.00 O ATOM 258 CB GLU A 16 -13.846 1.358 5.667 1.00 0.00 C ATOM 259 CG GLU A 16 -14.320 2.684 5.068 1.00 0.00 C ATOM 260 CD GLU A 16 -13.865 3.867 5.925 1.00 0.00 C ATOM 261 OE1 GLU A 16 -12.720 4.318 5.706 1.00 0.00 O ATOM 262 OE2 GLU A 16 -14.673 4.293 6.778 1.00 0.00 O ATOM 0 H GLU A 16 -12.038 2.812 4.493 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.144 0.080 5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.643 0.618 5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.628 1.491 6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.928 2.791 4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.407 2.684 4.990 1.00 0.00 H new ATOM 269 N VAL A 17 -12.514 -1.024 3.424 1.00 0.00 N ATOM 270 CA VAL A 17 -12.787 -1.751 2.195 1.00 0.00 C ATOM 271 C VAL A 17 -13.340 -3.136 2.539 1.00 0.00 C ATOM 272 O VAL A 17 -13.508 -3.468 3.711 1.00 0.00 O ATOM 273 CB VAL A 17 -11.527 -1.808 1.330 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.114 -0.409 0.869 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.382 -2.500 2.074 1.00 0.00 C ATOM 0 H VAL A 17 -11.961 -1.538 4.110 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.546 -1.235 1.606 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.756 -2.399 0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.216 -0.478 0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.920 0.034 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.912 0.216 1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.498 -2.527 1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.155 -1.948 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.677 -3.518 2.329 1.00 0.00 H new ATOM 285 N GLU A 18 -13.607 -3.907 1.495 1.00 0.00 N ATOM 286 CA GLU A 18 -14.137 -5.248 1.672 1.00 0.00 C ATOM 287 C GLU A 18 -13.064 -6.289 1.349 1.00 0.00 C ATOM 288 O GLU A 18 -12.083 -5.986 0.671 1.00 0.00 O ATOM 289 CB GLU A 18 -15.386 -5.462 0.813 1.00 0.00 C ATOM 290 CG GLU A 18 -16.654 -5.401 1.665 1.00 0.00 C ATOM 291 CD GLU A 18 -17.820 -4.809 0.871 1.00 0.00 C ATOM 292 OE1 GLU A 18 -18.527 -5.608 0.219 1.00 0.00 O ATOM 293 OE2 GLU A 18 -17.978 -3.571 0.933 1.00 0.00 O ATOM 0 H GLU A 18 -13.466 -3.629 0.524 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.429 -5.368 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.430 -4.701 0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.326 -6.428 0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.914 -6.402 2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.471 -4.797 2.554 1.00 0.00 H new ATOM 300 N PRO A 19 -13.292 -7.528 1.862 1.00 0.00 N ATOM 301 CA PRO A 19 -12.356 -8.617 1.636 1.00 0.00 C ATOM 302 C PRO A 19 -12.472 -9.150 0.207 1.00 0.00 C ATOM 303 O PRO A 19 -11.593 -9.872 -0.263 1.00 0.00 O ATOM 304 CB PRO A 19 -12.701 -9.657 2.689 1.00 0.00 C ATOM 305 CG PRO A 19 -14.106 -9.322 3.162 1.00 0.00 C ATOM 306 CD PRO A 19 -14.442 -7.923 2.670 1.00 0.00 C ATOM 0 HA PRO A 19 -11.316 -8.305 1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.659 -10.663 2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.992 -9.625 3.517 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.822 -10.046 2.773 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.164 -9.368 4.249 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.359 -7.920 2.081 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.595 -7.237 3.503 1.00 0.00 H new ATOM 314 N SER A 20 -13.563 -8.775 -0.445 1.00 0.00 N ATOM 315 CA SER A 20 -13.805 -9.207 -1.810 1.00 0.00 C ATOM 316 C SER A 20 -13.185 -8.211 -2.792 1.00 0.00 C ATOM 317 O SER A 20 -12.865 -8.568 -3.924 1.00 0.00 O ATOM 318 CB SER A 20 -15.302 -9.359 -2.082 1.00 0.00 C ATOM 319 OG SER A 20 -15.937 -8.102 -2.300 1.00 0.00 O ATOM 0 H SER A 20 -14.289 -8.176 -0.052 1.00 0.00 H new ATOM 0 HA SER A 20 -13.338 -10.182 -1.948 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.449 -9.995 -2.955 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.774 -9.862 -1.238 1.00 0.00 H new ATOM 0 HG SER A 20 -16.891 -8.243 -2.472 1.00 0.00 H new ATOM 325 N ASP A 21 -13.037 -6.981 -2.321 1.00 0.00 N ATOM 326 CA ASP A 21 -12.462 -5.930 -3.144 1.00 0.00 C ATOM 327 C ASP A 21 -10.999 -6.265 -3.443 1.00 0.00 C ATOM 328 O ASP A 21 -10.295 -6.804 -2.591 1.00 0.00 O ATOM 329 CB ASP A 21 -12.499 -4.582 -2.421 1.00 0.00 C ATOM 330 CG ASP A 21 -13.829 -4.249 -1.742 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.819 -4.943 -2.063 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.827 -3.308 -0.919 1.00 0.00 O ATOM 0 H ASP A 21 -13.305 -6.689 -1.381 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.046 -5.864 -4.062 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.711 -4.569 -1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.268 -3.795 -3.139 1.00 0.00 H new ATOM 337 N THR A 22 -10.585 -5.932 -4.657 1.00 0.00 N ATOM 338 CA THR A 22 -9.219 -6.191 -5.080 1.00 0.00 C ATOM 339 C THR A 22 -8.302 -5.044 -4.650 1.00 0.00 C ATOM 340 O THR A 22 -8.763 -4.052 -4.090 1.00 0.00 O ATOM 341 CB THR A 22 -9.229 -6.429 -6.591 1.00 0.00 C ATOM 342 OG1 THR A 22 -10.209 -5.518 -7.080 1.00 0.00 O ATOM 343 CG2 THR A 22 -9.782 -7.806 -6.963 1.00 0.00 C ATOM 0 H THR A 22 -11.172 -5.485 -5.361 1.00 0.00 H new ATOM 0 HA THR A 22 -8.818 -7.083 -4.600 1.00 0.00 H new ATOM 0 HB THR A 22 -8.216 -6.327 -6.981 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.279 -5.605 -8.054 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.767 -7.924 -8.047 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.167 -8.581 -6.505 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.807 -7.896 -6.602 1.00 0.00 H new ATOM 351 N ILE A 23 -7.019 -5.218 -4.932 1.00 0.00 N ATOM 352 CA ILE A 23 -6.033 -4.211 -4.582 1.00 0.00 C ATOM 353 C ILE A 23 -6.297 -2.941 -5.394 1.00 0.00 C ATOM 354 O ILE A 23 -6.174 -1.832 -4.876 1.00 0.00 O ATOM 355 CB ILE A 23 -4.617 -4.764 -4.751 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.256 -5.709 -3.602 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.599 -3.632 -4.904 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.170 -4.950 -2.276 1.00 0.00 C ATOM 0 H ILE A 23 -6.640 -6.042 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.122 -3.942 -3.529 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.587 -5.349 -5.670 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.004 -6.498 -3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.302 -6.194 -3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.601 -4.054 -5.022 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.847 -3.035 -5.782 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.622 -2.999 -4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.912 -5.644 -1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.404 -4.178 -2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.133 -4.487 -2.059 1.00 0.00 H new ATOM 370 N GLU A 24 -6.656 -3.146 -6.652 1.00 0.00 N ATOM 371 CA GLU A 24 -6.939 -2.032 -7.541 1.00 0.00 C ATOM 372 C GLU A 24 -8.151 -1.246 -7.038 1.00 0.00 C ATOM 373 O GLU A 24 -8.220 -0.029 -7.205 1.00 0.00 O ATOM 374 CB GLU A 24 -7.157 -2.516 -8.976 1.00 0.00 C ATOM 375 CG GLU A 24 -8.329 -3.497 -9.051 1.00 0.00 C ATOM 376 CD GLU A 24 -9.647 -2.759 -9.295 1.00 0.00 C ATOM 377 OE1 GLU A 24 -9.618 -1.795 -10.090 1.00 0.00 O ATOM 378 OE2 GLU A 24 -10.653 -3.176 -8.682 1.00 0.00 O ATOM 0 H GLU A 24 -6.758 -4.067 -7.077 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.075 -1.368 -7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.350 -1.663 -9.626 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.251 -2.998 -9.343 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.156 -4.215 -9.853 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.392 -4.065 -8.123 1.00 0.00 H new ATOM 385 N ASN A 25 -9.078 -1.973 -6.431 1.00 0.00 N ATOM 386 CA ASN A 25 -10.284 -1.360 -5.901 1.00 0.00 C ATOM 387 C ASN A 25 -9.923 -0.502 -4.686 1.00 0.00 C ATOM 388 O ASN A 25 -10.361 0.642 -4.579 1.00 0.00 O ATOM 389 CB ASN A 25 -11.289 -2.421 -5.449 1.00 0.00 C ATOM 390 CG ASN A 25 -12.585 -2.328 -6.258 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.343 -1.377 -6.157 1.00 0.00 O ATOM 392 ND2 ASN A 25 -12.796 -3.365 -7.063 1.00 0.00 N ATOM 0 H ASN A 25 -9.018 -2.982 -6.294 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.730 -0.755 -6.691 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.853 -3.413 -5.566 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.508 -2.292 -4.389 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -13.633 -3.397 -7.644 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.120 -4.128 -7.099 1.00 0.00 H new ATOM 399 N VAL A 26 -9.130 -1.089 -3.802 1.00 0.00 N ATOM 400 CA VAL A 26 -8.706 -0.393 -2.599 1.00 0.00 C ATOM 401 C VAL A 26 -7.853 0.817 -2.989 1.00 0.00 C ATOM 402 O VAL A 26 -7.978 1.886 -2.394 1.00 0.00 O ATOM 403 CB VAL A 26 -7.978 -1.361 -1.664 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.587 -0.669 -0.357 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.827 -2.605 -1.394 1.00 0.00 C ATOM 0 H VAL A 26 -8.770 -2.039 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.570 -0.019 -2.049 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.062 -1.682 -2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.071 -1.378 0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.927 0.171 -0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.484 -0.306 0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.287 -3.277 -0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.767 -2.310 -0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.033 -3.116 -2.334 1.00 0.00 H new ATOM 415 N LYS A 27 -7.007 0.607 -3.986 1.00 0.00 N ATOM 416 CA LYS A 27 -6.134 1.667 -4.463 1.00 0.00 C ATOM 417 C LYS A 27 -6.984 2.799 -5.044 1.00 0.00 C ATOM 418 O LYS A 27 -6.718 3.973 -4.789 1.00 0.00 O ATOM 419 CB LYS A 27 -5.099 1.110 -5.442 1.00 0.00 C ATOM 420 CG LYS A 27 -3.895 0.531 -4.697 1.00 0.00 C ATOM 421 CD LYS A 27 -2.759 0.196 -5.666 1.00 0.00 C ATOM 422 CE LYS A 27 -1.604 -0.496 -4.939 1.00 0.00 C ATOM 423 NZ LYS A 27 -0.700 -1.152 -5.911 1.00 0.00 N ATOM 0 H LYS A 27 -6.907 -0.281 -4.477 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.561 2.089 -3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.556 0.336 -6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.768 1.900 -6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.544 1.247 -3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.194 -0.368 -4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.133 -0.450 -6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.400 1.109 -6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.048 0.233 -4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.996 -1.236 -4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.449 -2.101 -5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.179 -1.233 -6.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.164 -0.584 -6.020 1.00 0.00 H new ATOM 437 N ALA A 28 -7.989 2.406 -5.813 1.00 0.00 N ATOM 438 CA ALA A 28 -8.879 3.374 -6.432 1.00 0.00 C ATOM 439 C ALA A 28 -9.615 4.153 -5.341 1.00 0.00 C ATOM 440 O ALA A 28 -9.884 5.343 -5.499 1.00 0.00 O ATOM 441 CB ALA A 28 -9.838 2.651 -7.380 1.00 0.00 C ATOM 0 H ALA A 28 -8.207 1.432 -6.021 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.313 4.092 -7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.506 3.376 -7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.267 2.137 -8.153 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.425 1.924 -6.819 1.00 0.00 H new ATOM 447 N LYS A 29 -9.920 3.451 -4.260 1.00 0.00 N ATOM 448 CA LYS A 29 -10.621 4.063 -3.143 1.00 0.00 C ATOM 449 C LYS A 29 -9.737 5.150 -2.527 1.00 0.00 C ATOM 450 O LYS A 29 -10.200 6.261 -2.271 1.00 0.00 O ATOM 451 CB LYS A 29 -11.072 2.996 -2.144 1.00 0.00 C ATOM 452 CG LYS A 29 -12.593 3.010 -1.976 1.00 0.00 C ATOM 453 CD LYS A 29 -13.004 2.340 -0.664 1.00 0.00 C ATOM 454 CE LYS A 29 -14.054 3.175 0.072 1.00 0.00 C ATOM 455 NZ LYS A 29 -13.409 4.294 0.797 1.00 0.00 N ATOM 0 H LYS A 29 -9.695 2.464 -4.133 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.534 4.550 -3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.749 2.013 -2.486 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.594 3.170 -1.180 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.955 4.038 -1.993 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.060 2.494 -2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.402 1.346 -0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.128 2.208 -0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.781 3.566 -0.640 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.601 2.546 0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.140 4.937 1.