USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 569 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 38 MET CE :methyl -144:sc= -0.0967 (180deg=-2.07!) USER MOD Set 1.2: A 48 MET CE :methyl 171:sc= -4.17! (180deg=-4.55!) USER MOD Set 2.1: A 20 THR OG1 : rot 164:sc= 1.17 USER MOD Set 2.2: A 51 TYR OH : rot -130:sc= 0.27 USER MOD Set 3.1: A 4 GLN : amide:sc= -1.09 K(o=-1.9,f=-7.6!) USER MOD Set 3.2: A 14 GLN : amide:sc= -0.764! C(o=-1.9!,f=-7.9!) USER MOD Single : A 1 ALA N :NH3+ 132:sc= 0.0537 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -154:sc= -0.511! (180deg=-2.29!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.275 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0706 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.41! C(o=-2.4!,f=-5.2!) USER MOD Single : A 22 SER OG : rot 92:sc= 1.23 USER MOD Single : A 24 LYS NZ :NH3+ 149:sc= 1.23 (180deg=0.588) USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= -0.0106 (180deg=-0.106) USER MOD Single : A 30 THR OG1 : rot -68:sc= 1.15 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.0141 F(o=-1.3!,f=-0.014) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.04 X(o=-0.04,f=-0.54) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0512 X(o=-0.051,f=-0.051) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 76 HIS : no HD1:sc= -0.0728 X(o=-0.073,f=-0.0035) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.675 6.244 -10.687 1.00 0.00 N ATOM 2 CA ALA A 1 -8.175 6.298 -9.318 1.00 0.00 C ATOM 3 C ALA A 1 -8.211 7.731 -8.839 1.00 0.00 C ATOM 4 O ALA A 1 -7.909 8.644 -9.605 1.00 0.00 O ATOM 5 CB ALA A 1 -6.754 5.747 -9.255 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.024 5.683 -11.272 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.616 5.802 -10.696 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.742 7.208 -11.071 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.804 5.686 -8.672 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.391 5.792 -8.228 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.750 4.712 -9.596 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.104 6.343 -9.896 1.00 0.00 H new ATOM 13 N ASP A 2 -8.586 7.950 -7.603 1.00 0.00 N ATOM 14 CA ASP A 2 -8.634 9.295 -7.061 1.00 0.00 C ATOM 15 C ASP A 2 -8.373 9.268 -5.584 1.00 0.00 C ATOM 16 O ASP A 2 -8.083 8.212 -5.019 1.00 0.00 O ATOM 17 CB ASP A 2 -9.974 10.020 -7.366 1.00 0.00 C ATOM 18 CG ASP A 2 -11.202 9.374 -6.746 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.767 8.442 -7.354 1.00 0.00 O ATOM 20 OD2 ASP A 2 -11.649 9.806 -5.676 1.00 0.00 O ATOM 0 H ASP A 2 -8.863 7.218 -6.949 1.00 0.00 H new ATOM 0 HA ASP A 2 -7.850 9.867 -7.557 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.904 11.048 -7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.110 10.064 -8.447 1.00 0.00 H new ATOM 25 N LYS A 3 -8.413 10.418 -4.981 1.00 0.00 N ATOM 26 CA LYS A 3 -8.211 10.553 -3.576 1.00 0.00 C ATOM 27 C LYS A 3 -9.438 11.275 -3.040 1.00 0.00 C ATOM 28 O LYS A 3 -10.082 11.998 -3.803 1.00 0.00 O ATOM 29 CB LYS A 3 -6.950 11.381 -3.326 1.00 0.00 C ATOM 30 CG LYS A 3 -6.287 11.158 -1.973 1.00 0.00 C ATOM 31 CD LYS A 3 -5.649 9.753 -1.845 1.00 0.00 C ATOM 32 CE LYS A 3 -4.327 9.570 -2.651 1.00 0.00 C ATOM 33 NZ LYS A 3 -4.473 9.680 -4.126 1.00 0.00 N ATOM 0 H LYS A 3 -8.590 11.300 -5.462 1.00 0.00 H new ATOM 0 HA LYS A 3 -8.082 9.589 -3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.226 11.157 -4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.203 12.437 -3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.519 11.917 -1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.027 11.290 -1.184 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.449 9.553 -0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.371 9.008 -2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.607 10.317 -2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.906 8.593 -2.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.717 9.139 -4.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.398 9.300 -4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.407 10.679 -4.408 1.00 0.00 H new ATOM 47 N GLN A 4 -9.758 11.074 -1.755 1.00 0.00 N ATOM 48 CA GLN A 4 -10.963 11.647 -1.116 1.00 0.00 C ATOM 49 C GLN A 4 -11.078 13.159 -1.387 1.00 0.00 C ATOM 50 O GLN A 4 -11.913 13.598 -2.186 1.00 0.00 O ATOM 51 CB GLN A 4 -10.941 11.364 0.406 1.00 0.00 C ATOM 52 CG GLN A 4 -12.215 11.726 1.159 1.00 0.00 C ATOM 53 CD GLN A 4 -13.394 10.835 0.795 1.00 0.00 C ATOM 54 OE1 GLN A 4 -13.509 10.343 -0.330 1.00 0.00 O ATOM 55 NE2 GLN A 4 -14.242 10.588 1.742 1.00 0.00 N ATOM 0 H GLN A 4 -9.191 10.509 -1.123 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.840 11.169 -1.552 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.739 10.304 0.558 