USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 551 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 56 HIS : no HE2:sc= -21.5! C(o=-26!,f=-23!) USER MOD Set 1.2: A 58 TYR OH : rot 15:sc= -4.31 USER MOD Set 2.1: A 14 HIS : no HD1:sc= -2.06! C(o=-2.5!,f=-4.1!) USER MOD Set 2.2: A 21 GLN : amide:sc= -0.403 K(o=-2.5,f=-11!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 34:sc= 1.09 USER MOD Single : A 26 HIS : no HE2:sc= -14.7! C(o=-15!,f=-17!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -112:sc= 0.249 USER MOD Single : A 44 SER OG : rot -7:sc= 0.313! USER MOD Single : A 55 SER OG : rot -160:sc= -0.602 USER MOD Single : A 64 TYR OH : rot 165:sc= -1.26 USER MOD Single : A 65 HIS : no HD1:sc= -2.38! K(o=-2.4!,f=-1.1) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.925 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 140:sc= -0.99 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -4.371 10.007 -9.202 1.00 0.00 N ATOM 2 CA ALA A 8 -3.737 9.551 -10.470 1.00 0.00 C ATOM 3 C ALA A 8 -4.386 8.239 -10.913 1.00 0.00 C ATOM 4 O ALA A 8 -5.007 7.550 -10.131 1.00 0.00 O ATOM 5 CB ALA A 8 -2.233 9.354 -10.243 1.00 0.00 C ATOM 0 HA ALA A 8 -3.880 10.299 -11.250 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.766 9.020 -11.169 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.786 10.298 -9.930 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.077 8.604 -9.467 1.00 0.00 H new ATOM 11 N THR A 9 -4.257 7.895 -12.164 1.00 0.00 N ATOM 12 CA THR A 9 -4.875 6.639 -12.657 1.00 0.00 C ATOM 13 C THR A 9 -4.076 5.452 -12.141 1.00 0.00 C ATOM 14 O THR A 9 -2.879 5.542 -11.919 1.00 0.00 O ATOM 15 CB THR A 9 -4.905 6.631 -14.186 1.00 0.00 C ATOM 16 OG1 THR A 9 -6.012 5.861 -14.634 1.00 0.00 O ATOM 17 CG2 THR A 9 -3.613 6.027 -14.733 1.00 0.00 C ATOM 0 H THR A 9 -3.748 8.433 -12.866 1.00 0.00 H new ATOM 0 HA THR A 9 -5.900 6.572 -12.292 1.00 0.00 H new ATOM 0 HB THR A 9 -5.000 7.656 -14.545 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.033 5.857 -15.614 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.645 6.026 -15.823 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.763 6.620 -14.395 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.508 5.004 -14.372 1.00 0.00 H new ATOM 25 N LEU A 10 -4.752 4.358 -11.932 1.00 0.00 N ATOM 26 CA LEU A 10 -4.106 3.131 -11.393 1.00 0.00 C ATOM 27 C LEU A 10 -3.617 2.244 -12.535 1.00 0.00 C ATOM 28 O LEU A 10 -4.395 1.552 -13.162 1.00 0.00 O ATOM 29 CB LEU A 10 -5.150 2.341 -10.591 1.00 0.00 C ATOM 30 CG LEU A 10 -5.627 3.147 -9.379 1.00 0.00 C ATOM 31 CD1 LEU A 10 -6.502 4.326 -9.820 1.00 0.00 C ATOM 32 CD2 LEU A 10 -6.446 2.239 -8.462 1.00 0.00 C ATOM 0 H LEU A 10 -5.750 4.262 -12.117 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.261 3.419 -10.767 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.999 2.099 -11.230 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.721 1.395 -10.259 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.754 3.533 -8.853 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.829 4.884 -8.943 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.927 4.982 -10.473 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.373 3.952 -10.358 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.788 2.808 -7.598 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.308 1.854 -9.007 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.827 1.407 -8.127 1.00 0.00 H new ATOM 44 N VAL A 11 -2.340 2.225 -12.804 1.00 0.00 N ATOM 45 CA VAL A 11 -1.844 1.344 -13.892 1.00 0.00 C ATOM 46 C VAL A 11 -0.901 0.306 -13.292 1.00 0.00 C ATOM 47 O VAL A 11 0.219 0.607 -12.936 1.00 0.00 O ATOM 48 CB VAL A 11 -1.110 2.166 -14.936 1.00 0.00 C ATOM 49 CG1 VAL A 11 -1.000 1.349 -16.228 1.00 0.00 C ATOM 50 CG2 VAL A 11 -1.898 3.449 -15.212 1.00 0.00 C ATOM 0 H VAL A 11 -1.628 2.775 -12.323 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.686 0.846 -14.373 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.113 2.420 -14.575 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.474 1.932 -16.984 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.449 0.429 -16.031 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.999 1.104 -16.589 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.375 4.043 -15.961 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.892 3.194 -15.580 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.989 4.025 -14.291 1.00 0.00 H new ATOM 60 N GLY A 12 -1.343 -0.916 -13.169 1.00 0.00 N ATOM 61 CA GLY A 12 -0.468 -1.972 -12.584 1.00 0.00 C ATOM 62 C GLY A 12 -0.240 -3.078 -13.619 1.00 0.00 C ATOM 63 O GLY A 12 -0.803 -4.150 -13.511 1.00 0.00 O ATOM 0 H GLY A 12 -2.273 -1.229 -13.448 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.486 -1.541 -12.280 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.930 -2.387 -11.688 1.00 0.00 H new ATOM 67 N PRO A 13 0.579 -2.778 -14.596 1.00 0.00 N ATOM 68 CA PRO A 13 0.907 -3.723 -15.682 1.00 0.00 C ATOM 69 C PRO A 13 1.833 -4.850 -15.203 1.00 0.00 C ATOM 70 O PRO A 13 2.616 -4.696 -14.279 1.00 0.00 O ATOM 71 CB PRO A 13 1.613 -2.848 -16.720 1.00 0.00 C ATOM 72 CG PRO A 13 2.147 -1.618 -15.954 1.00 0.00 C ATOM 73 CD PRO A 13 1.254 -1.468 -14.712 1.00 0.00 C ATOM 0 HA PRO A 13 0.021 -4.225 -16.070 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.427 -3.392 -17.199 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.924 -2.546 -17.509 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.190 -1.759 -15.669 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.104 -0.723 -16.575 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.842 -1.242 -13.823 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.535 -0.658 -14.833 1.00 0.00 H new ATOM 81 N HIS A 14 1.739 -5.981 -15.856 1.00 0.00 N ATOM 82 CA HIS A 14 2.585 -7.159 -15.505 1.00 0.00 C ATOM 83 C HIS A 14 1.983 -8.409 -16.141 1.00 0.00 C ATOM 84 O HIS A 14 2.681 -9.292 -16.598 1.00 0.00 O ATOM 85 CB HIS A 14 2.631 -7.358 -13.989 1.00 0.00 C ATOM 86 CG HIS A 14 3.264 -8.686 -13.686 1.00 0.00 C ATOM 87 ND1 HIS A 14 2.527 -9.782 -13.269 1.00 0.00 N ATOM 88 CD2 HIS A 14 4.568 -9.111 -13.745 1.00 0.00 C ATOM 89 CE1 HIS A 14 3.385 -10.803 -13.094 1.00 0.00 C ATOM 90 NE2 HIS A 14 4.642 -10.448 -13.370 1.00 0.00 N ATOM 0 H HIS A 14 1.098 -6.139 -16.633 1.00 0.00 H new ATOM 0 HA HIS A 14 3.596 -6.986 -15.873 1.00 0.00 H new ATOM 0 HB2 HIS A 14 3.201 -6.555 -13.522 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.624 -7.318 -13.574 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.409 -8.500 -14.038 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.092 -11.791 -12.769 1.00 0.00 H new ATOM 0 HE2 HIS A 14 5.477 -11.032 -13.317 1.00 0.00 H new ATOM 98 N GLY A 15 0.689 -8.484 -16.154 1.00 0.00 N ATOM 99 CA GLY A 15 0.002 -9.670 -16.737 1.00 0.00 C ATOM 100 C GLY A 15 -0.689 -10.429 -15.605 1.00 0.00 C ATOM 101 O GLY A 15 -1.292 -9.825 -14.740 1.00 0.00 O ATOM 0 H GLY A 15 0.066 -7.767 -15.782 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.727 -9.357 -17.485 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.721 -10.315 -17.243 1.00 0.00 H new ATOM 105 N PRO A 16 -0.568 -11.727 -15.629 1.00 0.00 N ATOM 106 CA PRO A 16 -1.161 -12.589 -14.597 1.00 0.00 C ATOM 107 C PRO A 16 -0.291 -12.548 -13.342 1.00 0.00 C ATOM 108 O PRO A 16 0.908 -12.373 -13.418 1.00 0.00 O ATOM 109 CB PRO A 16 -1.144 -13.979 -15.230 1.00 0.00 C ATOM 110 CG PRO A 16 -0.051 -13.942 -16.327 1.00 0.00 C ATOM 111 CD PRO A 16 0.167 -12.458 -16.680 1.00 0.00 C ATOM 0 HA PRO A 16 -2.164 -12.287 -14.296 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.922 -14.743 -14.485 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.116 -14.224 -15.658 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.873 -14.395 -15.969 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.364 -14.507 -17.205 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.226 -12.199 -16.679 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.218 -12.223 -17.672 1.00 0.00 H new ATOM 119 N LEU A 17 -0.875 -12.698 -12.190 1.00 0.00 N ATOM 120 CA LEU A 17 -0.063 -12.654 -10.944 1.00 0.00 C ATOM 121 C LEU A 17 -0.208 -13.965 -10.177 1.00 0.00 C ATOM 122 O LEU A 17 -1.106 -14.135 -9.380 1.00 0.00 O ATOM 123 CB LEU A 17 -0.536 -11.493 -10.066 1.00 0.00 C ATOM 124 CG LEU A 17 0.102 -10.192 -10.555 1.00 0.00 C ATOM 125 CD1 LEU A 17 -0.610 -9.000 -9.914 1.00 0.00 C ATOM 126 CD2 LEU A 17 