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.850 3.918 1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.784 4.814 0.148 1.00 0.00 H new ATOM 469 N ILE A 30 -8.481 4.792 -2.306 1.00 0.00 N ATOM 470 CA ILE A 30 -7.529 5.722 -1.724 1.00 0.00 C ATOM 471 C ILE A 30 -7.354 6.919 -2.661 1.00 0.00 C ATOM 472 O ILE A 30 -7.188 8.050 -2.205 1.00 0.00 O ATOM 473 CB ILE A 30 -6.217 5.007 -1.389 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.457 3.850 -0.416 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.175 5.994 -0.860 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.430 2.737 -0.625 1.00 0.00 C ATOM 0 H ILE A 30 -8.100 3.870 -2.520 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.905 6.109 -0.777 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.817 4.578 -2.308 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.400 4.215 0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.462 3.453 -0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.253 5.461 -0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.976 6.753 -1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.553 6.472 0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.623 1.927 0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.506 2.358 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.427 3.131 -0.459 1.00 0.00 H new ATOM 488 N GLN A 31 -7.396 6.629 -3.954 1.00 0.00 N ATOM 489 CA GLN A 31 -7.246 7.668 -4.958 1.00 0.00 C ATOM 490 C GLN A 31 -8.426 8.641 -4.899 1.00 0.00 C ATOM 491 O GLN A 31 -8.235 9.846 -4.746 1.00 0.00 O ATOM 492 CB GLN A 31 -7.104 7.063 -6.356 1.00 0.00 C ATOM 493 CG GLN A 31 -6.994 8.157 -7.420 1.00 0.00 C ATOM 494 CD GLN A 31 -6.728 7.554 -8.801 1.00 0.00 C ATOM 495 OE1 GLN A 31 -7.221 6.493 -9.149 1.00 0.00 O ATOM 496 NE2 GLN A 31 -5.925 8.287 -9.565 1.00 0.00 N ATOM 0 H GLN A 31 -7.532 5.690 -4.328 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.333 8.223 -4.743 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.220 6.426 -6.392 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.964 6.428 -6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.915 8.739 -7.445 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.190 8.844 -7.158 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.547 9.166 -9.211 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.687 7.971 -10.505 1.00 0.00 H new ATOM 505 N ASP A 32 -9.620 8.079 -5.023 1.00 0.00 N ATOM 506 CA ASP A 32 -10.831 8.882 -4.985 1.00 0.00 C ATOM 507 C ASP A 32 -10.884 9.655 -3.666 1.00 0.00 C ATOM 508 O ASP A 32 -11.533 10.696 -3.579 1.00 0.00 O ATOM 509 CB ASP A 32 -12.078 8.000 -5.067 1.00 0.00 C ATOM 510 CG ASP A 32 -13.106 8.428 -6.116 1.00 0.00 C ATOM 511 OD1 ASP A 32 -13.987 9.237 -5.750 1.00 0.00 O ATOM 512 OD2 ASP A 32 -12.987 7.938 -7.260 1.00 0.00 O ATOM 0 H ASP A 32 -9.775 7.079 -5.150 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.813 9.561 -5.837 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.768 6.977 -5.281 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.561 7.989 -4.090 1.00 0.00 H new ATOM 517 N LYS A 33 -10.192 9.117 -2.673 1.00 0.00 N ATOM 518 CA LYS A 33 -10.153 9.744 -1.363 1.00 0.00 C ATOM 519 C LYS A 33 -9.254 10.981 -1.421 1.00 0.00 C ATOM 520 O LYS A 33 -9.737 12.108 -1.311 1.00 0.00 O ATOM 521 CB LYS A 33 -9.734 8.730 -0.296 1.00 0.00 C ATOM 522 CG LYS A 33 -10.701 8.750 0.890 1.00 0.00 C ATOM 523 CD LYS A 33 -9.941 8.801 2.216 1.00 0.00 C ATOM 524 CE LYS A 33 -10.063 10.181 2.866 1.00 0.00 C ATOM 525 NZ LYS A 33 -10.472 10.054 4.282 1.00 0.00 N ATOM 0 H LYS A 33 -9.654 8.254 -2.749 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.147 10.085 -1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.706 7.731 -0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.725 8.956 0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.361 9.614 0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.333 7.863 0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.332 8.041 2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.890 8.567 2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.109 10.705 2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.793 10.782 2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.550 11.000 4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.393 9.574 4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.761 9.499 4.800 1.00 0.00 H new ATOM 539 N GLU A 34 -7.965 10.729 -1.594 1.00 0.00 N ATOM 540 CA GLU A 34 -6.996 11.809 -1.669 1.00 0.00 C ATOM 541 C GLU A 34 -6.786 12.235 -3.123 1.00 0.00 C ATOM 542 O GLU A 34 -6.994 13.396 -3.470 1.00 0.00 O ATOM 543 CB GLU A 34 -5.672 11.402 -1.020 1.00 0.00 C ATOM 544 CG GLU A 34 -5.012 12.596 -0.325 1.00 0.00 C ATOM 545 CD GLU A 34 -3.605 12.239 0.159 1.00 0.00 C ATOM 546 OE1 GLU A 34 -3.507 11.299 0.977 1.00 0.00 O ATOM 547 OE2 GLU A 34 -2.659 12.914 -0.300 1.00 0.00 O ATOM 0 H GLU A 34 -7.569 9.793 -1.684 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.388 12.662 -1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.847 10.606 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.999 11.001 -1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.961 13.439 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.622 12.912 0.521 1.00 0.00 H new ATOM 554 N GLY A 35 -6.377 11.271 -3.935 1.00 0.00 N ATOM 555 CA GLY A 35 -6.136 11.532 -5.344 1.00 0.00 C ATOM 556 C GLY A 35 -4.750 11.038 -5.764 1.00 0.00 C ATOM 557 O GLY A 35 -4.105 11.642 -6.620 1.00 0.00 O ATOM 0 H GLY A 35 -6.206 10.308 -3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.900 11.038 -5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.219 12.601 -5.539 1.00 0.00 H new ATOM 561 N ILE A 36 -4.333 9.945 -5.143 1.00 0.00 N ATOM 562 CA ILE A 36 -3.035 9.363 -5.442 1.00 0.00 C ATOM 563 C ILE A 36 -3.187 8.340 -6.570 1.00 0.00 C ATOM 564 O ILE A 36 -4.182 7.620 -6.630 1.00 0.00 O ATOM 565 CB ILE A 36 -2.400 8.790 -4.173 1.00 0.00 C ATOM 566 CG1 ILE A 36 -2.146 9.890 -3.142 1.00 0.00 C ATOM 567 CG2 ILE A 36 -1.127 8.008 -4.503 1.00 0.00 C ATOM 568 CD1 ILE A 36 -2.127 9.319 -1.723 1.00 0.00 C ATOM 0 H ILE A 36 -4.871 9.447 -4.434 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.346 10.129 -5.797 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.103 8.087 -3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.195 10.379 -3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.921 10.653 -3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.695 7.611 -3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.370 7.185 -5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.408 8.670 -4.985 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.944 10.123 -1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.088 8.852 -1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.335 8.574 -1.641 1.00 0.00 H new ATOM 580 N PRO A 37 -2.158 8.308 -7.460 1.00 0.00 N ATOM 581 CA PRO A 37 -2.169 7.387 -8.581 1.00 0.00 C ATOM 582 C PRO A 37 -1.860 5.960 -8.122 1.00 0.00 C ATOM 583 O PRO A 37 -1.075 5.758 -7.198 1.00 0.00 O ATOM 584 CB PRO A 37 -1.133 7.935 -9.551 1.00 0.00 C ATOM 585 CG PRO A 37 -0.256 8.872 -8.736 1.00 0.00 C ATOM 586 CD PRO A 37 -0.964 9.147 -7.419 1.00 0.00 C ATOM 0 HA PRO A 37 -3.146 7.318 -9.058 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.543 7.130 -9.989 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.611 8.465 -10.375 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.721 8.422 -8.557 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.084 9.802 -9.278 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.331 8.894 -6.568 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.223 10.201 -7.321 1.00 0.00 H new ATOM 594 N PRO A 38 -2.512 4.982 -8.806 1.00 0.00 N ATOM 595 CA PRO A 38 -2.316 3.580 -8.478 1.00 0.00 C ATOM 596 C PRO A 38 -0.963 3.082 -8.988 1.00 0.00 C ATOM 597 O PRO A 38 -0.380 2.164 -8.415 1.00 0.00 O ATOM 598 CB PRO A 38 -3.493 2.859 -9.114 1.00 0.00 C ATOM 599 CG PRO A 38 -4.049 3.811 -10.161 1.00 0.00 C ATOM 600 CD PRO A 38 -3.451 5.185 -9.907 1.00 0.00 C ATOM 0 HA PRO A 38 -2.289 3.399 -7.403 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.177 1.920 -9.569 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.249 2.613 -8.369 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.798 3.465 -11.163 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.137 3.851 -10.101 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.945 5.567 -10.794 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.221 5.910 -9.642 1.00 0.00 H new ATOM 608 N ASP A 39 -0.502 3.710 -10.060 1.00 0.00 N ATOM 609 CA ASP A 39 0.772 3.342 -10.654 1.00 0.00 C ATOM 610 C ASP A 39 1.905 3.731 -9.701 1.00 0.00 C ATOM 611 O ASP A 39 2.948 3.080 -9.674 1.00 0.00 O ATOM 612 CB ASP A 39 0.995 4.076 -11.978 1.00 0.00 C ATOM 613 CG ASP A 39 0.336 3.425 -13.196 1.00 0.00 C ATOM 614 OD1 ASP A 39 -0.518 2.540 -12.975 1.00 0.00 O ATOM 615 OD2 ASP A 39 0.704 3.827 -14.321 1.00 0.00 O ATOM 0 H ASP A 39 -0.988 4.472 -10.533 1.00 0.00 H new ATOM 0 HA ASP A 39 0.762 2.267 -10.835 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.618 5.094 -11.880 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.067 4.150 -12.160 1.00 0.00 H new ATOM 620 N GLN A 40 1.660 4.789 -8.942 1.00 0.00 N ATOM 621 CA GLN A 40 2.646 5.271 -7.991 1.00 0.00 C ATOM 622 C GLN A 40 2.327 4.753 -6.587 1.00 0.00 C ATOM 623 O GLN A 40 2.955 5.164 -5.612 1.00 0.00 O ATOM 624 CB GLN A 40 2.721 6.799 -8.007 1.00 0.00 C ATOM 625 CG GLN A 40 2.739 7.333 -9.441 1.00 0.00 C ATOM 626 CD GLN A 40 3.887 6.715 -10.241 1.00 0.00 C ATOM 627 OE1 GLN A 40 3.734 5.718 -10.927 1.00 0.00 O ATOM 628 NE2 GLN A 40 5.043 7.361 -10.116 1.00 0.00 N ATOM 0 H GLN A 40 0.793 5.326 -8.967 1.00 0.00 H new ATOM 0 HA GLN A 40 3.623 4.888 -8.285 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.867 7.214 -7.471 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.617 7.128 -7.481 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.790 7.110 -9.928 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.843 8.418 -9.428 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.103 8.190 -9.525 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.870 7.027 -10.611 1.00 0.00 H new ATOM 637 N GLN A 41 1.352 3.857 -6.528 1.00 0.00 N ATOM 638 CA GLN A 41 0.943 3.278 -5.260 1.00 0.00 C ATOM 639 C GLN A 41 1.693 1.969 -5.008 1.00 0.00 C ATOM 640 O GLN A 41 1.718 1.088 -5.868 1.00 0.00 O ATOM 641 CB GLN A 41 -0.571 3.060 -5.221 1.00 0.00 C ATOM 642 CG GLN A 41 -1.290 4.305 -4.700 1.00 0.00 C ATOM 643 CD GLN A 41 -2.767 4.295 -5.103 1.00 0.00 C ATOM 644 OE1 GLN A 41 -3.174 4.900 -6.081 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.543 3.574 -4.298 1.00 0.00 N ATOM 0 H GLN A 41 0.834 3.518 -7.338 1.00 0.00 H new ATOM 0 HA GLN A 41 1.197 3.978 -4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.933 2.818 -6.220 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.803 2.208 -4.583 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.206 4.350 -3.614 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.808 5.199 -5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.137 3.092 -3.496 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.544 3.503 -4.483 1.00 0.00 H new ATOM 654 N ARG A 42 2.285 1.880 -3.827 1.00 0.00 N ATOM 655 CA ARG A 42 3.032 0.693 -3.450 1.00 0.00 C ATOM 656 C ARG A 42 2.652 0.252 -2.035 1.00 0.00 C ATOM 657 O ARG A 42 3.156 0.795 -1.054 1.00 0.00 O ATOM 658 CB ARG A 42 4.540 0.950 -3.508 1.00 0.00 C ATOM 659 CG ARG A 42 5.239 -0.088 -4.389 1.00 0.00 C ATOM 660 CD ARG A 42 6.073 -1.051 -3.542 1.00 0.00 C ATOM 661 NE ARG A 42 6.584 -2.154 -4.387 1.00 0.00 N ATOM 662 CZ ARG A 42 7.314 -3.178 -3.924 1.00 0.00 C ATOM 663 NH1 ARG A 42 7.624 -3.246 -2.622 1.00 0.00 N ATOM 664 NH2 ARG A 42 7.736 -4.134 -4.764 1.00 0.00 N ATOM 0 H ARG A 42 2.262 2.612 -3.117 1.00 0.00 H new ATOM 0 HA ARG A 42 2.781 -0.095 -4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.727 1.950 -3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.957 0.918 -2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.496 -0.648 -4.958 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.881 0.416 -5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.905 -0.518 -3.083 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.467 -1.454 -2.731 1.00 0.00 H new ATOM 0 HE ARG A 42 6.367 -2.133 -5.383 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.304 -2.518 -1.983 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.180 -4.026 -2.270 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.501 -4.082 -5.755 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.292 -4.913 -4.412 1.00 0.00 H new ATOM 678 N LEU A 43 1.764 -0.731 -1.975 1.00 0.00 N ATOM 679 CA LEU A 43 1.310 -1.251 -0.697 1.00 0.00 C ATOM 680 C LEU A 43 2.100 -2.517 -0.356 1.00 0.00 C ATOM 681 O LEU A 43 1.998 -3.524 -1.056 1.00 0.00 O ATOM 682 CB LEU A 43 -0.206 -1.459 -0.712 1.00 0.00 C ATOM 683 CG LEU A 43 -0.999 -0.545 -1.648 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.504 -0.767 -1.485 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.610 0.920 -1.444 1.00 0.00 C ATOM 0 H LEU A 43 1.348 -1.180 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 43 1.503 -0.530 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.408 -2.494 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.582 -1.322 0.302 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.745 -0.805 -2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.045 -0.105 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.747 -1.803 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.794 -0.551 -0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.189 1.548 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.817 1.211 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.453 