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.110 11.913 0.848 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -12.030 11.654 2.231 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -12.472 12.764 0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -14.117 11.012 2.661 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -15.035 9.970 1.568 1.00 0.00 H new ATOM 64 N THR A 5 -10.240 13.919 -0.749 1.00 0.00 N ATOM 65 CA THR A 5 -10.147 15.344 -0.952 1.00 0.00 C ATOM 66 C THR A 5 -8.684 15.700 -0.819 1.00 0.00 C ATOM 67 O THR A 5 -8.031 16.122 -1.766 1.00 0.00 O ATOM 68 CB THR A 5 -10.993 16.125 0.101 1.00 0.00 C ATOM 69 OG1 THR A 5 -10.777 15.575 1.420 1.00 0.00 O ATOM 70 CG2 THR A 5 -12.482 16.103 -0.230 1.00 0.00 C ATOM 0 H THR A 5 -9.583 13.562 -0.055 1.00 0.00 H new ATOM 0 HA THR A 5 -10.539 15.617 -1.932 1.00 0.00 H new ATOM 0 HB THR A 5 -10.663 17.164 0.077 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.311 16.073 2.074 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.032 16.659 0.530 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.645 16.563 -1.205 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.835 15.072 -0.252 1.00 0.00 H new ATOM 78 N HIS A 6 -8.189 15.472 0.360 1.00 0.00 N ATOM 79 CA HIS A 6 -6.797 15.598 0.705 1.00 0.00 C ATOM 80 C HIS A 6 -6.484 14.344 1.482 1.00 0.00 C ATOM 81 O HIS A 6 -7.296 13.389 1.464 1.00 0.00 O ATOM 82 CB HIS A 6 -6.556 16.826 1.620 1.00 0.00 C ATOM 83 CG HIS A 6 -6.918 18.161 1.030 1.00 0.00 C ATOM 84 ND1 HIS A 6 -5.997 19.080 0.603 1.00 0.00 N ATOM 85 CD2 HIS A 6 -8.131 18.736 0.845 1.00 0.00 C ATOM 86 CE1 HIS A 6 -6.652 20.158 0.186 1.00 0.00 C ATOM 87 NE2 HIS A 6 -7.957 20.002 0.309 1.00 0.00 N ATOM 0 H HIS A 6 -8.768 15.179 1.147 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.178 15.728 -0.183 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.127 16.689 2.539 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -5.503 16.847 1.899 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.082 18.280 1.078 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.178 21.047 -0.203 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.685 20.673 0.061 1.00 0.00 H new ATOM 95 N GLU A 7 -5.358 14.301 2.147 1.00 0.00 N ATOM 96 CA GLU A 7 -5.091 13.204 3.030 1.00 0.00 C ATOM 97 C GLU A 7 -5.782 13.463 4.355 1.00 0.00 C ATOM 98 O GLU A 7 -5.238 14.068 5.279 1.00 0.00 O ATOM 99 CB GLU A 7 -3.609 12.921 3.167 1.00 0.00 C ATOM 100 CG GLU A 7 -2.995 12.414 1.878 1.00 0.00 C ATOM 101 CD GLU A 7 -1.524 12.193 1.986 1.00 0.00 C ATOM 102 OE1 GLU A 7 -1.101 11.057 2.279 1.00 0.00 O ATOM 103 OE2 GLU A 7 -0.748 13.152 1.768 1.00 0.00 O ATOM 0 H GLU A 7 -4.622 15.005 2.093 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.502 12.288 2.605 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.096 13.831 3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.454 12.183 3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.478 11.479 1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.193 13.130 1.080 1.00 0.00 H new ATOM 110 N THR A 8 -7.014 13.097 4.353 1.00 0.00 N ATOM 111 CA THR A 8 -7.939 13.259 5.411 1.00 0.00 C ATOM 112 C THR A 8 -8.533 11.847 5.603 1.00 0.00 C ATOM 113 O THR A 8 -7.914 10.893 5.148 1.00 0.00 O ATOM 114 CB THR A 8 -9.001 14.285 4.881 1.00 0.00 C ATOM 115 OG1 THR A 8 -8.300 15.410 4.315 1.00 0.00 O ATOM 116 CG2 THR A 8 -9.908 14.811 5.970 1.00 0.00 C ATOM 0 H THR A 8 -7.432 12.639 3.543 1.00 0.00 H new ATOM 0 HA THR A 8 -7.538 13.628 6.355 1.00 0.00 H new ATOM 0 HB THR A 8 -9.620 13.764 4.150 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.948 16.062 3.976 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.620 15.516 5.541 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.448 13.981 6.426 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.310 15.316 6.729 1.00 0.00 H new ATOM 124 N GLU A 9 -9.643 11.697 6.283 1.00 0.00 N ATOM 125 CA GLU A 9 -10.313 10.400 6.367 1.00 0.00 C ATOM 126 C GLU A 9 -10.818 10.005 4.990 1.00 0.00 C ATOM 127 O GLU A 9 -11.358 10.839 4.261 1.00 0.00 O ATOM 128 CB GLU A 9 -11.477 10.462 7.344 1.00 0.00 C ATOM 129 CG GLU A 9 -11.068 10.613 8.794 1.00 0.00 C ATOM 130 CD GLU A 9 -12.235 10.971 9.662 1.00 0.00 C ATOM 131 OE1 GLU A 9 -12.481 12.179 9.866 1.00 0.00 O ATOM 132 OE2 GLU A 9 -12.951 10.062 10.130 1.00 0.00 O ATOM 0 H GLU A 9 -10.110 12.449 6.790 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.601 9.657 6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.120 11.299 7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.072 9.555 7.239 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.624 9.682 9.146 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.301 11.383 8.878 1.00 0.00 H new ATOM 139 N LEU A 10 -10.609 8.767 4.621 1.00 0.00 N ATOM 140 CA LEU A 10 -11.019 