1.582 -10.174 -10.163 1.00 0.00 C ATOM 0 H LEU A 17 -1.875 -12.849 -12.056 1.00 0.00 H new ATOM 0 HA LEU A 17 0.985 -12.510 -11.208 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.623 -11.414 -10.103 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.265 -11.675 -9.026 1.00 0.00 H new ATOM 0 HG LEU A 17 0.011 -10.127 -11.639 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.154 -8.073 -10.263 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.664 -9.013 -10.192 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.520 -9.062 -8.830 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.039 -9.248 -10.510 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.672 -10.239 -9.079 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.090 -11.023 -10.620 1.00 0.00 H new ATOM 138 N ALA A 18 0.680 -14.889 -10.402 1.00 0.00 N ATOM 139 CA ALA A 18 0.603 -16.179 -9.670 1.00 0.00 C ATOM 140 C ALA A 18 1.358 -16.035 -8.350 1.00 0.00 C ATOM 141 O ALA A 18 2.117 -15.104 -8.163 1.00 0.00 O ATOM 142 CB ALA A 18 1.239 -17.289 -10.510 1.00 0.00 C ATOM 0 H ALA A 18 1.455 -14.807 -11.060 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.439 -16.436 -9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.180 -18.234 -9.969 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.707 -17.379 -11.457 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.284 -17.046 -10.703 1.00 0.00 H new ATOM 148 N SER A 19 1.143 -16.935 -7.432 1.00 0.00 N ATOM 149 CA SER A 19 1.836 -16.850 -6.113 1.00 0.00 C ATOM 150 C SER A 19 3.340 -16.652 -6.321 1.00 0.00 C ATOM 151 O SER A 19 4.006 -17.459 -6.938 1.00 0.00 O ATOM 152 CB SER A 19 1.599 -18.145 -5.335 1.00 0.00 C ATOM 153 OG SER A 19 2.316 -18.096 -4.109 1.00 0.00 O ATOM 0 H SER A 19 0.514 -17.731 -7.538 1.00 0.00 H new ATOM 0 HA SER A 19 1.439 -16.003 -5.554 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.534 -18.277 -5.142 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.924 -19.002 -5.925 1.00 0.00 H new ATOM 0 HG SER A 19 2.331 -17.175 -3.776 1.00 0.00 H new ATOM 159 N GLY A 20 3.878 -15.582 -5.800 1.00 0.00 N ATOM 160 CA GLY A 20 5.337 -15.325 -5.954 1.00 0.00 C ATOM 161 C GLY A 20 5.597 -14.550 -7.247 1.00 0.00 C ATOM 162 O GLY A 20 6.468 -14.895 -8.020 1.00 0.00 O ATOM 0 H GLY A 20 3.367 -14.873 -5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.707 -14.758 -5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.881 -16.269 -5.970 1.00 0.00 H new ATOM 166 N GLN A 21 4.849 -13.507 -7.491 1.00 0.00 N ATOM 167 CA GLN A 21 5.065 -12.723 -8.742 1.00 0.00 C ATOM 168 C GLN A 21 5.370 -11.256 -8.423 1.00 0.00 C ATOM 169 O GLN A 21 4.901 -10.701 -7.443 1.00 0.00 O ATOM 170 CB GLN A 21 3.811 -12.791 -9.613 1.00 0.00 C ATOM 171 CG GLN A 21 4.004 -13.837 -10.713 1.00 0.00 C ATOM 172 CD GLN A 21 5.121 -13.392 -11.660 1.00 0.00 C ATOM 173 OE1 GLN A 21 5.684 -12.329 -11.503 1.00 0.00 O ATOM 174 NE2 GLN A 21 5.465 -14.168 -12.651 1.00 0.00 N ATOM 0 H GLN A 21 4.104 -13.166 -6.884 1.00 0.00 H new ATOM 0 HA GLN A 21 5.915 -13.153 -9.271 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.945 -13.047 -9.002 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.611 -11.816 -10.056 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.252 -14.802 -10.271 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.075 -13.970 -11.268 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.994 -15.062 -12.786 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.205 -13.880 -13.291 1.00 0.00 H new ATOM 183 N LEU A 22 6.145 -10.627 -9.268 1.00 0.00 N ATOM 184 CA LEU A 22 6.496 -9.193 -9.070 1.00 0.00 C ATOM 185 C LEU A 22 5.762 -8.363 -10.123 1.00 0.00 C ATOM 186 O LEU A 22 6.201 -8.247 -11.250 1.00 0.00 O ATOM 187 CB LEU A 22 8.012 -9.016 -9.249 1.00 0.00 C ATOM 188 CG LEU A 22 8.477 -7.642 -8.732 1.00 0.00 C ATOM 189 CD1 LEU A 22 7.908 -6.516 -9.605 1.00 0.00 C ATOM 190 CD2 LEU A 22 8.009 -7.444 -7.290 1.00 0.00 C ATOM 0 H LEU A 22 6.555 -11.055 -10.099 1.00 0.00 H new ATOM 0 HA LEU A 22 6.208 -8.869 -8.070 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.539 -9.806 -8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.271 -9.118 -10.303 1.00 0.00 H new ATOM 0 HG LEU A 22 9.566 -7.610 -8.775 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.248 -5.553 -9.224 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.253 -6.642 -10.631 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.819 -6.552 -9.581 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.341 -6.470 -6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.921 -7.494 -7.251 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.431 -8.227 -6.660 1.00 0.00 H new ATOM 202 N ALA A 23 4.656 -7.771 -9.770 1.00 0.00 N ATOM 203 CA ALA A 23 3.923 -6.939 -10.762 1.00 0.00 C ATOM 204 C ALA A 23 4.584 -5.564 -10.801 1.00 0.00 C ATOM 205 O ALA A 23 5.192 -5.147 -9.844 1.00 0.00 O ATOM 206 CB ALA A 23 2.458 -6.793 -10.340 1.00 0.00 C ATOM 0 H ALA A 23 4.231 -7.827 -8.845 1.00 0.00 H new ATOM 0 HA ALA A 23 3.956 -7.408 -11.745 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.928 -6.183 -11.071 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.995 -7.778 -10.286 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.407 -6.314 -9.362 1.00 0.00 H new ATOM 212 N ALA A 24 4.479 -4.848 -11.883 1.00 0.00 N ATOM 213 CA ALA A 24 5.118 -3.507 -11.920 1.00 0.00 C ATOM 214 C ALA A 24 4.020 -2.468 -12.101 1.00 0.00 C ATOM 215 O ALA A 24 3.247 -2.529 -13.027 1.00 0.00 O ATOM 216 CB ALA A 24 6.128 -3.457 -13.063 1.00 0.00 C ATOM 0 H ALA A 24 3.986 -5.128 -12.731 1.00 0.00 H new ATOM 0 HA ALA A 24 5.655 -3.301 -10.994 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.597 -2.474 -13.091 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.892 -4.219 -12.907 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.617 -3.642 -14.008 1.00 0.00 H new ATOM 222 N PHE A 25 3.910 -1.552 -11.184 1.00 0.00 N ATOM 223 CA PHE A 25 2.816 -0.547 -11.258 1.00 0.00 C ATOM 224 C PHE A 25 3.328 0.843 -11.631 1.00 0.00 C ATOM 225 O PHE A 25 4.512 1.110 -11.678 1.00 0.00 O ATOM 226 CB PHE A 25 2.176 -0.426 -9.876 1.00 0.00 C ATOM 227 CG PHE A 25 1.327 -1.628 -9.554 1.00 0.00 C ATOM 228 CD1 PHE A 25 1.885 -2.915 -9.529 1.00 0.00 C ATOM 229 CD2 PHE A 25 -0.027 -1.442 -9.255 1.00 0.00 C ATOM 230 CE1 PHE A 25 1.079 -4.014 -9.208 1.00 0.00 C ATOM 231 CE2 PHE A 25 -0.830 -2.542 -8.936 1.00 0.00 C ATOM 232 CZ PHE A 25 -0.277 -3.827 -8.913 1.00 0.00 C ATOM 0 H PHE A 25 4.533 -1.455 -10.382 1.00 0.00 H new ATOM 0 HA PHE A 25 2.115 -0.884 -12.022 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.955 -0.317 -9.121 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.564 0.475 -9.835 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.931 -3.057 -9.756 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.452 -0.449 -9.270 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.504 -5.007 -9.188 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.876 -2.400 -8.708 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.897 -4.676 -8.667 1.00 0.00 H new ATOM 242 N HIS A 26 2.400 1.737 -11.841 1.00 0.00 N ATOM 243 CA HIS A 26 2.724 3.150 -12.154 1.00 0.00 C ATOM 244 C HIS A 26 1.407 3.937 -12.116 1.00 0.00 C ATOM 245 O HIS A 26 0.351 3.427 -12.462 1.00 0.00 O ATOM 246 CB HIS A 26 3.434 3.274 -13.515 1.00 0.00 C ATOM 247 CG HIS A 26 2.459 3.283 -14.660 1.00 0.00 C ATOM 248 ND1 HIS A 26 1.568 4.323 -14.878 1.00 0.00 N ATOM 249 CD2 HIS A 26 2.266 2.403 -15.694 1.00 0.00 C ATOM 250 CE1 HIS A 26 0.888 4.043 -16.003 1.00 0.00 C ATOM 251 NE2 HIS A 26 1.278 2.886 -16.542 1.00 0.00 N ATOM 0 H HIS A 26 1.401 1.535 -11.806 1.00 0.00 H new ATOM 0 HA HIS A 26 3.421 3.557 -11.421 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.024 4.190 -13.534 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.130 2.444 -13.638 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.450 5.149 -14.292 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.801 1.475 -15.828 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.120 4.677 -16.420 1.00 0.00 H new ATOM 259 N ILE A 27 1.448 5.156 -11.664 1.00 0.00 N ATOM 260 CA ILE A 27 0.197 5.962 -11.572 1.00 0.00 C ATOM 261 C ILE A 27 0.236 7.046 -12.649 1.00 0.00 C ATOM 262 O ILE A 27 1.291 7.380 -13.150 1.00 0.00 O ATOM 263 CB ILE A 27 0.089 6.600 -10.177 1.00 0.00 C ATOM 264 CG1 ILE A 27 0.960 5.841 -9.165 1.00 0.00 C ATOM 265 CG2 ILE A 27 -1.360 6.539 -9.700 1.00 0.00 