1.046 -1.651 1.00 0.00 H new ATOM 697 N ILE A 44 2.870 -2.423 0.717 1.00 0.00 N ATOM 698 CA ILE A 44 3.678 -3.547 1.159 1.00 0.00 C ATOM 699 C ILE A 44 3.012 -4.204 2.369 1.00 0.00 C ATOM 700 O ILE A 44 2.398 -3.523 3.190 1.00 0.00 O ATOM 701 CB ILE A 44 5.120 -3.104 1.416 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.790 -2.642 0.121 1.00 0.00 C ATOM 703 CG2 ILE A 44 5.917 -4.209 2.112 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.780 -1.506 0.390 1.00 0.00 C ATOM 0 H ILE A 44 2.952 -1.586 1.294 1.00 0.00 H new ATOM 0 HA ILE A 44 3.737 -4.304 0.377 1.00 0.00 H new ATOM 0 HB ILE A 44 5.100 -2.248 2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.310 -3.480 -0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.031 -2.308 -0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.938 -3.868 2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.450 -4.448 3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.932 -5.099 1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.242 -1.197 -0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.252 -0.660 0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.552 -1.851 1.078 1.00 0.00 H new ATOM 716 N PHE A 45 3.156 -5.519 2.444 1.00 0.00 N ATOM 717 CA PHE A 45 2.576 -6.275 3.540 1.00 0.00 C ATOM 718 C PHE A 45 3.384 -7.542 3.821 1.00 0.00 C ATOM 719 O PHE A 45 3.361 -8.486 3.031 1.00 0.00 O ATOM 720 CB PHE A 45 1.161 -6.671 3.112 1.00 0.00 C ATOM 721 CG PHE A 45 0.183 -6.841 4.275 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.448 -7.743 5.259 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.952 -6.093 4.326 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.460 -7.901 6.340 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.859 -6.252 5.407 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.594 -7.152 6.391 1.00 0.00 C ATOM 0 H PHE A 45 3.667 -6.080 1.762 1.00 0.00 H new ATOM 0 HA PHE A 45 2.572 -5.670 4.447 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.773 -5.912 2.432 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.210 -7.605 2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.348 -8.338 5.218 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.163 -5.378 3.544 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.250 -8.616 7.122 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.760 -5.658 5.448 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.284 -7.272 7.213 1.00 0.00 H new ATOM 736 N ALA A 46 4.082 -7.525 4.948 1.00 0.00 N ATOM 737 CA ALA A 46 4.896 -8.661 5.342 1.00 0.00 C ATOM 738 C ALA A 46 5.872 -9.000 4.214 1.00 0.00 C ATOM 739 O ALA A 46 6.003 -10.161 3.829 1.00 0.00 O ATOM 740 CB ALA A 46 3.989 -9.839 5.702 1.00 0.00 C ATOM 0 H ALA A 46 4.100 -6.741 5.601 1.00 0.00 H new ATOM 0 HA ALA A 46 5.486 -8.421 6.227 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.600 -10.692 5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.336 -9.557 6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.383 -10.109 4.837 1.00 0.00 H new ATOM 746 N GLY A 47 6.532 -7.965 3.714 1.00 0.00 N ATOM 747 CA GLY A 47 7.492 -8.139 2.638 1.00 0.00 C ATOM 748 C GLY A 47 6.803 -8.631 1.363 1.00 0.00 C ATOM 749 O GLY A 47 7.468 -9.021 0.404 1.00 0.00 O ATOM 0 H GLY A 47 6.420 -7.003 4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.998 -7.194 2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.258 -8.853 2.941 1.00 0.00 H new ATOM 753 N LYS A 48 5.479 -8.599 1.395 1.00 0.00 N ATOM 754 CA LYS A 48 4.693 -9.038 0.254 1.00 0.00 C ATOM 755 C LYS A 48 4.041 -7.823 -0.408 1.00 0.00 C ATOM 756 O LYS A 48 3.231 -7.135 0.211 1.00 0.00 O ATOM 757 CB LYS A 48 3.695 -10.119 0.675 1.00 0.00 C ATOM 758 CG LYS A 48 3.426 -11.095 -0.472 1.00 0.00 C ATOM 759 CD LYS A 48 2.271 -12.038 -0.131 1.00 0.00 C ATOM 760 CE LYS A 48 2.781 -13.458 0.123 1.00 0.00 C ATOM 761 NZ LYS A 48 2.852 -13.730 1.577 1.00 0.00 N ATOM 0 H LYS A 48 4.931 -8.276 2.192 1.00 0.00 H new ATOM 0 HA LYS A 48 5.334 -9.503 -0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.084 -10.663 1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.760 -9.654 0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.190 -10.539 -1.379 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.325 -11.676 -0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.747 -11.672 0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.550 -12.047 -0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.120 -14.180 -0.356 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.767 -13.583 -0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.200 -14.698 1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.501 -13.052 2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.905 -13.631 1.995 1.00 0.00 H new ATOM 775 N GLN A 49 4.419 -7.597 -1.658 1.00 0.00 N ATOM 776 CA GLN A 49 3.880 -6.476 -2.411 1.00 0.00 C ATOM 777 C GLN A 49 2.510 -6.835 -2.990 1.00 0.00 C ATOM 778 O GLN A 49 2.358 -7.869 -3.639 1.00 0.00 O ATOM 779 CB GLN A 49 4.847 -6.043 -3.515 1.00 0.00 C ATOM 780 CG GLN A 49 5.205 -7.223 -4.423 1.00 0.00 C ATOM 781 CD GLN A 49 5.848 -6.737 -5.723 1.00 0.00 C ATOM 782 OE1 GLN A 49 7.058 -6.679 -5.864 1.00 0.00 O ATOM 783 NE2 GLN A 49 4.973 -6.392 -6.664 1.00 0.00 N ATOM 0 H GLN A 49 5.091 -8.170 -2.168 1.00 0.00 H new ATOM 0 HA GLN A 49 3.755 -5.633 -1.732 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.396 -5.247 -4.107 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.754 -5.634 -3.070 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.889 -7.893 -3.902 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.307 -7.798 -4.650 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.972 -6.465 -6.481 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.303 -6.055 -7.568 1.00 0.00 H new ATOM 792 N LEU A 50 1.548 -5.962 -2.735 1.00 0.00 N ATOM 793 CA LEU A 50 0.196 -6.173 -3.222 1.00 0.00 C ATOM 794 C LEU A 50 0.124 -5.782 -4.700 1.00 0.00 C ATOM 795 O LEU A 50 0.247 -4.608 -5.042 1.00 0.00 O ATOM 796 CB LEU A 50 -0.814 -5.434 -2.342 1.00 0.00 C ATOM 797 CG LEU A 50 -0.572 -5.514 -0.832 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.582 -4.654 -0.070 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.578 -6.966 -0.353 1.00 0.00 C ATOM 0 H LEU A 50 1.678 -5.106 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.071 -7.228 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.821 -4.384 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.808 -5.830 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 50 0.418 -5.110 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.389 -4.728 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.486 -3.615 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.592 -5.005 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.404 -6.995 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.544 -7.419 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.210 -7.521 -0.863 1.00 0.00 H new ATOM 811 N GLU A 51 -0.074 -6.791 -5.537 1.00 0.00 N ATOM 812 CA GLU A 51 -0.163 -6.568 -6.970 1.00 0.00 C ATOM 813 C GLU A 51 -1.610 -6.280 -7.373 1.00 0.00 C ATOM 814 O GLU A 51 -2.498 -7.099 -7.138 1.00 0.00 O ATOM 815 CB GLU A 51 0.396 -7.762 -7.746 1.00 0.00 C ATOM 816 CG GLU A 51 -0.482 -9.000 -7.555 1.00 0.00 C ATOM 817 CD GLU A 51 0.208 -10.251 -8.100 1.00 0.00 C ATOM 818 OE1 GLU A 51 1.268 -10.605 -7.540 1.00 0.00 O ATOM 819 OE2 GLU A 51 -0.340 -10.827 -9.065 1.00 0.00 O ATOM 0 H GLU A 51 -0.175 -7.764 -5.250 1.00 0.00 H new ATOM 0 HA GLU A 51 0.443 -5.698 -7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.457 -7.515 -8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.411 -7.976 -7.410 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.702 -9.134 -6.496 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.436 -8.856 -8.063 1.00 0.00 H new ATOM 826 N ASP A 52 -1.804 -5.116 -7.974 1.00 0.00 N ATOM 827 CA ASP A 52 -3.128 -4.710 -8.412 1.00 0.00 C ATOM 828 C ASP A 52 -3.786 -5.866 -9.168 1.00 0.00 C ATOM 829 O ASP A 52 -3.438 -6.139 -10.316 1.00 0.00 O ATOM 830 CB ASP A 52 -3.053 -3.508 -9.356 1.00 0.00 C ATOM 831 CG ASP A 52 -2.107 -3.681 -10.547 1.00 0.00 C ATOM 832 OD1 ASP A 52 -1.040 -4.298 -10.339 1.00 0.00 O ATOM 833 OD2 ASP A 52 -2.473 -3.192 -11.638 1.00 0.00 O ATOM 0 H ASP A 52 -1.065 -4.440 -8.168 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.707 -4.438 -7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.054 -3.298 -9.733 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.738 -2.635 -8.784 1.00 0.00 H new ATOM 838 N GLY A 53 -4.727 -6.512 -8.496 1.00 0.00 N ATOM 839 CA GLY A 53 -5.437 -7.631 -9.090 1.00 0.00 C ATOM 840 C GLY A 53 -5.737 -8.707 -8.045 1.00 0.00 C ATOM 841 O GLY A 53 -6.557 -9.594 -8.279 1.00 0.00 O ATOM 0 H GLY A 53 -5.014 -6.281 -7.545 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.369 -7.281 -9.534 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.840 -8.058 -9.896 1.00 0.00 H new ATOM 845 N ARG A 54 -5.056 -8.596 -6.914 1.00 0.00 N ATOM 846 CA ARG A 54 -5.239 -9.548 -5.832 1.00 0.00 C ATOM 847 C ARG A 54 -6.229 -8.998 -4.803 1.00 0.00 C ATOM 848 O ARG A 54 -6.374 -7.785 -4.662 1.00 0.00 O ATOM 849 CB ARG A 54 -3.911 -9.856 -5.138 1.00 0.00 C ATOM 850 CG ARG A 54 -3.118 -10.909 -5.914 1.00 0.00 C ATOM 851 CD ARG A 54 -2.986 -12.201 -5.107 1.00 0.00 C ATOM 852 NE ARG A 54 -2.044 -13.124 -5.779 1.00 0.00 N ATOM 853 CZ ARG A 54 -1.403 -14.125 -5.161 1.00 0.00 C ATOM 854 NH1 ARG A 54 -1.598 -14.339 -3.852 1.00 0.00 N ATOM 855 NH2 ARG A 54 -0.567 -14.913 -5.851 1.00 0.00 N ATOM 0 H ARG A 54 -4.376 -7.860 -6.723 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.632 -10.469 -6.264 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.322 -8.943 -5.051 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.100 -10.211 -4.125 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.614 -11.117 -6.862 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.127 -10.521 -6.151 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.632 -11.976 -4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.962 -12.676 -5.003 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.872 -12.989 -6.775 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.234 -13.740 -3.327 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.110 -15.101 -3.382 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.419 -14.751 -6.847 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.079 -15.675 -5.380 1.00 0.00 H new ATOM 869 N THR A 55 -6.885 -9.917 -4.110 1.00 0.00 N ATOM 870 CA THR A 55 -7.857 -9.540 -3.099 1.00 0.00 C ATOM 871 C THR A 55 -7.231 -9.612 -1.704 1.00 0.00 C ATOM 872 O THR A 55 -6.371 -10.454 -1.449 1.00 0.00 O ATOM 873 CB THR A 55 -9.083 -10.440 -3.261 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.572 -11.759 -3.082 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.623 -10.442 -4.693 1.00 0.00 C ATOM 0 H THR A 55 -6.762 -10.923 -4.229 1.00 0.00 H new ATOM 0 HA THR A 55 -8.177 -8.506 -3.225 1.00 0.00 H new ATOM 0 HB THR A 55 -9.866 -10.112 -2.578 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.302 -12.407 -3.169 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.493 -11.096 -4.753 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.911 -9.429 -4.975 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.851 -10.802 -5.373 1.00 0.00 H new ATOM 883 N LEU A 56 -7.687 -8.719 -0.839 1.00 0.00 N ATOM 884 CA LEU A 56 -7.183 -8.671 0.523 1.00 0.00 C ATOM 885 C LEU A 56 -7.382 -10.035 1.185 1.00 0.00 C ATOM 886 O LEU A 56 -6.571 -10.454 2.009 1.00 0.00 O ATOM 887 CB LEU A 56 -7.825 -7.514 1.291 1.00 0.00 C ATOM 888 CG LEU A 56 -7.694 -6.130 0.653 1.00 0.00 C ATOM 889 CD1 LEU A 56 -8.868 -5.231 1.047 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.345 -5.493 0.994 1.00 0.00 C ATOM 0 H LEU A 56 -8.400 -8.023 -1.055 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.112 -8.469 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.885 -7.734 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.384 -7.476 2.287 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.729 -6.249 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.750 -4.253 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.801 -5.683 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.890 -5.115 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.279 -4.510 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.255 -5.389 2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.539 -6.126 0.622 1.00 0.00 H new ATOM 902 N SER A 57 -8.468 -10.691 0.800 1.00 0.00 N ATOM 903 CA SER A 57 -8.785 -11.999 1.346 1.00 0.00 C ATOM 904 C SER A 57 -7.692 -13.003 0.969 1.00 0.00 C ATOM 905 O SER A 57 -7.267 -13.803 1.800 1.00 0.00 O ATOM 906 CB SER A 57 -10.148 -12.488 0.851 1.00 0.00 C ATOM 907 OG SER A 57 -10.451 -13.796 1.326 1.00 0.00 O ATOM 0 H SER A 57 -9.139 -10.340 0.116 1.00 0.00 H new ATOM 0 HA SER A 57 -8.833 -11.913 2.432 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.923 -11.795 1.179 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.160 -12.487 -0.239 1.00 0.00 H new ATOM 0 HG SER A 57 -11.329 -14.071 0.989 1.00 0.00 H new ATOM 913 N ASP A 58 -7.271 -12.925 -0.285 1.00 0.00 N ATOM 914 CA ASP A 58 -6.237 -13.817 -0.782 1.00 0.00 C ATOM 915 C ASP A 58 -4.932 -13.547 -0.029 1.00 0.00 C ATOM 916 O ASP A 58 -4.028 -14.381 -0.028 1.00 0.00 O ATOM 917 CB ASP A 58 -5.979 -13.584 -2.272 1.00 0.00 C ATOM 918 CG ASP A 58 -6.084 -14.834 -3.149 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.081 -15.939 -2.565 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.166 -14.656 -4.383 1.00 0.00 O ATOM 0 H ASP A 58 -7.627 -12.259 -0.971 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.574 -14.842 -0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.689 -12.842 -2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.983 -13.158 -2.391 1.00 0.00 H new ATOM 925 N TYR A 59 -4.875 -12.378 0.593 1.00 0.00 N ATOM 926 CA TYR A 59 -3.697 -11.988 1.347 1.00 0.00 C ATOM 927 C TYR A 59 -3.887 -12.261 2.840 1.00 0.00 C ATOM 928 O TYR A 59 -2.919 -12.277 3.600 1.00 0.00 O ATOM 929 CB TYR A 59 -3.538 -10.481 1.132 1.00 0.00 C ATOM 930 CG TYR A 59 -2.878 -10.108 -0.196 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.721 -10.747 -0.595 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.439 -9.134 -0.996 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.099 -10.395 -1.845 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.818 -8.782 -2.246 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.679 -9.431 -2.610 1.00 0.00 C ATOM 936 OH TYR A 59 -1.092 -9.099 -3.791 1.00 0.00 O ATOM 0 H TYR A 59 -5.627 -11.688 0.590 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.825 -12.552 1.015 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.521 -10.012 1.182 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.946 -10.068 1.949 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.283 -11.511 0.030 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.345 -8.635 -0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.192 -10.885 -2.168 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.246 -8.020 -2.880 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.053 -9.889 -4.370 1.00 0.00 H new ATOM 946 N ASN A 60 -5.139 -12.470 3.217 1.00 0.00 N ATOM 947 CA ASN A 60 -5.469 -12.741 4.605 1.00 0.00 C ATOM 948 C ASN A 60 -5.048 -11.550 5.467 1.00 0.00 C ATOM 949 O ASN A 60 -4.147 -11.666 6.297 1.00 0.00 O ATOM 950 CB ASN A 60 -4.728 -13.979 5.116 1.00 0.00 C ATOM 951 CG ASN A 60 -5.534 -14.692 6.202 1.00 0.00 C ATOM 952 OD1 ASN A 60 -5.719 -14.197 7.301 1.00 0.00 O ATOM 953 ND2 ASN A 60 -6.003 -15.882 5.834 1.00 0.00 N ATOM 0 H ASN A 60 -5.939 -12.457 2.584 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.544 -12.912 4.668 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.542 -14.663 4.288 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.756 -13.687 5.513 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.554 -16.438 6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.811 -16.238 4.898 1.00 0.00 H new ATOM 960 N ILE A 61 -5.720 -10.430 5.241 1.00 0.00 N ATOM 961 CA ILE A 61 -5.426 -9.218 5.986 1.00 0.00 C ATOM 962 C ILE A 61 -6.242 -9.210 7.281 1.00 0.00 C ATOM 963 O ILE A 61 -7.386 -9.663 7.301 1.00 0.00 O ATOM 964 CB ILE A 61 -5.650 -7.982 5.111 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.396 -7.649 4.302 1.00 0.00 C ATOM 966 CG2 ILE A 61 -6.125 -6.795 5.951 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.560 -8.065 2.839 1.00 0.00 C ATOM 0 H ILE A 61 -6.467 -10.337 4.553 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.374 -9.192 6.270 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.442 -8.207 4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.196 -6.579 4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.534 -8.158 4.734 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.277 -5.930 5.305 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.064 -7.050 6.443 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.373 -6.558 6.704 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.654 -7.817 2.286 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.736 -9.139 2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.407 -7.536 2.403 1.00 0.00 H new ATOM 979 N GLN A 62 -5.622 -8.691 8.330 1.00 0.00 N ATOM 980 CA GLN A 62 -6.276 -8.619 9.626 1.00 0.00 C ATOM 981 C GLN A 62 -6.932 -7.250 9.814 1.00 0.00 C ATOM 982 O GLN A 62 -6.469 -6.254 9.260 1.00 0.00 O ATOM 983 CB GLN A 62 -5.288 -8.914 10.757 1.00 0.00 C ATOM 984 CG GLN A 62 -4.221 -9.913 10.306 1.00 0.00 C ATOM 985 CD GLN A 62 -2.887 -9.210 10.043 1.00 0.00 C ATOM 986 OE1 GLN A 62 -2.810 -7.999 9.909 1.00 0.00 O ATOM 987 NE2 GLN A 62 -1.845 -10.033 9.978 1.00 0.00 N ATOM 0 H GLN A 62 -4.674 -8.316 8.309 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.054 -9.381 9.661 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.811 -7.988 11.079 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.824 -9.313 11.618 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.088 -10.678 11.071 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.553 -10.421 9.401 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.980 -11.037 10.099 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.911 -9.661 9.807 1.00 0.00 H new ATOM 996 N LYS A 63 -8.000 -7.243 10.598 1.00 0.00 N ATOM 997 CA LYS A 63 -8.724 -6.013 10.866 1.00 0.00 C ATOM 998 C LYS A 63 -7.736 -4.929 11.303 1.00 0.00 C ATOM 999 O LYS A 63 -6.931 -5.148 12.207 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.850 -6.261 11.871 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.351 -7.086 13.060 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.238 -8.312 13.287 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.721 -9.153 14.455 1.00 0.00 C ATOM 1004 NZ LYS A 63 -9.616 -10.576 14.064 1.00 0.00 N ATOM 0 H LYS A 63 -8.381 -8.071 11.056 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.212 -5.653 9.960 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.243 -5.308 12.224 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.672 -6.783 11.381 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.324 -7.404 12.881 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.342 -6.468 13.958 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.261 -7.993 13.488 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.265 -8.918 12.382 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.746 -8.784 14.772 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.392 -9.053 15.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.264 -11.132 14.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.553 -10.929 13.