8.294 3.333 1.00 0.00 C ATOM 141 C LEU A 10 -11.795 7.012 3.523 1.00 0.00 C ATOM 142 O LEU A 10 -11.946 6.540 4.646 1.00 0.00 O ATOM 143 CB LEU A 10 -9.813 7.999 2.422 1.00 0.00 C ATOM 144 CG LEU A 10 -8.522 8.804 2.631 1.00 0.00 C ATOM 145 CD1 LEU A 10 -7.677 8.193 3.746 1.00 0.00 C ATOM 146 CD2 LEU A 10 -7.730 8.881 1.349 1.00 0.00 C ATOM 0 H LEU A 10 -10.152 8.066 5.204 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.624 9.068 2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.566 6.943 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.133 8.147 1.391 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.798 9.816 2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.768 8.780 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.246 8.194 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.413 7.169 3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.819 9.455 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.469 7.875 1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.329 9.369 0.580 1.00 0.00 H new ATOM 158 N THR A 11 -12.247 6.441 2.443 1.00 0.00 N ATOM 159 CA THR A 11 -12.988 5.220 2.493 1.00 0.00 C ATOM 160 C THR A 11 -12.062 4.065 2.158 1.00 0.00 C ATOM 161 O THR A 11 -10.902 4.287 1.792 1.00 0.00 O ATOM 162 CB THR A 11 -14.146 5.269 1.489 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.603 5.463 0.174 1.00 0.00 O ATOM 164 CG2 THR A 11 -15.078 6.424 1.807 1.00 0.00 C ATOM 0 H THR A 11 -12.110 6.812 1.503 1.00 0.00 H new ATOM 0 HA THR A 11 -13.398 5.082 3.493 1.00 0.00 H new ATOM 0 HB THR A 11 -14.707 4.336 1.545 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.332 5.495 -0.480 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.894 6.443 1.084 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.485 6.297 2.810 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.526 7.362 1.755 1.00 0.00 H new ATOM 172 N PHE A 12 -12.567 2.853 2.248 1.00 0.00 N ATOM 173 CA PHE A 12 -11.764 1.681 1.943 1.00 0.00 C ATOM 174 C PHE A 12 -11.376 1.667 0.460 1.00 0.00 C ATOM 175 O PHE A 12 -10.267 1.318 0.070 1.00 0.00 O ATOM 176 CB PHE A 12 -12.489 0.383 2.376 1.00 0.00 C ATOM 177 CG PHE A 12 -11.770 -0.901 2.031 1.00 0.00 C ATOM 178 CD1 PHE A 12 -12.381 -1.851 1.233 1.00 0.00 C ATOM 179 CD2 PHE A 12 -10.491 -1.155 2.496 1.00 0.00 C ATOM 180 CE1 PHE A 12 -11.736 -3.027 0.907 1.00 0.00 C ATOM 181 CE2 PHE A 12 -9.843 -2.327 2.170 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.462 -3.263 1.378 1.00 0.00 C ATOM 0 H PHE A 12 -13.526 2.651 2.529 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.840 1.730 2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.645 0.415 3.454 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.475 0.364 1.912 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.378 -1.670 0.859 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.996 -0.427 3.121 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.228 -3.760 0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.845 -2.510 2.539 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.952 -4.181 1.125 1.00 0.00 H new ATOM 192 N ASP A 13 -12.328 2.152 -0.320 1.00 0.00 N ATOM 193 CA ASP A 13 -12.151 2.381 -1.768 1.00 0.00 C ATOM 194 C ASP A 13 -11.076 3.419 -2.040 1.00 0.00 C ATOM 195 O ASP A 13 -10.220 3.232 -2.901 1.00 0.00 O ATOM 196 CB ASP A 13 -13.471 2.793 -2.452 1.00 0.00 C ATOM 197 CG ASP A 13 -14.468 1.657 -2.597 1.00 0.00 C ATOM 198 OD1 ASP A 13 -15.045 1.216 -1.588 1.00 0.00 O ATOM 199 OD2 ASP A 13 -14.721 1.192 -3.736 1.00 0.00 O ATOM 0 H ASP A 13 -13.255 2.403 0.023 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.831 1.431 -2.196 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.931 3.597 -1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.247 3.195 -3.440 1.00 0.00 H new ATOM 204 N GLN A 14 -11.066 4.466 -1.227 1.00 0.00 N ATOM 205 CA GLN A 14 -10.123 5.560 -1.413 1.00 0.00 C ATOM 206 C GLN A 14 -8.749 5.164 -0.949 1.00 0.00 C ATOM 207 O GLN A 14 -7.739 5.587 -1.501 1.00 0.00 O ATOM 208 CB GLN A 14 -10.581 6.843 -0.738 1.00 0.00 C ATOM 209 CG GLN A 14 -11.782 7.486 -1.380 1.00 0.00 C ATOM 210 CD GLN A 14 -11.477 8.021 -2.762 1.00 0.00 C ATOM 211 OE1 GLN A 14 -10.643 7.503 -3.485 1.00 0.00 O ATOM 212 NE2 GLN A 14 -12.112 9.067 -3.119 1.00 0.00 N ATOM 0 H GLN A 14 -11.698 4.581 -0.435 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.081 5.767 -2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.813 6.628 0.305 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.756 7.556 -0.741 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.590 6.757 -1.445 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.137 8.300 -0.748 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.805 9.481 -2.495 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.927 9.490 -4.028 