C ATOM 266 CD1 ILE A 27 0.087 4.850 -8.391 1.00 0.00 C ATOM 0 H ILE A 27 2.294 5.633 -11.353 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.673 5.323 -11.726 1.00 0.00 H new ATOM 0 HB ILE A 27 0.428 7.633 -10.247 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.761 5.312 -9.682 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.433 6.542 -8.477 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.437 6.991 -8.711 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.996 7.083 -10.398 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.683 5.499 -9.650 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.701 4.309 -7.671 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.698 5.392 -7.863 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.365 4.143 -9.087 1.00 0.00 H new ATOM 278 N ALA A 28 -0.891 7.583 -13.043 1.00 0.00 N ATOM 279 CA ALA A 28 -0.848 8.622 -14.126 1.00 0.00 C ATOM 280 C ALA A 28 -1.764 9.819 -13.833 1.00 0.00 C ATOM 281 O ALA A 28 -2.959 9.680 -13.698 1.00 0.00 O ATOM 282 CB ALA A 28 -1.298 7.985 -15.436 1.00 0.00 C ATOM 0 H ALA A 28 -1.816 7.358 -12.677 1.00 0.00 H new ATOM 0 HA ALA A 28 0.176 8.990 -14.185 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.271 8.730 -16.231 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.630 7.161 -15.688 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.315 7.608 -15.327 1.00 0.00 H new ATOM 288 N ALA A 29 -1.210 11.005 -13.792 1.00 0.00 N ATOM 289 CA ALA A 29 -2.040 12.230 -13.563 1.00 0.00 C ATOM 290 C ALA A 29 -1.122 13.444 -13.364 1.00 0.00 C ATOM 291 O ALA A 29 -1.075 14.319 -14.209 1.00 0.00 O ATOM 292 CB ALA A 29 -2.944 12.051 -12.342 1.00 0.00 C ATOM 0 H ALA A 29 -0.212 11.179 -13.908 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.672 12.392 -14.436 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.538 12.953 -12.194 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.608 11.201 -12.502 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.331 11.871 -11.459 1.00 0.00 H new ATOM 298 N PRO A 30 -0.403 13.468 -12.266 1.00 0.00 N ATOM 299 CA PRO A 30 0.523 14.572 -11.971 1.00 0.00 C ATOM 300 C PRO A 30 1.783 14.416 -12.818 1.00 0.00 C ATOM 301 O PRO A 30 2.796 13.951 -12.354 1.00 0.00 O ATOM 302 CB PRO A 30 0.827 14.403 -10.482 1.00 0.00 C ATOM 303 CG PRO A 30 0.523 12.929 -10.141 1.00 0.00 C ATOM 304 CD PRO A 30 -0.432 12.414 -11.230 1.00 0.00 C ATOM 0 HA PRO A 30 0.118 15.559 -12.195 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.868 14.645 -10.268 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.214 15.075 -9.882 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.440 12.339 -10.119 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.067 12.846 -9.155 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.101 11.455 -11.628 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.439 12.267 -10.840 1.00 0.00 H new ATOM 312 N LEU A 31 1.701 14.784 -14.068 1.00 0.00 N ATOM 313 CA LEU A 31 2.869 14.653 -14.999 1.00 0.00 C ATOM 314 C LEU A 31 4.217 14.845 -14.277 1.00 0.00 C ATOM 315 O LEU A 31 5.076 13.990 -14.366 1.00 0.00 O ATOM 316 CB LEU A 31 2.735 15.685 -16.122 1.00 0.00 C ATOM 317 CG LEU A 31 2.306 14.981 -17.411 1.00 0.00 C ATOM 318 CD1 LEU A 31 0.934 14.331 -17.208 1.00 0.00 C ATOM 319 CD2 LEU A 31 2.221 16.005 -18.543 1.00 0.00 C ATOM 0 H LEU A 31 0.862 15.177 -14.494 1.00 0.00 H new ATOM 0 HA LEU A 31 2.860 13.642 -15.405 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.002 16.444 -15.848 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.684 16.199 -16.274 1.00 0.00 H new ATOM 0 HG LEU A 31 3.036 14.213 -17.666 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.629 13.830 -18.127 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.993 13.602 -16.399 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.202 15.098 -16.953 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.916 15.506 -19.463 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.490 16.772 -18.286 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.197 16.468 -18.688 1.00 0.00 H new ATOM 331 N PRO A 32 4.379 15.956 -13.597 1.00 0.00 N ATOM 332 CA PRO A 32 5.631 16.263 -12.875 1.00 0.00 C ATOM 333 C PRO A 32 5.709 15.535 -11.521 1.00 0.00 C ATOM 334 O PRO A 32 5.809 16.161 -10.485 1.00 0.00 O ATOM 335 CB PRO A 32 5.551 17.778 -12.662 1.00 0.00 C ATOM 336 CG PRO A 32 4.053 18.156 -12.743 1.00 0.00 C ATOM 337 CD PRO A 32 3.347 17.008 -13.489 1.00 0.00 C ATOM 0 HA PRO A 32 6.515 15.942 -13.427 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.969 18.056 -11.695 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.126 18.307 -13.422 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.632 18.286 -11.746 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.920 19.100 -13.271 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.474 16.654 -12.941 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.999 17.326 -14.472 1.00 0.00 H new ATOM 345 N VAL A 33 5.687 14.225 -11.510 1.00 0.00 N ATOM 346 CA VAL A 33 5.778 13.498 -10.206 1.00 0.00 C ATOM 347 C VAL A 33 7.244 13.351 -9.799 1.00 0.00 C ATOM 348 O VAL A 33 8.124 13.240 -10.629 1.00 0.00 O ATOM 349 CB VAL A 33 5.169 12.097 -10.320 1.00 0.00 C ATOM 350 CG1 VAL A 33 5.378 11.355 -9.000 1.00 0.00 C ATOM 351 CG2 VAL A 33 3.673 12.201 -10.591 1.00 0.00 C ATOM 0 H VAL A 33 5.611 13.633 -12.337 1.00 0.00 H new ATOM 0 HA VAL A 33 5.229 14.073 -9.460 1.00 0.00 H new ATOM 0 HB VAL A 33 5.651 11.562 -11.138 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.947 10.356 -9.072 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.445 11.276 -8.792 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.891 11.903 -8.194 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.247 11.201 -10.671 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.191 12.736 -9.773 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.509 12.741 -11.524 1.00 0.00 H new ATOM 361 N THR A 34 7.508 13.335 -8.523 1.00 0.00 N ATOM 362 CA THR A 34 8.911 13.178 -8.044 1.00 0.00 C ATOM 363 C THR A 34 9.010 11.951 -7.142 1.00 0.00 C ATOM 364 O THR A 34 9.990 11.233 -7.152 1.00 0.00 O ATOM 365 CB THR A 34 9.325 14.427 -7.264 1.00 0.00 C ATOM 366 OG1 THR A 34 8.348 14.706 -6.272 1.00 0.00 O ATOM 367 CG2 THR A 34 9.435 15.614 -8.222 1.00 0.00 C ATOM 0 H THR A 34 6.809 13.424 -7.786 1.00 0.00 H new ATOM 0 HA THR A 34 9.575 13.049 -8.899 1.00 0.00 H new ATOM 0 HB THR A 34 10.290 14.257 -6.787 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.611 15.505 -5.769 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.730 16.504 -7.666 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.183 15.398 -8.985 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.470 15.787 -8.699 1.00 0.00 H new ATOM 375 N ALA A 35 8.000 11.708 -6.367 1.00 0.00 N ATOM 376 CA ALA A 35 8.014 10.530 -5.461 1.00 0.00 C ATOM 377 C ALA A 35 6.578 10.100 -5.172 1.00 0.00 C ATOM 378 O ALA A 35 5.709 10.911 -4.910 1.00 0.00 O ATOM 379 CB ALA A 35 8.707 10.904 -4.151 1.00 0.00 C ATOM 0 H ALA A 35 7.156 12.279 -6.320 1.00 0.00 H new ATOM 0 HA ALA A 35 8.553 9.710 -5.935 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.718 10.041 -3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.731 11.216 -4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.167 11.722 -3.675 1.00 0.00 H new ATOM 385 N THR A 36 6.329 8.824 -5.209 1.00 0.00 N ATOM 386 CA THR A 36 4.958 8.313 -4.929 1.00 0.00 C ATOM 387 C THR A 36 5.044 7.313 -3.784 1.00 0.00 C ATOM 388 O THR A 36 5.955 6.514 -3.721 1.00 0.00 O ATOM 389 CB THR A 36 4.405 7.598 -6.160 1.00 0.00 C ATOM 390 OG1 THR A 36 3.256 6.847 -5.790 1.00 0.00 O ATOM 391 CG2 THR A 36 5.470 6.659 -6.720 1.00 0.00 C ATOM 0 H THR A 36 7.021 8.106 -5.423 1.00 0.00 H new ATOM 0 HA THR A 36 4.303 9.146 -4.671 1.00 0.00 H new ATOM 0 HB THR A 36 4.132 8.331 -6.919 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.453 5.890 -5.863 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.078 6.147 -7.599 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.352 7.235 -6.999 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.741 5.923 -5.963 1.00 0.00 H new ATOM 399 N ARG A 37 4.107 7.331 -2.888 1.00 0.00 N ATOM 400 CA ARG A 37 4.158 6.358 -1.772 1.00 0.00 C ATOM 401 C ARG A 37 3.073 5.308 -1.985 1.00 0.00 C ATOM 402 O ARG A 37 1.904 5.562 -1.793 1.00 0.00 O ATOM 403 CB ARG A 37 3.938 7.072 -0.439 1.00 0.00 C ATOM 404 CG ARG A 37 5.113 