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.957 -10.669 13.264 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.831 -3.785 10.642 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.956 -2.667 10.952 1.00 0.00 C ATOM 1020 C GLU A 64 -5.490 -3.100 10.864 1.00 0.00 C ATOM 1021 O GLU A 64 -4.726 -2.913 11.809 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.274 -2.088 12.333 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.781 -1.901 12.515 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.126 -1.628 13.981 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -9.361 -2.622 14.702 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -9.147 -0.433 14.345 1.00 0.00 O ATOM 0 H GLU A 64 -8.500 -3.608 9.893 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.128 -1.881 10.216 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.890 -2.753 13.107 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.768 -1.130 12.455 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.126 -1.073 11.896 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.306 -2.794 12.174 1.00 0.00 H new ATOM 1033 N SER A 65 -5.144 -3.671 9.720 1.00 0.00 N ATOM 1034 CA SER A 65 -3.784 -4.132 9.495 1.00 0.00 C ATOM 1035 C SER A 65 -2.862 -2.938 9.242 1.00 0.00 C ATOM 1036 O SER A 65 -3.331 -1.822 9.024 1.00 0.00 O ATOM 1037 CB SER A 65 -3.721 -5.110 8.321 1.00 0.00 C ATOM 1038 OG SER A 65 -4.142 -6.419 8.693 1.00 0.00 O ATOM 0 H SER A 65 -5.781 -3.825 8.939 1.00 0.00 H new ATOM 0 HA SER A 65 -3.449 -4.658 10.389 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.350 -4.744 7.510 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.701 -5.152 7.939 1.00 0.00 H new ATOM 0 HG SER A 65 -3.421 -6.868 9.181 1.00 0.00 H new ATOM 1044 N THR A 66 -1.567 -3.214 9.277 1.00 0.00 N ATOM 1045 CA THR A 66 -0.574 -2.176 9.053 1.00 0.00 C ATOM 1046 C THR A 66 0.062 -2.336 7.672 1.00 0.00 C ATOM 1047 O THR A 66 0.920 -3.195 7.475 1.00 0.00 O ATOM 1048 CB THR A 66 0.437 -2.234 10.200 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.221 -1.573 11.278 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.674 -1.373 9.934 1.00 0.00 C ATOM 0 H THR A 66 -1.182 -4.141 9.457 1.00 0.00 H new ATOM 0 HA THR A 66 -1.029 -1.186 9.053 1.00 0.00 H new ATOM 0 HB THR A 66 0.742 -3.268 10.362 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.364 -1.567 12.064 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.359 -1.450 10.778 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.172 -1.722 9.029 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.373 -0.333 9.805 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.380 -1.494 6.750 1.00 0.00 N ATOM 1059 CA LEU A 67 0.135 -1.531 5.392 1.00 0.00 C ATOM 1060 C LEU A 67 1.005 -0.296 5.148 1.00 0.00 C ATOM 1061 O LEU A 67 0.761 0.763 5.724 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.008 -1.687 4.388 1.00 0.00 C ATOM 1063 CG LEU A 67 -1.842 -2.964 4.513 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -2.848 -2.850 5.660 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.522 -3.307 3.187 1.00 0.00 C ATOM 0 H LEU A 67 -1.090 -0.781 6.917 1.00 0.00 H new ATOM 0 HA LEU A 67 0.772 -2.404 5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.674 -0.830 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.590 -1.647 3.382 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.171 -3.789 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.428 -3.770 5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.315 -2.687 6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.519 -2.011 5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.108 -4.219 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.179 -2.489 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.764 -3.459 2.418 1.00 0.00 H new ATOM 1077 N HIS A 68 2.000 -0.472 4.292 1.00 0.00 N ATOM 1078 CA HIS A 68 2.908 0.615 3.964 1.00 0.00 C ATOM 1079 C HIS A 68 2.620 1.113 2.547 1.00 0.00 C ATOM 1080 O HIS A 68 2.838 0.392 1.575 1.00 0.00 O ATOM 1081 CB HIS A 68 4.363 0.184 4.157 1.00 0.00 C ATOM 1082 CG HIS A 68 5.101 0.972 5.214 1.00 0.00 C ATOM 1083 ND1 HIS A 68 5.039 0.662 6.561 1.00 0.00 N ATOM 1084 CD2 HIS A 68 5.918 2.059 5.106 1.00 0.00 C ATOM 1085 CE1 HIS A 68 5.787 1.529 7.225 1.00 0.00 C ATOM 1086 NE2 HIS A 68 6.331 2.395 6.322 1.00 0.00 N ATOM 0 H HIS A 68 2.198 -1.351 3.815 1.00 0.00 H new ATOM 0 HA HIS A 68 2.744 1.450 4.646 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.386 -0.873 4.424 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.890 0.285 3.208 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.184 2.561 4.187 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.940 1.548 8.294 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.953 3.172 6.545 1.00 0.00 H new ATOM 1094 N LEU A 69 2.133 2.343 2.474 1.00 0.00 N ATOM 1095 CA LEU A 69 1.813 2.947 1.192 1.00 0.00 C ATOM 1096 C LEU A 69 2.969 3.847 0.754 1.00 0.00 C ATOM 1097 O LEU A 69 3.048 5.005 1.161 1.00 0.00 O ATOM 1098 CB LEU A 69 0.465 3.667 1.261 1.00 0.00 C ATOM 1099 CG LEU A 69 0.230 4.754 0.209 1.00 0.00 C ATOM 1100 CD1 LEU A 69 -0.068 4.138 -1.160 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -0.869 5.721 0.654 1.00 0.00 C ATOM 0 H LEU A 69 1.952 2.938 3.283 1.00 0.00 H new ATOM 0 HA LEU A 69 1.700 2.179 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.327 2.923 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.366 4.118 2.249 1.00 0.00 H new ATOM 0 HG LEU A 69 1.147 5.334 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.231 4.932 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.776 3.525 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.962 3.518 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.015 6.483 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.799 5.172 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.577 6.198 1.589 1.00 0.00 H new ATOM 1113 N VAL A 70 3.838 3.281 -0.071 1.00 0.00 N ATOM 1114 CA VAL A 70 4.987 4.018 -0.568 1.00 0.00 C ATOM 1115 C VAL A 70 4.846 4.214 -2.080 1.00 0.00 C ATOM 1116 O VAL A 70 3.898 3.719 -2.688 1.00 0.00 O ATOM 1117 CB VAL A 70 6.279 3.300 -0.177 1.00 0.00 C ATOM 1118 CG1 VAL A 70 6.503 2.061 -1.047 1.00 0.00 C ATOM 1119 CG2 VAL A 70 7.479 4.247 -0.253 1.00 0.00 C ATOM 0 H VAL A 70 3.769 2.321 -0.408 1.00 0.00 H new ATOM 0 HA VAL A 70 5.031 5.008 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 70 6.178 2.970 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.429 1.569 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.668 1.372 -0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.572 2.359 -2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.385 3.710 0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.583 4.622 -1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.326 5.084 0.428 1.00 0.00 H new