1.00 0.00 H new ATOM 221 N VAL A 15 -8.710 4.379 0.104 1.00 0.00 N ATOM 222 CA VAL A 15 -7.472 3.952 0.674 1.00 0.00 C ATOM 223 C VAL A 15 -6.841 2.952 -0.224 1.00 0.00 C ATOM 224 O VAL A 15 -5.622 2.962 -0.418 1.00 0.00 O ATOM 225 CB VAL A 15 -7.602 3.437 2.115 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.310 2.779 2.520 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.846 4.601 3.042 1.00 0.00 C ATOM 0 H VAL A 15 -9.539 4.024 0.581 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.824 4.825 0.755 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.428 2.728 2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.394 2.411 3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.101 1.945 1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.498 3.504 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.939 4.238 4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.010 5.298 2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.766 5.110 2.753 1.00 0.00 H new ATOM 237 N LYS A 16 -7.641 2.096 -0.779 1.00 0.00 N ATOM 238 CA LYS A 16 -7.168 1.197 -1.760 1.00 0.00 C ATOM 239 C LYS A 16 -6.538 1.971 -2.881 1.00 0.00 C ATOM 240 O LYS A 16 -5.412 1.724 -3.230 1.00 0.00 O ATOM 241 CB LYS A 16 -8.295 0.318 -2.272 1.00 0.00 C ATOM 242 CG LYS A 16 -8.559 -0.932 -1.438 1.00 0.00 C ATOM 243 CD LYS A 16 -9.572 -1.868 -2.100 1.00 0.00 C ATOM 244 CE LYS A 16 -10.966 -1.257 -2.187 1.00 0.00 C ATOM 245 NZ LYS A 16 -11.912 -2.131 -2.916 1.00 0.00 N ATOM 0 H LYS A 16 -8.633 2.008 -0.560 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.418 0.543 -1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.209 0.910 -2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.065 0.015 -3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.622 -1.466 -1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.927 -0.639 -0.455 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.227 -2.120 -3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.622 -2.800 -1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.344 -1.073 -1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.907 -0.290 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.847 -1.677 -2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.566 -2.286 -3.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.989 -3.045 -2.425 1.00 0.00 H new ATOM 259 N GLU A 17 -7.233 2.951 -3.379 1.00 0.00 N ATOM 260 CA GLU A 17 -6.687 3.785 -4.404 1.00 0.00 C ATOM 261 C GLU A 17 -5.466 4.615 -4.009 1.00 0.00 C ATOM 262 O GLU A 17 -4.699 5.007 -4.887 1.00 0.00 O ATOM 263 CB GLU A 17 -7.733 4.585 -5.132 1.00 0.00 C ATOM 264 CG GLU A 17 -8.114 3.954 -6.465 1.00 0.00 C ATOM 265 CD GLU A 17 -8.564 2.512 -6.357 1.00 0.00 C ATOM 266 OE1 GLU A 17 -9.781 2.267 -6.386 1.00 0.00 O ATOM 267 OE2 GLU A 17 -7.711 1.594 -6.272 1.00 0.00 O ATOM 0 H GLU A 17 -8.181 3.191 -3.090 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.282 3.069 -5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.621 4.673 -4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.362 5.595 -5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.913 4.541 -6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.259 4.008 -7.138 1.00 0.00 H new ATOM 274 N GLN A 18 -5.250 4.880 -2.702 1.00 0.00 N ATOM 275 CA GLN A 18 -4.060 5.613 -2.316 1.00 0.00 C ATOM 276 C GLN A 18 -2.886 4.714 -2.540 1.00 0.00 C ATOM 277 O GLN A 18 -1.902 5.065 -3.189 1.00 0.00 O ATOM 278 CB GLN A 18 -4.123 6.226 -0.880 1.00 0.00 C ATOM 279 CG GLN A 18 -3.929 5.285 0.275 1.00 0.00 C ATOM 280 CD GLN A 18 -3.890 5.993 1.611 1.00 0.00 C ATOM 281 OE1 GLN A 18 -2.836 6.376 2.087 1.00 0.00 O ATOM 282 NE2 GLN A 18 -5.025 6.192 2.207 1.00 0.00 N ATOM 0 H GLN A 18 -5.865 4.604 -1.936 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.966 6.501 -2.941 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.365 7.006 -0.812 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.092 6.712 -0.762 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.737 4.553 0.281 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.000 4.733 0.135 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.890 5.858 1.781 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.052 6.682 3.101 1.00 0.00 H new ATOM 291 N LEU A 19 -3.042 3.543 -2.040 1.00 0.00 N ATOM 292 CA LEU A 19 -2.077 2.522 -2.078 1.00 0.00 C ATOM 293 C LEU A 19 -1.839 1.999 -3.486 1.00 0.00 C ATOM 294 O LEU A 19 -0.691 1.752 -3.869 1.00 0.00 O ATOM 295 CB LEU A 19 -2.525 1.455 -1.144 1.00 0.00 C ATOM 296 CG LEU A 19 -2.340 1.738 0.352 1.00 0.00 C ATOM 297 CD1 LEU A 19 -2.983 0.659 1.171 1.00 0.00 C ATOM 298 CD2 LEU A 19 -0.862 1.865 0.716 1.00 0.00 C ATOM 0 H LEU A 19 -3.900 3.261 -1.566 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.109 2.912 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.582 