6.777 0.495 1.00 0.00 C ATOM 405 CD ARG A 37 5.356 7.979 1.407 1.00 0.00 C ATOM 406 NE ARG A 37 4.733 7.727 2.735 1.00 0.00 N ATOM 407 CZ ARG A 37 5.453 7.808 3.820 1.00 0.00 C ATOM 408 NH1 ARG A 37 6.219 6.811 4.171 1.00 0.00 N ATOM 409 NH2 ARG A 37 5.407 8.886 4.554 1.00 0.00 N ATOM 0 H ARG A 37 3.313 7.972 -2.879 1.00 0.00 H new ATOM 0 HA ARG A 37 5.137 5.879 -1.749 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.848 8.146 -0.600 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.005 6.738 0.015 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.902 5.891 1.093 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.009 6.562 -0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.426 8.151 1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.934 8.879 0.960 1.00 0.00 H new ATOM 0 HE ARG A 37 3.743 7.491 2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.255 5.969 3.597 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.782 6.874 5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.808 9.665 4.279 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.970 8.950 5.402 1.00 0.00 H new ATOM 423 N TRP A 38 3.453 4.127 -2.375 1.00 0.00 N ATOM 424 CA TRP A 38 2.439 3.062 -2.596 1.00 0.00 C ATOM 425 C TRP A 38 2.215 2.311 -1.295 1.00 0.00 C ATOM 426 O TRP A 38 2.847 2.565 -0.287 1.00 0.00 O ATOM 427 CB TRP A 38 2.933 2.039 -3.621 1.00 0.00 C ATOM 428 CG TRP A 38 3.198 2.665 -4.943 1.00 0.00 C ATOM 429 CD1 TRP A 38 4.181 3.552 -5.210 1.00 0.00 C ATOM 430 CD2 TRP A 38 2.498 2.434 -6.195 1.00 0.00 C ATOM 431 NE1 TRP A 38 4.133 3.870 -6.555 1.00 0.00 N ATOM 432 CE2 TRP A 38 3.112 3.210 -7.202 1.00 0.00 C ATOM 433 CE3 TRP A 38 1.403 1.631 -6.549 1.00 0.00 C ATOM 434 CZ2 TRP A 38 2.656 3.191 -8.517 1.00 0.00 C ATOM 435 CZ3 TRP A 38 0.937 1.611 -7.869 1.00 0.00 C ATOM 436 CH2 TRP A 38 1.565 2.389 -8.853 1.00 0.00 C ATOM 0 H TRP A 38 4.420 3.852 -2.550 1.00 0.00 H new ATOM 0 HA TRP A 38 1.526 3.538 -2.953 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.844 1.567 -3.253 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.189 1.250 -3.735 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.886 3.947 -4.493 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.776 4.516 -7.013 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.917 1.025 -5.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.143 3.792 -9.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.090 0.994 -8.131 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.204 2.367 -9.871 1.00 0.00 H new ATOM 447 N ASP A 39 1.347 1.357 -1.336 1.00 0.00 N ATOM 448 CA ASP A 39 1.085 0.520 -0.149 1.00 0.00 C ATOM 449 C ASP A 39 0.655 -0.840 -0.672 1.00 0.00 C ATOM 450 O ASP A 39 -0.466 -1.024 -1.103 1.00 0.00 O ATOM 451 CB ASP A 39 -0.018 1.138 0.711 1.00 0.00 C ATOM 452 CG ASP A 39 0.535 1.429 2.107 1.00 0.00 C ATOM 453 OD1 ASP A 39 1.179 2.451 2.265 1.00 0.00 O ATOM 454 OD2 ASP A 39 0.306 0.621 2.992 1.00 0.00 O ATOM 0 H ASP A 39 0.795 1.116 -2.159 1.00 0.00 H new ATOM 0 HA ASP A 39 1.972 0.438 0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.381 2.057 0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.867 0.458 0.778 1.00 0.00 H new ATOM 459 N PHE A 40 1.547 -1.786 -0.688 1.00 0.00 N ATOM 460 CA PHE A 40 1.174 -3.112 -1.246 1.00 0.00 C ATOM 461 C PHE A 40 0.392 -3.913 -0.210 1.00 0.00 C ATOM 462 O PHE A 40 -0.732 -4.307 -0.439 1.00 0.00 O ATOM 463 CB PHE A 40 2.420 -3.905 -1.647 1.00 0.00 C ATOM 464 CG PHE A 40 3.398 -3.062 -2.437 1.00 0.00 C ATOM 465 CD1 PHE A 40 2.993 -1.877 -3.067 1.00 0.00 C ATOM 466 CD2 PHE A 40 4.725 -3.492 -2.555 1.00 0.00 C ATOM 467 CE1 PHE A 40 3.913 -1.130 -3.809 1.00 0.00 C ATOM 468 CE2 PHE A 40 5.642 -2.744 -3.297 1.00 0.00 C ATOM 469 CZ PHE A 40 5.238 -1.564 -3.924 1.00 0.00 C ATOM 0 H PHE A 40 2.504 -1.702 -0.345 1.00 0.00 H new ATOM 0 HA PHE A 40 0.558 -2.944 -2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.911 -4.286 -0.752 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.124 -4.770 -2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.970 -1.541 -2.979 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.041 -4.404 -2.071 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.600 -0.217 -4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.665 -3.079 -3.386 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.948 -0.986 -4.498 1.00 0.00 H new ATOM 479 N GLY A 41 0.984 -4.173 0.919 1.00 0.00 N ATOM 480 CA GLY A 41 0.277 -4.969 1.957 1.00 0.00 C ATOM 481 C GLY A 41 0.591 -6.454 1.751 1.00 0.00 C ATOM 482 O GLY A 41 -0.081 -7.319 2.277 1.00 0.00 O ATOM 0 H GLY A 41 1.925 -3.870 1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.591 -4.653 2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.798 -4.800 1.893 1.00 0.00 H new ATOM 486 N ASP A 42 1.625 -6.753 1.007 1.00 0.00 N ATOM 487 CA ASP A 42 2.010 -8.168 0.784 1.00 0.00 C ATOM 488 C ASP A 42 3.236 -8.439 1.650 1.00 0.00 C ATOM 489 O ASP A 42 3.139 -8.546 2.857 1.00 0.00 O ATOM 490 CB ASP A 42 2.328 -8.397 -0.706 1.00 0.00 C ATOM 491 CG ASP A 42 2.999 -7.155 -1.326 1.00 0.00 C ATOM 492 OD1 ASP A 42 3.793 -6.519 -0.649 1.00 0.00 O ATOM 493 OD2 ASP A 42 2.718 -6.871 -2.476 1.00 0.00 O ATOM 0 H ASP A 42 2.221 -6.067 0.543 1.00 0.00 H new ATOM 0 HA ASP A 42 1.200 -8.846 1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.985 -9.261 -0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.410 -8.626 -1.246 1.00 0.00 H new ATOM 498 N GLY A 43 4.391 -8.491 1.063 1.00 0.00 N ATOM 499 CA GLY A 43 5.613 -8.684 1.868 1.00 0.00 C ATOM 500 C GLY A 43 6.030 -7.317 2.417 1.00 0.00 C ATOM 501 O GLY A 43 6.734 -7.218 3.402 1.00 0.00 O ATOM 0 H GLY A 43 4.540 -8.408 0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.427 -9.383 2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.409 -9.110 1.258 1.00 0.00 H new ATOM 505 N SER A 44 5.585 -6.256 1.784 1.00 0.00 N ATOM 506 CA SER A 44 5.934 -4.891 2.263 1.00 0.00 C ATOM 507 C SER A 44 4.672 -4.020 2.263 1.00 0.00 C ATOM 508 O SER A 44 3.944 -3.956 1.290 1.00 0.00 O ATOM 509 CB SER A 44 6.988 -4.280 1.336 1.00 0.00 C ATOM 510 OG SER A 44 6.352 -3.713 0.199 1.00 0.00 O ATOM 0 H SER A 44 4.993 -6.283 0.954 1.00 0.00 H new ATOM 0 HA SER A 44 6.336 -4.945 3.275 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.555 -3.515 1.867 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.699 -5.045 1.024 1.00 0.00 H new ATOM 0 HG SER A 44 5.398 -3.938 0.211 1.00 0.00 H new ATOM 516 N ALA A 45 4.401 -3.355 3.351 1.00 0.00 N ATOM 517 CA ALA A 45 3.186 -2.497 3.415 1.00 0.00 C ATOM 518 C ALA A 45 3.469 -1.153 2.745 1.00 0.00 C ATOM 519 O ALA A 45 3.166 -0.946 1.582 1.00 0.00 O ATOM 520 CB ALA A 45 2.794 -2.275 4.877 1.00 0.00 C ATOM 0 H ALA A 45 4.968 -3.369 4.199 1.00 0.00 H new ATOM 0 HA ALA A 45 2.366 -2.990 2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.904 -1.647 4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.585 -3.236 5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.613 -1.784 5.403 1.00 0.00 H new ATOM 526 N GLU A 46 4.045 -0.248 3.488 1.00 0.00 N ATOM 527 CA GLU A 46 4.368 1.107 2.951 1.00 0.00 C ATOM 528 C GLU A 46 5.296 0.979 1.744 1.00 0.00 C ATOM 529 O GLU A 46 6.079 0.054 1.648 1.00 0.00 O ATOM 530 CB GLU A 46 5.062 1.927 4.041 1.00 0.00 C ATOM 531 CG GLU A 46 4.016 2.700 4.846 1.00 0.00 C ATOM 532 CD GLU A 46 3.102 1.714 5.576 1.00 0.00 C ATOM 533 OE1 GLU A 46 3.610 0.949 6.380 1.00 0.00 O ATOM 534 OE2 GLU A 46 1.910 1.744 5.322 1.00 0.00 O ATOM 0 H GLU A 46 4.311 -0.392 4.462 1.00 0.00 H new ATOM 0 HA GLU A 46 3.448 1.604 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.629 1.269 4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.774 2.619 3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.507 3.357 5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.428 3.335 4.183 1.00 0.00 H new ATOM 541 N VAL A 47 5.202 1.891 0.812 1.00 0.00 N ATOM 542 CA VAL A 47 6.066 1.806 -0.400 1.00 0.00 C ATOM 543 C VAL A 47 6.614 3.183 -0.772 1.00 0.00 C ATOM 544 O VAL A 47 5.870 4.095 -1.060 1.00 0.00 O ATOM 545 CB VAL A 47 5.229 1.294 -1.565 1.00 0.00 C ATOM 546 CG1 VAL A 47 6.119 1.099 -2.785 1.00 0.00 C ATOM 547 CG2 VAL A 47 4.588 -0.038 -1.191 1.00 0.00 C ATOM 0 H VAL A 47 4.566 2.688 0.838 1.00 0.00 H new ATOM 0 HA VAL A 47 6.898 1.134 -0.189 1.00 0.00 H new ATOM 0 HB VAL A 47 4.449 2.021 -1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.519 0.733 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.576 