1.262 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.987 0.539 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.824 2.689 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.843 0.874 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.049 0.618 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.525 -0.301 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.766 2.065 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.346 0.936 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.417 2.685 0.151 1.00 0.00 H new ATOM 310 N THR A 20 -2.917 1.896 -4.255 1.00 0.00 N ATOM 311 CA THR A 20 -2.855 1.462 -5.638 1.00 0.00 C ATOM 312 C THR A 20 -1.925 2.376 -6.394 1.00 0.00 C ATOM 313 O THR A 20 -0.927 1.937 -6.951 1.00 0.00 O ATOM 314 CB THR A 20 -4.271 1.541 -6.305 1.00 0.00 C ATOM 315 OG1 THR A 20 -5.198 0.606 -5.724 1.00 0.00 O ATOM 316 CG2 THR A 20 -4.207 1.361 -7.823 1.00 0.00 C ATOM 0 H THR A 20 -3.860 2.113 -3.932 1.00 0.00 H new ATOM 0 HA THR A 20 -2.500 0.432 -5.666 1.00 0.00 H new ATOM 0 HB THR A 20 -4.641 2.546 -6.105 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.113 0.857 -5.969 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.212 1.424 -8.240 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.585 2.144 -8.256 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.778 0.387 -8.056 1.00 0.00 H new ATOM 324 N GLU A 21 -2.203 3.645 -6.287 1.00 0.00 N ATOM 325 CA GLU A 21 -1.512 4.692 -6.999 1.00 0.00 C ATOM 326 C GLU A 21 -0.040 4.730 -6.588 1.00 0.00 C ATOM 327 O GLU A 21 0.860 4.820 -7.421 1.00 0.00 O ATOM 328 CB GLU A 21 -2.250 5.975 -6.662 1.00 0.00 C ATOM 329 CG GLU A 21 -1.708 7.261 -7.226 1.00 0.00 C ATOM 330 CD GLU A 21 -2.581 8.425 -6.820 1.00 0.00 C ATOM 331 OE1 GLU A 21 -2.460 8.919 -5.676 1.00 0.00 O ATOM 332 OE2 GLU A 21 -3.427 8.861 -7.636 1.00 0.00 O ATOM 0 H GLU A 21 -2.944 3.995 -5.680 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.509 4.534 -8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.281 5.868 -7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.279 6.070 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.690 7.421 -6.870 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.660 7.197 -8.313 1.00 0.00 H new ATOM 339 N SER A 22 0.164 4.602 -5.310 1.00 0.00 N ATOM 340 CA SER A 22 1.502 4.638 -4.717 1.00 0.00 C ATOM 341 C SER A 22 2.341 3.463 -5.219 1.00 0.00 C ATOM 342 O SER A 22 3.478 3.640 -5.678 1.00 0.00 O ATOM 343 CB SER A 22 1.418 4.621 -3.187 1.00 0.00 C ATOM 344 OG SER A 22 0.629 5.710 -2.705 1.00 0.00 O ATOM 0 H SER A 22 -0.586 4.468 -4.632 1.00 0.00 H new ATOM 0 HA SER A 22 1.986 5.566 -5.023 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.985 3.678 -2.854 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.421 4.679 -2.764 1.00 0.00 H new ATOM 0 HG SER A 22 -0.303 5.422 -2.609 1.00 0.00 H new ATOM 350 N GLY A 23 1.754 2.272 -5.187 1.00 0.00 N ATOM 351 CA GLY A 23 2.418 1.083 -5.651 1.00 0.00 C ATOM 352 C GLY A 23 2.723 1.158 -7.121 1.00 0.00 C ATOM 353 O GLY A 23 3.737 0.682 -7.565 1.00 0.00 O ATOM 0 H GLY A 23 0.808 2.115 -4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.344 0.941 -5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.790 0.214 -5.453 1.00 0.00 H new ATOM 357 N LYS A 24 1.816 1.772 -7.855 1.00 0.00 N ATOM 358 CA LYS A 24 1.969 1.974 -9.283 1.00 0.00 C ATOM 359 C LYS A 24 3.122 2.909 -9.622 1.00 0.00 C ATOM 360 O LYS A 24 3.772 2.752 -10.652 1.00 0.00 O ATOM 361 CB LYS A 24 0.666 2.464 -9.859 1.00 0.00 C ATOM 362 CG LYS A 24 -0.445 1.414 -9.779 1.00 0.00 C ATOM 363 CD LYS A 24 -0.297 0.292 -10.822 1.00 0.00 C ATOM 364 CE LYS A 24 -0.468 0.820 -12.226 1.00 0.00 C ATOM 365 NZ LYS A 24 -0.108 -0.160 -13.278 1.00 0.00 N ATOM 0 H LYS A 24 0.947 2.147 -7.475 1.00 0.00 H new ATOM 0 HA LYS A 24 2.224 1.017 -9.737 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.352 3.361 -9.326 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.818 2.749 -10.900 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.450 0.975 -8.781 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.409 1.904 -9.916 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.684 -0.172 -10.723 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.037 -0.485 -10.631 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.505 1.126 -12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.147 1.712 -12.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.693 0.006 -14.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.896 -0.050 -13.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.274 -1.124 -12.926 1.00 0.00 H new ATOM 379 N LYS A 25 3.385 3.873 -8.755 1.00 0.00 N ATOM 380 CA LYS A 25 4.482 4.807 -8.943 1.00 0.00 C ATOM 381 C LYS A 25 5.812 4.149 -8.653 1.00 0.00 C ATOM 382 O LYS A 25 6.831 4.459 -9.272 1.00 0.00 O ATOM 383 CB LYS A 25 4.306 6.017 -8.026 1.00 0.00 C ATOM 384 CG LYS A 25 3.083 6.861 -8.337 1.00 0.00 C ATOM 385 CD LYS A 25 2.919 8.026 -7.364 1.00 0.00 C ATOM 386 CE LYS A 25 4.085 9.013 -7.432 1.00 0.00 C ATOM 387 NZ LYS A 25 4.224 9.637 -8.763 1.00 0.00 N ATOM 0 H LYS A 25 2.846 4.030 -7.904 1.00 0.00 H new ATOM 0 HA LYS A 25 4.471 5.131 -9.984 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.242 5.671 -6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.194 6.645 -8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.160 7.248 -9.353 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.193 6.233 -8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.989 8.551 -7.584 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.834 7.638 -6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.941 9.792 -6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.010 8.495 -7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.925 10.404 -8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.538 8.923 -9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.307 10.025 -9.062 1.00 0.00 H new ATOM 401 N ARG A 26 5.802 3.278 -7.685 1.00 0.00 N ATOM 402 CA ARG A 26 7.009 2.618 -7.250 1.00 0.00 C ATOM 403 C ARG A 26 7.306 1.375 -8.058 1.00 0.00 C ATOM 404 O ARG A 26 8.378 1.217 -8.653 1.00 0.00 O ATOM 405 CB ARG A 26 6.883 2.193 -5.811 1.00 0.00 C ATOM 406 CG ARG A 26 6.537 3.273 -4.822 1.00 0.00 C ATOM 407 CD ARG A 26 6.436 2.632 -3.477 1.00 0.00 C ATOM 408 NE ARG A 26 5.942 3.489 -2.428 1.00 0.00 N ATOM 409 CZ ARG A 26 5.671 3.018 -1.217 1.00 0.00 C ATOM 410 NH1 ARG A 26 6.017 1.760 -0.909 1.00 0.00 N ATOM 411 NH2 ARG A 26 5.103 3.781 -0.299 1.00 0.00 N ATOM 0 H ARG A 26 4.963 3.003 -7.174 1.00 0.00 H new ATOM 0 HA ARG A 26 7.816 3.339 -7.383 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.120 1.417 -5.750 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.826 1.739 -5.505 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.301 4.051 -4.820 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.595 3.752 -5.091 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.782 1.763 -3.554 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.422 2.265 -3.191 1.00 0.00 H new ATOM 0 HE ARG A 26 5.797 4.480 -2.621 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.484 1.175 -1.602 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.814 1.388 0.019 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.866 4.749 -0.516 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.902 3.402 0.626 1.00 0.00 H new ATOM 425 N GLY A 27 6.312 0.521 -8.082 1.00 0.00 N ATOM 426 CA GLY A 27 6.384 -0.778 -8.665 1.00 0.00 C ATOM 427 C GLY A 27 6.303 -1.819 -7.592 1.00 0.00 C ATOM 428 O GLY A 27 6.284 -3.024 -7.863 1.00 0.00 O ATOM 0 H GLY A 27 5.399 0.729 -7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.570 -0.913 -9.378 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.316 -0.887 -9.221 1.00 0.00 H new ATOM 432 N VAL A 28 6.189 -1.358 -6.365 1.00 0.00 N ATOM 433 CA VAL A 28 6.232 -2.222 -5.232 1.00 0.00 C ATOM 434 C VAL A 28 5.596 -1.543 -4.024 1.00 0.00 C ATOM 435 O VAL A 28 5.445 -0.318 -4.001 1.00 0.00 O ATOM 436 CB VAL A 28 7.704 -2.573 -4.923 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.484 -1.375 -4.425 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.816 -3.725 -3.998 1.00 0.00 C ATOM 0 H VAL A 28 6.064 -0.372 -6.137 1.00 0.00 H new ATOM 0 HA VAL A 28 5.673 -3.132 -5.450 1.00 0.00 H new ATOM 0 HB VAL A 28 8.158 -2.875 -5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.513 -1.670 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.474 -0.593 -5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.027 -0.998 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.868 -3.938 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.318 -3.487 -3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.344 -4.599 -4.447 1.00 0.00 H new ATOM 448 N LEU A 29 5.183 -2.353 -3.086 1.00 0.00 N ATOM 449 CA LEU A 29 4.655 -1.935 -1.819 1.00 0.00 C ATOM 450 C LEU A 29 4.997 -2.995 -0.783 1.00 0.00 C ATOM 451 O LEU A 29 4.964 -4.185 -1.101 1.00 0.00 O ATOM 452 CB LEU A 29 3.131 -1.814 -1.872 1.00 0.00 C ATOM 453 CG LEU A 29 2.511 -0.615 -2.587 1.00 0.00 C ATOM 454 CD1 LEU A 29 1.010 -0.794 -2.668 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.814 0.665 -1.839 1.00 0.00 C ATOM 0 H LEU A 29 5.207 -3.367 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 29 5.085 -0.966 -1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.745 -2.716 -2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.765 -1.811 -0.845 1.00 0.00 H new ATOM 0 HG LEU A 29 2.936 -0.552 -3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.569 0.062 -3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.782 -1.704 