2.050 -3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.900 0.374 -2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.990 -0.401 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.367 -0.764 -0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.948 0.098 -0.319 1.00 0.00 H new ATOM 557 N ASP A 48 7.911 3.326 -0.807 1.00 0.00 N ATOM 558 CA ASP A 48 8.511 4.632 -1.201 1.00 0.00 C ATOM 559 C ASP A 48 9.038 4.504 -2.631 1.00 0.00 C ATOM 560 O ASP A 48 10.115 3.990 -2.862 1.00 0.00 O ATOM 561 CB ASP A 48 9.663 4.975 -0.255 1.00 0.00 C ATOM 562 CG ASP A 48 9.144 5.017 1.183 1.00 0.00 C ATOM 563 OD1 ASP A 48 8.191 5.737 1.428 1.00 0.00 O ATOM 564 OD2 ASP A 48 9.709 4.325 2.014 1.00 0.00 O ATOM 0 H ASP A 48 8.582 2.593 -0.579 1.00 0.00 H new ATOM 0 HA ASP A 48 7.763 5.423 -1.145 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.456 4.233 -0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.096 5.938 -0.525 1.00 0.00 H new ATOM 569 N ALA A 49 8.273 4.938 -3.597 1.00 0.00 N ATOM 570 CA ALA A 49 8.715 4.806 -5.016 1.00 0.00 C ATOM 571 C ALA A 49 9.106 6.165 -5.604 1.00 0.00 C ATOM 572 O ALA A 49 8.812 7.209 -5.054 1.00 0.00 O ATOM 573 CB ALA A 49 7.572 4.227 -5.838 1.00 0.00 C ATOM 0 H ALA A 49 7.362 5.378 -3.465 1.00 0.00 H new ATOM 0 HA ALA A 49 9.586 4.151 -5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.886 4.127 -6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.301 3.247 -5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.710 4.892 -5.782 1.00 0.00 H new ATOM 579 N ALA A 50 9.764 6.142 -6.735 1.00 0.00 N ATOM 580 CA ALA A 50 10.186 7.408 -7.395 1.00 0.00 C ATOM 581 C ALA A 50 9.201 7.754 -8.517 1.00 0.00 C ATOM 582 O ALA A 50 8.537 6.883 -9.074 1.00 0.00 O ATOM 583 CB ALA A 50 11.585 7.229 -7.991 1.00 0.00 C ATOM 0 H ALA A 50 10.028 5.291 -7.232 1.00 0.00 H new ATOM 0 HA ALA A 50 10.200 8.212 -6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.896 8.155 -8.475 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.289 6.980 -7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.567 6.424 -8.726 1.00 0.00 H new ATOM 589 N GLY A 51 9.097 9.020 -8.852 1.00 0.00 N ATOM 590 CA GLY A 51 8.157 9.438 -9.929 1.00 0.00 C ATOM 591 C GLY A 51 6.819 8.744 -9.709 1.00 0.00 C ATOM 592 O GLY A 51 6.497 8.357 -8.607 1.00 0.00 O ATOM 0 H GLY A 51 9.626 9.779 -8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.027 10.520 -9.918 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.562 9.176 -10.906 1.00 0.00 H new ATOM 596 N PRO A 52 6.083 8.600 -10.765 1.00 0.00 N ATOM 597 CA PRO A 52 4.782 7.931 -10.725 1.00 0.00 C ATOM 598 C PRO A 52 4.945 6.421 -10.973 1.00 0.00 C ATOM 599 O PRO A 52 4.161 5.840 -11.693 1.00 0.00 O ATOM 600 CB PRO A 52 4.038 8.563 -11.904 1.00 0.00 C ATOM 601 CG PRO A 52 5.125 9.090 -12.878 1.00 0.00 C ATOM 602 CD PRO A 52 6.450 9.127 -12.091 1.00 0.00 C ATOM 0 HA PRO A 52 4.274 8.042 -9.767 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.398 7.831 -12.396 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.393 9.374 -11.566 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.211 8.440 -13.749 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.866 10.083 -13.245 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.216 8.515 -12.567 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.848 10.140 -12.024 1.00 0.00 H new ATOM 610 N ALA A 53 5.948 5.762 -10.427 1.00 0.00 N ATOM 611 CA ALA A 53 6.063 4.298 -10.734 1.00 0.00 C ATOM 612 C ALA A 53 6.556 3.482 -9.534 1.00 0.00 C ATOM 613 O ALA A 53 7.211 3.979 -8.643 1.00 0.00 O ATOM 614 CB ALA A 53 7.021 4.099 -11.906 1.00 0.00 C ATOM 0 H ALA A 53 6.660 6.154 -9.811 1.00 0.00 H new ATOM 0 HA ALA A 53 5.065 3.940 -10.986 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.106 3.036 -12.130 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.640 4.625 -12.781 1.00 0.00 H new ATOM 0 HB3 ALA A 53 8.003 4.494 -11.645 1.00 0.00 H new ATOM 620 N ALA A 54 6.238 2.208 -9.539 1.00 0.00 N ATOM 621 CA ALA A 54 6.659 1.283 -8.442 1.00 0.00 C ATOM 622 C ALA A 54 6.391 -0.154 -8.898 1.00 0.00 C ATOM 623 O ALA A 54 6.119 -0.401 -10.054 1.00 0.00 O ATOM 624 CB ALA A 54 5.846 1.571 -7.178 1.00 0.00 C ATOM 0 H ALA A 54 5.691 1.763 -10.276 1.00 0.00 H new ATOM 0 HA ALA A 54 7.717 1.424 -8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.158 0.894 -6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.014 2.601 -6.864 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.786 1.424 -7.386 1.00 0.00 H new ATOM 630 N SER A 55 6.456 -1.103 -8.007 1.00 0.00 N ATOM 631 CA SER A 55 6.187 -2.518 -8.404 1.00 0.00 C ATOM 632 C SER A 55 5.727 -3.317 -7.186 1.00 0.00 C ATOM 633 O SER A 55 6.201 -3.124 -6.088 1.00 0.00 O ATOM 634 CB SER A 55 7.443 -3.145 -8.995 1.00 0.00 C ATOM 635 OG SER A 55 8.255 -3.659 -7.948 1.00 0.00 O ATOM 0 H SER A 55 6.683 -0.963 -7.022 1.00 0.00 H new ATOM 0 HA SER A 55 5.401 -2.532 -9.159 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.173 -3.944 -9.685 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.998 -2.402 -9.568 1.00 0.00 H new ATOM 0 HG SER A 55 9.174 -3.769 -8.270 1.00 0.00 H new ATOM 641 N HIS A 56 4.784 -4.198 -7.376 1.00 0.00 N ATOM 642 CA HIS A 56 4.256 -4.995 -6.235 1.00 0.00 C ATOM 643 C HIS A 56 4.906 -6.375 -6.170 1.00 0.00 C ATOM 644 O HIS A 56 5.153 -7.011 -7.174 1.00 0.00 O ATOM 645 CB HIS A 56 2.754 -5.172 -6.413 1.00 0.00 C ATOM 646 CG HIS A 56 2.040 -4.032 -5.753 1.00 0.00 C ATOM 647 ND1 HIS A 56 2.095 -2.736 -6.240 1.00 0.00 N ATOM 648 CD2 HIS A 56 1.245 -3.982 -4.643 1.00 0.00 C ATOM 649 CE1 HIS A 56 1.346 -1.971 -5.427 1.00 0.00 C ATOM 650 NE2 HIS A 56 0.802 -2.683 -4.440 1.00 0.00 N ATOM 0 H HIS A 56 4.354 -4.401 -8.279 1.00 0.00 H new ATOM 0 HA HIS A 56 4.482 -4.463 -5.311 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.504 -5.208 -7.473 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.433 -6.118 -5.977 1.00 0.00 H new ATOM 0 HD1 HIS A 56 2.609 -2.421 -7.063 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.998 -4.827 -4.017 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.202 -0.909 -5.558 1.00 0.00 H new ATOM 658 N ARG A 57 5.150 -6.844 -4.978 1.00 0.00 N ATOM 659 CA ARG A 57 5.756 -8.194 -4.798 1.00 0.00 C ATOM 660 C ARG A 57 4.729 -9.092 -4.106 1.00 0.00 C ATOM 661 O ARG A 57 4.660 -9.154 -2.896 1.00 0.00 O ATOM 662 CB ARG A 57 7.020 -8.086 -3.934 1.00 0.00 C ATOM 663 CG ARG A 57 6.726 -7.277 -2.665 1.00 0.00 C ATOM 664 CD ARG A 57 7.736 -6.133 -2.537 1.00 0.00 C ATOM 665 NE ARG A 57 7.654 -5.252 -3.737 1.00 0.00 N ATOM 666 CZ ARG A 57 8.669 -4.501 -4.064 1.00 0.00 C ATOM 667 NH1 ARG A 57 9.163 -3.656 -3.199 1.00 0.00 N ATOM 668 NH2 ARG A 57 9.192 -4.594 -5.256 1.00 0.00 N ATOM 0 H ARG A 57 4.953 -6.344 -4.111 1.00 0.00 H new ATOM 0 HA ARG A 57 6.031 -8.615 -5.765 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.372 -9.082 -3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.818 -7.608 -4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.713 -6.878 -2.703 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.781 -7.923 -1.789 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.533 -5.555 -1.635 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.744 -6.535 -2.437 1.00 0.00 H new ATOM 0 HE ARG A 57 6.805 -5.237 -4.302 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.755 -3.583 -2.267 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.957 -3.069 -3.456 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.807 -5.254 -5.932 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.986 -4.007 -5.512 1.00 0.00 H new ATOM 682 N TYR A 58 3.918 -9.777 -4.863 1.00 0.00 N ATOM 683 CA TYR A 58 2.883 -10.650 -4.240 1.00 0.00 C ATOM 684 C TYR A 58 3.416 -12.076 -4.118 1.00 0.00 C ATOM 685 O TYR A 58 3.817 -12.683 -5.087 1.00 0.00 O ATOM 686 CB TYR A 58 1.624 -10.605 -5.109 1.00 0.00 C ATOM 687 CG TYR A 58 0.974 -9.267 -4.922 1.00 0.00 C ATOM 688 CD1 TYR A 58 0.652 -8.844 -3.634 1.00 0.00 C ATOM 689 CD2 TYR A 58 0.685 -8.458 -6.023 1.00 0.00 C ATOM 690 CE1 TYR A 58 0.040 -7.609 -3.439 1.00 0.00 C ATOM 691 CE2 TYR A 58 0.066 -7.221 -5.826 1.00 0.00 C ATOM 692 CZ TYR A 58 -0.256 -6.800 -4.529 1.00 0.00 C ATOM 693 OH TYR A 58 -0.882 -5.594 -4.323 1.00 0.00 O ATOM 0 H TYR A 58 3.926 -9.771 -5.883 1.00 0.00 H new ATOM 0 HA TYR A 58 2.639 -10.298 -3.238 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.880 -10.760 -6.157 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.938 -11.404 -4.826 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.877 -9.475 -2.787 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.938 -8.786 -7.020 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.205 -7.280 -2.440 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.164 -6.590 -6.672 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.830 -5.356 -3.374 1.00 0.00 H new ATOM 703 N VAL A 59 3.447 -12.603 -2.920 1.00 0.00 N ATOM 704 CA VAL A 59 3.981 -13.984 -2.723 1.00 0.00 C ATOM 705 C VAL A 59 2.886 -14.933 -2.220 1.00 0.00 C ATOM 706 O VAL A 59 2.959 -16.126 -2.428 1.00 0.00 O ATOM 707 CB VAL A 59 5.121 -13.945 -1.703 1.00 0.00 C ATOM 708 CG1 VAL A 59 6.178 -12.937 -2.157 1.00 0.00 C ATOM 709 CG2 VAL A 59 4.575 -13.529 -0.334 1.00 0.00 C ATOM 0 H VAL A 59 3.126 -12.137 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 59 4.344 -14.353 -3.682 1.00 0.00 H new ATOM 0 HB VAL A 59 5.570 -14.935 -1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.990 -12.909 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.571 -13.235 -3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.727 -11.948 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.390 -13.502 0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.123 -12.540 -0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.824 -14.248 -0.008 1.00 0.00 H new ATOM 719 N LEU A 60 1.878 -14.433 -1.554 1.00 0.00 N ATOM 720 CA LEU A 60 0.808 -15.341 -1.050 1.00 0.00 C ATOM 721 C LEU A 60 -0.373 -15.317 -2.023 1.00 0.00 C ATOM 722 O LEU A 60 -0.657 -14.301 -2.620 1.00 0.00 O ATOM 723 CB LEU A 60 0.346 -14.867 0.331 1.00 0.00 C ATOM 724 CG LEU A 60 0.238 -16.061 1.280 1.00 0.00 C ATOM 725 CD1 LEU A 60 1.072 -15.796 2.535 1.00 0.00 C ATOM 726 CD2 LEU A 60 -1.226 -16.261 1.676 1.00 0.00 C ATOM 0 H LEU A 60 1.750 -13.444 -1.339 1.00 0.00 H new ATOM 0 HA LEU A 60 1.195 -16.357 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.051 -14.137 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.619 -14.367 0.250 1.00 0.00 H new ATOM 0 HG LEU A 60 0.609 -16.956 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.994 -16.648 3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.115 -15.650 2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.702 -14.901 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.307 -17.112 2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.594 -15.364 2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.822 -16.450 0.783 1.00 0.00 H new ATOM 738 N PRO A 61 -1.027 -16.439 -2.149 1.00 0.00 N ATOM 739 CA PRO A 61 -2.189 -16.579 -3.042 1.00 0.00 C ATOM 740 C PRO A 61 -3.424 -15.945 -2.398 1.00 0.00 C ATOM 741 O PRO A 61 -3.810 -16.288 -1.299 1.00 0.00 O ATOM 742 CB PRO A 61 -2.354 -18.093 -3.185 1.00 0.00 C ATOM 743 CG PRO A 61 -1.660 -18.724 -1.955 1.00 0.00 C ATOM 744 CD PRO A 61 -0.673 -17.671 -1.418 1.00 0.00 C ATOM 0 HA PRO A 61 -2.060 -16.084 -4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.408 -18.368 -3.220 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.902 -18.448 -4.111 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.392 -18.993 -1.193 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.137 -19.639 -2.232 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.778 -17.539 -0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.361 -17.962 -1.605 1.00 0.00 H new ATOM 752 N GLY A 62 -4.043 -15.017 -3.075 1.00 0.00 N ATOM 753 CA GLY A 62 -5.249 -14.353 -2.506 1.00 0.00 C ATOM 754 C GLY A 62 -5.426 -12.982 -3.158 1.00 0.00 C ATOM 755 O GLY A 62 -4.769 -12.658 -4.126 1.00 0.00 O ATOM 0 H GLY A 62 -3.764 -14.689 -4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.132 -14.968 -2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.143 -14.244 -1.427 1.00 0.00 H new ATOM 759 N ARG A 63 -6.310 -12.176 -2.639 1.00 0.00 N ATOM 760 CA ARG A 63 -6.529 -10.829 -3.234 1.00 0.00 C ATOM 761 C ARG A 63 -5.866 -9.760 -2.361 1.00 0.00 C ATOM 762 O ARG A 63 -6.169 -9.624 -1.192 1.00 0.00 O ATOM 763 CB ARG A 63 -8.031 -10.553 -3.325 1.00 0.00 C ATOM 764 CG ARG A 63 -8.353 -9.901 -4.671 1.00 0.00 C ATOM 765 CD ARG A 63 -8.551 -8.397 -4.476 1.00 0.00 C ATOM 766 NE ARG A 63 -9.991 -8.059 -4.660 1.00 0.00 N ATOM 767 CZ ARG A 63 -10.699 -7.639 -3.647 1.00 0.00 C ATOM 768 NH1 ARG A 63 -10.792 -8.367 -2.566 1.00 0.00 N ATOM 769 NH2 ARG A 63 -11.315 -6.490 -3.714 1.00 0.00 N ATOM 0 H ARG A 63 -6.890 -12.392 -1.828 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.089 -10.800 -4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.589 -11.483 -3.217 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.341 -9.899 -2.510 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.544 -10.083 -5.378 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.253 -10.345 -5.096 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.221 -8.102 -3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.942 -7.843 -5.191 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.424 -8.156 -5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.311 -9.265 -2.513 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.346 -8.037 -1.775 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.243 -5.921 -4.558 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.868 -6.161 -2.923 1.00 0.00 H new ATOM 783 N TYR A 64 -4.964 -9.002 -2.922 1.00 0.00 N ATOM 784 CA TYR A 64 -4.281 -7.940 -2.130 1.00 0.00 C ATOM 785 C TYR A 64 -4.917 -6.584 -2.433 1.00 0.00 C ATOM 786 O TYR A 64 -5.559 -6.401 -3.449 1.00 0.00 O ATOM 787 CB TYR A 64 -2.812 -7.865 -2.531 1.00 0.00 C ATOM 788 CG TYR A 64 -2.054 -9.072 -2.037 1.00 0.00 C ATOM 789 CD1 TYR A 64 -2.039 -10.246 -2.796 1.00 0.00 C ATOM 790 CD2 TYR A 64 -1.330 -9.002 -0.840 1.00 0.00 C ATOM 791 CE1 TYR A 64 -1.298 -11.350 -2.362 1.00 0.00 C ATOM 792 CE2 TYR A 64 -0.597 -10.108 -0.401 1.00 0.00 C ATOM 793 CZ TYR A 64 -0.578 -11.282 -1.163 1.00 0.00 C ATOM 794 OH TYR A 64 0.164 -12.365 -0.740 1.00 0.00 O ATOM 0 H TYR A 64 -4.670 -9.072 -3.896 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.376 -8.179 -1.071 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.731 -7.799 -3.616 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -2.366 -6.959 -2.122 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.600 -10.300 -3.717 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.338 -8.093 -0.256 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.281 -12.255 -2.952 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.045 -10.057 0.526 1.00 0.00 H new ATOM 0 HH TYR A 64 0.783 -12.082 -0.035 1.00 0.00 H new ATOM 804 N HIS A 65 -4.717 -5.626 -1.568 1.00 0.00 N ATOM 805 CA HIS A 65 -5.279 -4.268 -1.802 1.00 0.00 C ATOM 806 C HIS A 65 -4.121 -3.280 -1.983 1.00 0.00 C ATOM 807 O HIS A 65 -3.271 -3.142 -1.126 1.00 0.00 O ATOM 808 CB HIS A 65 -6.134 -3.852 -0.605 1.00 0.00 C ATOM 809 CG HIS A 65 -6.697 -2.479 -0.844 1.00 0.00 C ATOM 810 ND1 HIS A 65 -7.977 -2.278 -1.334 1.00 0.00 N ATOM 811 CD2 HIS A 65 -6.162 -1.228 -0.671 1.00 0.00 C ATOM 812 CE1 HIS A 65 -8.167 -0.949 -1.438 1.00 0.00 C ATOM 813 NE2 HIS A 65 -7.092 -0.263 -1.047 1.00 0.00 N ATOM 0 H HIS A 65 -4.185 -5.729 -0.704 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.903 -4.273 -2.696 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -6.943 -4.567 -0.456 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.533 -3.857 0.304 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.169 -1.023 -0.299 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.079 -0.494 -1.795 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -6.976 0.750 -1.028 1.00 0.00 H new ATOM 821 N VAL A 66 -4.073 -2.606 -3.099 1.00 0.00 N ATOM 822 CA VAL A 66 -2.964 -1.642 -3.355 1.00 0.00 C ATOM 823 C VAL A 66 -3.441 -0.204 -3.148 1.00 0.00 C ATOM 824 O VAL A 66 -4.593 0.112 -3.352 1.00 0.00 O ATOM 825 CB VAL A 66 -2.500 -1.789 -4.802 1.00 0.00 C ATOM 826 CG1 VAL A 66 -1.365 -0.802 -5.078 1.00 0.00 C ATOM 827 CG2 VAL A 66 -2.010 -3.212 -5.043 1.00 0.00 C ATOM 0 H VAL A 66 -4.759 -2.682 -3.850 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.151 -1.856 -2.662 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.334 -1.578 -5.471 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.034 -0.908 -6.111 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.719 0.215 -4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.531 -1.009 -4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.680 -3.313 -6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.178 -3.429 -4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.822 -3.914 -4.851 1.00 0.00 H new ATOM 837 N THR A 67 -2.546 0.672 -2.774 1.00 0.00 N ATOM 838 CA THR A 67 -2.914 2.105 -2.582 1.00 0.00 C ATOM 839 C THR A 67 -1.683 2.963 -2.878 1.00 0.00 C ATOM 840 O THR A 67 -0.570 2.480 -2.854 1.00 0.00 O ATOM 841 CB THR A 67 -3.368 2.355 -1.139 1.00 0.00 C ATOM 842 OG1 THR A 67 -2.317 2.982 -0.418 1.00 0.00 O ATOM 843 CG2 THR A 67 -3.735 1.035 -0.464 1.00 0.00 C ATOM 0 H THR A 67 -1.567 0.453 -2.592 1.00 0.00 H new ATOM 0 HA THR A 67 -3.733 2.362 -3.253 1.00 0.00 H new ATOM 0 HB THR A 67 -4.246 3.001 -1.148 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.605 3.145 0.505 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.056 1.227 0.560 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.546 0.558 -1.015 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.866 0.377 -0.455 1.00 0.00 H new ATOM 851 N ALA A 68 -1.864 4.225 -3.155 1.00 0.00 N ATOM 852 CA ALA A 68 -0.677 5.088 -3.442 1.00 0.00 C ATOM 853 C ALA A 68 -0.973 6.546 -3.095 1.00 0.00 C ATOM 854 O ALA A 68 -2.104 6.976 -3.050 1.00 0.00 O ATOM 855 CB ALA A 68 -0.303 5.003 -4.927 1.00 0.00 C ATOM 0 H ALA A 68 -2.769 4.694 -3.196 1.00 0.00 H new ATOM 0 HA ALA A 68 0.151 4.730 -2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.563 5.636 -5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.062 3.971 -5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.143 5.341 -5.534 1.00 0.00 H new ATOM 861 N VAL A 69 0.055 7.307 -2.872 1.00 0.00 N ATOM 862 CA VAL A 69 -0.115 8.747 -2.557 1.00 0.00 C ATOM 863 C VAL A 69 1.085 9.485 -3.143 1.00 0.00 C ATOM 864 O VAL A 69 2.195 9.363 -2.667 1.00 0.00 O ATOM 865 CB VAL A 69 -0.182 8.950 -1.041 1.00 0.00 C ATOM 866 CG1 VAL A 69 1.092 8.421 -0.380 1.00 0.00 C ATOM 867 CG2 VAL A 69 -0.333 10.442 -0.736 1.00 0.00 C ATOM 0 H VAL A 69 1.023 6.987 -2.895 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.042 9.130 -2.983 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.038 8.403 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.032 8.571 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.198 7.357 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.956 8.957 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.381 10.590 0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.523 10.984 -1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.248 10.816 -1.195 1.00 0.00 H new ATOM 877 N LEU A 70 0.888 10.224 -4.195 1.00 0.00 N ATOM 878 CA LEU A 70 2.051 10.920 -4.813 1.00 0.00 C ATOM 879 C LEU A 70 2.244 12.285 -4.174 1.00 0.00 C ATOM 880 O LEU A 70 1.302 12.942 -3.789 1.00 0.00 O ATOM 881 CB LEU A 70 1.835 11.139 -6.314 1.00 0.00 C ATOM 882 CG LEU A 70 0.748 10.226 -6.878 1.00 0.00 C ATOM 883 CD1 LEU A 70 0.681 10.454 -8.381 1.00 0.00 C ATOM 884 CD2 LEU A 70 1.084 8.759 -6.621 1.00 0.00 C ATOM 0 H LEU A 70 -0.012 10.376 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 70 2.925 10.289 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.563 12.179 -6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.770 10.959 -6.844 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.203 10.454 -6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.089 9.814 -8.812 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.438 11.498 -8.580 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.645 10.214 -8.829 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.296 8.128 -7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.032 8.513 -7.100 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.165 8.587 -5.548 1.00 0.00 H new ATOM 896 N ALA A 71 3.465 12.731 -4.089 1.00 0.00 N ATOM 897 CA ALA A 71 3.718 14.073 -3.511 1.00 0.00 C ATOM 898 C ALA A 71 4.584 14.867 -4.476 1.00 0.00 C ATOM 899 O ALA A 71 5.731 14.549 -4.721 1.00 0.00 O ATOM 900 CB ALA A 71 4.432 13.967 -2.175 1.00 0.00 C ATOM 0 H ALA A 71 4.295 12.224 -4.395 1.00 0.00 H new ATOM 0 HA ALA A 71 2.762 14.571 -3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.605 14.966 -1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.817 13.398 -1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.388 13.461 -2.312 1.00 0.00 H new ATOM 906 N LEU A 72 4.033 15.898 -5.020 1.00 0.00 N ATOM 907 CA LEU A 72 4.787 16.746 -5.976 1.00 0.00 C ATOM 908 C LEU A 72 5.223 18.029 -5.273 1.00 0.00 C ATOM 909 O LEU A 72 6.023 18.791 -5.779 1.00 0.00 O ATOM 910 CB LEU A 72 3.868 17.107 -7.136 1.00 0.00 C ATOM 911 CG LEU A 72 3.584 15.863 -7.988 1.00 0.00 C ATOM 912 CD1 LEU A 72 2.414 15.081 -7.390 1.00 0.00 C ATOM 913 CD2 LEU A 72 3.222 16.300 -9.408 1.00 0.00 C ATOM 0 H LEU A 72 3.075 16.200 -4.843 1.00 0.00 H new ATOM 0 HA LEU A 72 5.663 16.209 -6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.933 17.518 -6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.330 17.880 -7.750 1.00 0.00 H new ATOM 0 HG LEU A 72 4.470 15.228 -8.007 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.217 14.199 -7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.664 14.773 -6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.526 15.713 -7.369 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.019 15.420 -10.019 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.336 16.934 -9.379 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.053 16.858 -9.840 1.00 0.00 H new ATOM 925 N GLY A 73 4.678 18.279 -4.119 1.00 0.00 N ATOM 926 CA GLY A 73 5.021 19.518 -3.371 1.00 0.00 C ATOM 927 C GLY A 73 3.784 20.410 -3.344 1.00 0.00 C ATOM 928 O GLY A 73 3.363 20.883 -2.307 1.00 0.00 O ATOM 0 H GLY A 73 4.002 17.671 -3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.338 19.275 -2.357 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.853 20.034 -3.850 1.00 0.00 H new ATOM 932 N ALA A 74 3.187 20.625 -4.486 1.00 0.00 N ATOM 933 CA ALA A 74 1.960 21.466 -4.549 1.00 0.00 C ATOM 934 C ALA A 74 0.770 20.616 -5.015 1.00 0.00 C ATOM 935 O ALA A 74 -0.354 21.075 -5.043 1.00 0.00 O ATOM 936 CB ALA A 74 2.179 22.610 -5.538 1.00 0.00 C ATOM 0 H ALA A 74 3.500 20.251 -5.382 1.00 0.00 H new ATOM 0 HA ALA A 74 1.751 21.869 -3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.282 23.227 -5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.021 23.219 -5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.391 22.201 -6.526 1.00 0.00 H new ATOM 942 N GLY A 75 1.006 19.384 -5.383 1.00 0.00 N ATOM 943 CA GLY A 75 -0.114 18.515 -5.847 1.00 0.00 C ATOM 944 C GLY A 75 0.125 17.075 -5.384 1.00 0.00 C ATOM 945 O GLY A 75 1.227 16.696 -5.047 1.00 0.00 O ATOM 0 H GLY A 75 1.926 18.943 -5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.061 18.882 -5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.188 18.550 -6.934 1.00 0.00 H new ATOM 949 N SER A 76 -0.906 16.275 -5.360 1.00 0.00 N ATOM 950 CA SER A 76 -0.752 14.859 -4.916 1.00 0.00 C ATOM 951 C SER A 76 -1.799 13.995 -5.618 1.00 0.00 C ATOM 952 O SER A 76 -2.667 14.493 -6.306 1.00 0.00 O ATOM 953 CB SER A 76 -0.965 14.786 -3.403 1.00 0.00 C ATOM 954 OG SER A 76 -2.344 14.580 -3.133 1.00 0.00 O ATOM 0 H SER A 76 -1.853 16.542 -5.630 1.00 0.00 H new ATOM 0 HA SER A 76 0.246 14.498 -5.166 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.374 13.974 -2.980 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.624 15.707 -2.931 1.00 0.00 H new ATOM 0 HG SER A 76 -2.484 14.531 -2.164 1.00 0.00 H new ATOM 960 N ALA A 77 -1.726 12.703 -5.450 1.00 0.00 N ATOM 961 CA ALA A 77 -2.722 11.814 -6.108 1.00 0.00 C ATOM 962 C ALA A 77 -2.937 10.562 -5.255 1.00 0.00 C ATOM 963 O ALA A 77 -1.996 9.908 -4.850 1.00 0.00 O ATOM 964 CB ALA A 77 -2.205 11.415 -7.487 1.00 0.00 C ATOM 0 H ALA A 77 -1.021 12.227 -4.887 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.670 12.341 -6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.931 10.764 -7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.057 12.309 -8.093 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.257 10.887 -7.381 1.00 0.00 H new ATOM 970 N LEU A 78 -4.170 10.229 -4.974 1.00 0.00 N ATOM 971 CA LEU A 78 -4.452 9.024 -4.140 1.00 0.00 C ATOM 972 C LEU A 78 -4.709 7.814 -5.039 1.00 0.00 C ATOM 973 O LEU A 78 -5.343 7.916 -6.070 1.00 0.00 O ATOM 974 CB LEU A 78 -5.686 9.285 -3.276 1.00 0.00 C ATOM 975 CG LEU A 78 -5.593 8.465 -1.989 1.00 0.00 C ATOM 976 CD1 LEU A 78 -6.260 9.234 -0.849 1.00 0.00 C ATOM 977 CD2 LEU A 78 -6.304 7.122 -2.178 1.00 0.00 