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.598 -0.869 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.364 1.508 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.403 0.604 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.893 0.807 -1.783 1.00 0.00 H new ATOM 467 N THR A 30 5.379 -2.590 0.406 1.00 0.00 N ATOM 468 CA THR A 30 5.532 -3.537 1.494 1.00 0.00 C ATOM 469 C THR A 30 4.149 -3.937 2.031 1.00 0.00 C ATOM 470 O THR A 30 3.254 -3.090 2.132 1.00 0.00 O ATOM 471 CB THR A 30 6.391 -2.992 2.678 1.00 0.00 C ATOM 472 OG1 THR A 30 5.951 -1.707 3.116 1.00 0.00 O ATOM 473 CG2 THR A 30 7.863 -2.949 2.360 1.00 0.00 C ATOM 0 H THR A 30 5.589 -1.621 0.647 1.00 0.00 H new ATOM 0 HA THR A 30 6.059 -4.396 1.079 1.00 0.00 H new ATOM 0 HB THR A 30 6.246 -3.703 3.491 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.139 -1.042 2.421 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.410 -2.562 3.220 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.215 -3.954 2.129 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.031 -2.300 1.501 1.00 0.00 H new ATOM 481 N TYR A 31 3.982 -5.211 2.373 1.00 0.00 N ATOM 482 CA TYR A 31 2.721 -5.727 2.925 1.00 0.00 C ATOM 483 C TYR A 31 2.252 -4.922 4.134 1.00 0.00 C ATOM 484 O TYR A 31 1.079 -4.583 4.254 1.00 0.00 O ATOM 485 CB TYR A 31 2.843 -7.204 3.337 1.00 0.00 C ATOM 486 CG TYR A 31 2.895 -8.211 2.207 1.00 0.00 C ATOM 487 CD1 TYR A 31 4.065 -8.866 1.877 1.00 0.00 C ATOM 488 CD2 TYR A 31 1.759 -8.516 1.491 1.00 0.00 C ATOM 489 CE1 TYR A 31 4.103 -9.796 0.862 1.00 0.00 C ATOM 490 CE2 TYR A 31 1.780 -9.439 0.474 1.00 0.00 C ATOM 491 CZ TYR A 31 2.951 -10.080 0.160 1.00 0.00 C ATOM 492 OH TYR A 31 2.966 -11.016 -0.853 1.00 0.00 O ATOM 0 H TYR A 31 4.711 -5.918 2.278 1.00 0.00 H new ATOM 0 HA TYR A 31 1.986 -5.632 2.126 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.744 -7.318 3.940 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.997 -7.452 3.978 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.968 -8.645 2.426 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.832 -8.019 1.734 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.027 -10.299 0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.877 -9.659 -0.077 1.00 0.00 H new ATOM 0 HH TYR A 31 2.069 -11.093 -1.241 1.00 0.00 H new ATOM 502 N GLU A 32 3.182 -4.572 4.997 1.00 0.00 N ATOM 503 CA GLU A 32 2.832 -3.898 6.225 1.00 0.00 C ATOM 504 C GLU A 32 2.349 -2.462 5.999 1.00 0.00 C ATOM 505 O GLU A 32 1.442 -1.998 6.692 1.00 0.00 O ATOM 506 CB GLU A 32 3.974 -3.926 7.230 1.00 0.00 C ATOM 507 CG GLU A 32 3.576 -3.361 8.579 1.00 0.00 C ATOM 508 CD GLU A 32 4.680 -3.384 9.570 1.00 0.00 C ATOM 509 OE1 GLU A 32 4.921 -4.440 10.179 1.00 0.00 O ATOM 510 OE2 GLU A 32 5.319 -2.348 9.785 1.00 0.00 O ATOM 0 H GLU A 32 4.180 -4.742 4.871 1.00 0.00 H new ATOM 0 HA GLU A 32 1.994 -4.457 6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.317 -4.953 7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.815 -3.356 6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.234 -2.334 8.449 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.733 -3.931 8.970 1.00 0.00 H new ATOM 517 N GLU A 33 2.891 -1.767 5.001 1.00 0.00 N ATOM 518 CA GLU A 33 2.509 -0.375 4.815 1.00 0.00 C ATOM 519 C GLU A 33 1.116 -0.319 4.216 1.00 0.00 C ATOM 520 O GLU A 33 0.388 0.673 4.360 1.00 0.00 O ATOM 521 CB GLU A 33 3.516 0.393 3.957 1.00 0.00 C ATOM 522 CG GLU A 33 3.477 0.092 2.475 1.00 0.00 C ATOM 523 CD GLU A 33 4.561 0.808 1.745 1.00 0.00 C ATOM 524 OE1 GLU A 33 5.498 0.142 1.238 1.00 0.00 O ATOM 525 OE2 GLU A 33 4.540 2.051 1.694 1.00 0.00 O ATOM 0 H GLU A 33 3.571 -2.130 4.333 1.00 0.00 H new ATOM 0 HA GLU A 33 2.506 0.116 5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.346 1.460 4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.519 0.179 4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.578 -0.982 2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.509 0.384 2.069 1.00 0.00 H new ATOM 532 N ILE A 34 0.750 -1.407 3.573 1.00 0.00 N ATOM 533 CA ILE A 34 -0.550 -1.577 3.008 1.00 0.00 C ATOM 534 C ILE A 34 -1.560 -1.770 4.117 1.00 0.00 C ATOM 535 O ILE A 34 -2.623 -1.134 4.122 1.00 0.00 O ATOM 536 CB ILE A 34 -0.577 -2.771 2.038 1.00 0.00 C ATOM 537 CG1 ILE A 34 0.358 -2.488 0.864 1.00 0.00 C ATOM 538 CG2 ILE A 34 -1.996 -3.045 1.556 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.516 -3.636 -0.090 1.00 0.00 C ATOM 0 H ILE A 34 1.367 -2.207 3.432 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.807 -0.683 2.440 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.232 -3.665 2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.018 -1.624 0.316 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.339 -2.217 1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.990 -3.893 