C ATOM 0 H LEU A 78 -4.995 10.741 -5.287 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.591 8.819 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.758 10.346 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.590 9.019 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.544 8.288 -1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.195 8.651 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.754 10.189 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.307 9.411 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.235 6.541 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.353 7.296 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.831 6.571 -2.991 1.00 0.00 H new ATOM 989 N LEU A 79 -4.205 6.670 -4.659 1.00 0.00 N ATOM 990 CA LEU A 79 -4.399 5.451 -5.487 1.00 0.00 C ATOM 991 C LEU A 79 -4.997 4.329 -4.644 1.00 0.00 C ATOM 992 O LEU A 79 -4.837 4.290 -3.439 1.00 0.00 O ATOM 993 CB LEU A 79 -3.037 4.997 -6.001 1.00 0.00 C ATOM 994 CG LEU A 79 -2.974 5.024 -7.529 1.00 0.00 C ATOM 995 CD1 LEU A 79 -2.699 3.611 -8.043 1.00 0.00 C ATOM 996 CD2 LEU A 79 -4.287 5.538 -8.115 1.00 0.00 C ATOM 0 H LEU A 79 -3.665 6.530 -3.805 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.074 5.679 -6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.260 5.643 -5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.831 3.987 -5.646 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.174 5.696 -7.839 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.653 3.623 -9.132 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.749 3.257 -7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.499 2.945 -7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.220 5.549 -9.203 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.103 4.884 -7.808 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.476 6.549 -7.753 1.00 0.00 H new ATOM 1008 N GLY A 80 -5.671 3.409 -5.282 1.00 0.00 N ATOM 1009 CA GLY A 80 -6.279 2.269 -4.542 1.00 0.00 C ATOM 1010 C GLY A 80 -6.623 1.138 -5.524 1.00 0.00 C ATOM 1011 O GLY A 80 -7.729 1.057 -6.021 1.00 0.00 O ATOM 0 H GLY A 80 -5.826 3.400 -6.290 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.587 1.906 -3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.179 2.599 -4.022 1.00 0.00 H new ATOM 1015 N THR A 81 -5.691 0.261 -5.804 1.00 0.00 N ATOM 1016 CA THR A 81 -5.981 -0.860 -6.754 1.00 0.00 C ATOM 1017 C THR A 81 -6.151 -2.170 -5.970 1.00 0.00 C ATOM 1018 O THR A 81 -6.119 -2.185 -4.761 1.00 0.00 O ATOM 1019 CB THR A 81 -4.832 -1.017 -7.773 1.00 0.00 C ATOM 1020 OG1 THR A 81 -4.178 -2.261 -7.570 1.00 0.00 O ATOM 1021 CG2 THR A 81 -3.809 0.114 -7.626 1.00 0.00 C ATOM 0 H THR A 81 -4.747 0.271 -5.419 1.00 0.00 H new ATOM 0 HA THR A 81 -6.901 -0.631 -7.293 1.00 0.00 H new ATOM 0 HB THR A 81 -5.260 -0.977 -8.775 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.960 -2.661 -8.438 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.010 -0.021 -8.355 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.299 1.072 -7.797 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.389 0.096 -6.620 1.00 0.00 H new ATOM 1029 N ASP A 82 -6.323 -3.269 -6.662 1.00 0.00 N ATOM 1030 CA ASP A 82 -6.480 -4.589 -5.984 1.00 0.00 C ATOM 1031 C ASP A 82 -5.943 -5.667 -6.929 1.00 0.00 C ATOM 1032 O ASP A 82 -6.050 -5.540 -8.132 1.00 0.00 O ATOM 1033 CB ASP A 82 -7.960 -4.853 -5.696 1.00 0.00 C ATOM 1034 CG ASP A 82 -8.299 -4.392 -4.276 1.00 0.00 C ATOM 1035 OD1 ASP A 82 -8.171 -5.193 -3.367 1.00 0.00 O ATOM 1036 OD2 ASP A 82 -8.685 -3.245 -4.126 1.00 0.00 O ATOM 0 H ASP A 82 -6.361 -3.306 -7.681 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.934 -4.597 -5.040 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.581 -4.324 -6.419 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.178 -5.915 -5.806 1.00 0.00 H new ATOM 1041 N VAL A 83 -5.359 -6.721 -6.420 1.00 0.00 N ATOM 1042 CA VAL A 83 -4.826 -7.764 -7.337 1.00 0.00 C ATOM 1043 C VAL A 83 -5.281 -9.149 -6.883 1.00 0.00 C ATOM 1044 O VAL A 83 -5.324 -9.447 -5.708 1.00 0.00 O ATOM 1045 CB VAL A 83 -3.290 -7.722 -7.357 1.00 0.00 C ATOM 1046 CG1 VAL A 83 -2.744 -6.821 -6.246 1.00 0.00 C ATOM 1047 CG2 VAL A 83 -2.753 -9.130 -7.130 1.00 0.00 C ATOM 0 H VAL A 83 -5.231 -6.901 -5.424 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.208 -7.565 -8.339 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.974 -7.327 -8.323 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.655 -6.812 -6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.120 -5.807 -6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.068 -7.201 -5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.663 -9.110 -7.143 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.098 -9.500 -6.164 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.113 -9.789 -7.920 1.00 0.00 H new ATOM 1057 N GLN A 84 -5.603 -10.004 -7.815 1.00 0.00 N ATOM 1058 CA GLN A 84 -6.035 -11.382 -7.456 1.00 0.00 C ATOM 1059 C GLN A 84 -4.884 -12.343 -7.750 1.00 0.00 C ATOM 1060 O GLN A 84 -4.766 -12.871 -8.839 1.00 0.00 O ATOM 1061 CB GLN A 84 -7.257 -11.771 -8.292 1.00 0.00 C ATOM 1062 CG GLN A 84 -7.698 -13.192 -7.928 1.00 0.00 C ATOM 1063 CD GLN A 84 -8.757 -13.670 -8.923 1.00 0.00 C ATOM 1064 OE1 GLN A 84 -9.923 -13.754 -8.594 1.00 0.00 O ATOM 1065 NE2 GLN A 84 -8.398 -13.989 -10.136 1.00 0.00 N ATOM 0 H GLN A 84 -5.585 -9.805 -8.815 1.00 0.00 H new ATOM 0 HA GLN A 84 -6.300 -11.428 -6.400 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.072 -11.069 -8.112 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.017 -11.715 -9.354 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.841 -13.865 -7.942 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.101 -13.211 -6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.419 -13.919 -10.413 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -9.096 -14.309 -10.807 1.00 0.00 H new ATOM 1074 N VAL A 85 -4.021 -12.559 -6.798 1.00 0.00 N ATOM 1075 CA VAL A 85 -2.868 -13.469 -7.033 1.00 0.00 C ATOM 1076 C VAL A 85 -3.300 -14.924 -6.847 1.00 0.00 C ATOM 1077 O VAL A 85 -3.959 -15.274 -5.890 1.00 0.00 O ATOM 1078 CB VAL A 85 -1.750 -13.133 -6.047 1.00 0.00 C ATOM 1079 CG1 VAL A 85 -0.694 -14.242 -6.062 1.00 0.00 C ATOM 1080 CG2 VAL A 85 -1.106 -11.811 -6.463 1.00 0.00 C ATOM 0 H VAL A 85 -4.065 -12.144 -5.867 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.508 -13.337 -8.053 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.161 -13.047 -5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.101 -13.997 -5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.155 -15.187 -5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.275 -14.332 -7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.306 -11.561 -5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.695 -11.907 -7.468 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.857 -11.021 -6.452 1.00 0.00 H new ATOM 1090 N GLU A 86 -2.919 -15.774 -7.762 1.00 0.00 N ATOM 1091 CA GLU A 86 -3.287 -17.214 -7.657 1.00 0.00 C ATOM 1092 C GLU A 86 -2.059 -18.003 -7.188 1.00 0.00 C ATOM 1093 O GLU A 86 -1.240 -17.494 -6.455 1.00 0.00 O ATOM 1094 CB GLU A 86 -3.737 -17.718 -9.032 1.00 0.00 C ATOM 1095 CG GLU A 86 -2.622 -17.483 -10.056 1.00 0.00 C ATOM 1096 CD GLU A 86 -2.826 -18.402 -11.260 1.00 0.00 C ATOM 1097 OE1 GLU A 86 -3.887 -18.994 -11.357 1.00 0.00 O ATOM 1098 OE2 GLU A 86 -1.914 -18.500 -12.065 1.00 0.00 O ATOM 0 H GLU A 86 -2.365 -15.530 -8.583 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.100 -17.346 -6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.979 -18.780 -8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.644 -17.199 -9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.624 -16.441 -10.377 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.650 -17.675 -9.601 1.00 0.00 H new ATOM 1105 N ALA A 87 -1.914 -19.232 -7.607 1.00 0.00 N ATOM 1106 CA ALA A 87 -0.725 -20.022 -7.183 1.00 0.00 C ATOM 1107 C ALA A 87 0.039 -20.493 -8.423 1.00 0.00 C ATOM 1108 O ALA A 87 1.242 -20.350 -8.512 1.00 0.00 O ATOM 1109 CB ALA A 87 -1.172 -21.234 -6.365 1.00 0.00 C ATOM 0 H ALA A 87 -2.565 -19.720 -8.222 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.076 -19.397 -6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.298 -21.808 -6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.714 -20.897 -5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.824 -21.862 -6.972 1.00 0.00 H new