0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.633 -3.273 2.411 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.381 -2.165 1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.196 -3.351 -0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.923 -4.497 0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.455 -3.895 -0.511 1.00 0.00 H new ATOM 551 N ALA A 35 -1.184 -2.562 5.134 1.00 0.00 N ATOM 552 CA ALA A 35 -2.017 -2.866 6.272 1.00 0.00 C ATOM 553 C ALA A 35 -2.256 -1.628 7.114 1.00 0.00 C ATOM 554 O ALA A 35 -3.290 -1.488 7.749 1.00 0.00 O ATOM 555 CB ALA A 35 -1.395 -3.975 7.105 1.00 0.00 C ATOM 0 H ALA A 35 -0.269 -3.011 5.173 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.983 -3.213 5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.036 -4.192 7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.288 -4.872 6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.414 -3.658 7.459 1.00 0.00 H new ATOM 561 N GLU A 36 -1.289 -0.711 7.070 1.00 0.00 N ATOM 562 CA GLU A 36 -1.289 0.493 7.886 1.00 0.00 C ATOM 563 C GLU A 36 -2.513 1.342 7.604 1.00 0.00 C ATOM 564 O GLU A 36 -3.265 1.698 8.500 1.00 0.00 O ATOM 565 CB GLU A 36 -0.050 1.329 7.578 1.00 0.00 C ATOM 566 CG GLU A 36 0.083 2.575 8.439 1.00 0.00 C ATOM 567 CD GLU A 36 1.043 3.571 7.864 1.00 0.00 C ATOM 568 OE1 GLU A 36 0.621 4.704 7.557 1.00 0.00 O ATOM 569 OE2 GLU A 36 2.221 3.237 7.649 1.00 0.00 O ATOM 0 H GLU A 36 -0.477 -0.789 6.458 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.294 0.184 8.931 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.837 0.710 7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.075 1.625 6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.896 3.042 8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.416 2.289 9.437 1.00 0.00 H new ATOM 576 N ARG A 37 -2.725 1.646 6.341 1.00 0.00 N ATOM 577 CA ARG A 37 -3.821 2.498 5.944 1.00 0.00 C ATOM 578 C ARG A 37 -5.148 1.761 6.098 1.00 0.00 C ATOM 579 O ARG A 37 -6.190 2.370 6.294 1.00 0.00 O ATOM 580 CB ARG A 37 -3.602 2.975 4.505 1.00 0.00 C ATOM 581 CG ARG A 37 -2.224 3.593 4.273 1.00 0.00 C ATOM 582 CD ARG A 37 -2.030 4.889 5.061 1.00 0.00 C ATOM 583 NE ARG A 37 -0.613 5.253 5.198 1.00 0.00 N ATOM 584 CZ ARG A 37 0.059 6.157 4.474 1.00 0.00 C ATOM 585 NH1 ARG A 37 -0.513 6.789 3.454 1.00 0.00 N ATOM 586 NH2 ARG A 37 1.329 6.397 4.757 1.00 0.00 N ATOM 0 H ARG A 37 -2.148 1.312 5.569 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.858 3.374 6.592 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.733 2.132 3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.368 3.708 4.253 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.454 2.877 4.560 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.092 3.794 3.210 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.564 5.698 4.562 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.472 4.779 6.051 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.085 4.765 5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.483 6.589 3.209 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.018 7.474 2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.785 5.896 5.519 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.852 7.083 4.213 1.00 0.00 H new ATOM 600 N MET A 38 -5.088 0.438 6.075 1.00 0.00 N ATOM 601 CA MET A 38 -6.286 -0.372 6.233 1.00 0.00 C ATOM 602 C MET A 38 -6.602 -0.582 7.698 1.00 0.00 C ATOM 603 O MET A 38 -7.651 -1.115 8.045 1.00 0.00 O ATOM 604 CB MET A 38 -6.151 -1.728 5.550 1.00 0.00 C ATOM 605 CG MET A 38 -5.831 -1.651 4.082 1.00 0.00 C ATOM 606 SD MET A 38 -7.068 -0.744 3.154 1.00 0.00 S ATOM 607 CE MET A 38 -6.435 -0.952 1.503 1.00 0.00 C ATOM 0 H MET A 38 -4.227 -0.095 5.949 1.00 0.00 H new ATOM 0 HA MET A 38 -7.100 0.174 5.757 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.369 -2.298 6.051 1.00 0.00 H new ATOM 0 HB3 MET A 38 -7.081 -2.281 5.679 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.860 -1.173 3.950 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.747 -2.660 3.679 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.616 -0.045 0.927 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.363 -1.147 1.546 1.00 0.00 H new ATOM 0 HE3 MET A 38 -6.938 -1.792 1.024 1.00 0.00 H new ATOM 617 N SER A 39 -5.708 -0.135 8.561 1.00 0.00 N ATOM 618 CA SER A 39 -5.859 -0.297 9.986 1.00 0.00 C ATOM 619 C SER A 39 -6.899 0.710 10.517 1.00 0.00 C ATOM 620 O SER A 39 -7.370 0.602 11.651 1.00 0.00 O ATOM 621 CB SER A 39 -4.488 -0.135 10.669 1.00 0.00 C ATOM 622 OG SER A 39 -4.504 -0.568 12.014 1.00 0.00 O ATOM 0 H SER A 39 -4.855 0.352 8.287 1.00 0.00 H new ATOM 0 HA SER A 39 -6.227 -1.297 10.216 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.740 -0.703 10.116 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.187 0.912 10.630 1.00 0.00 H new ATOM 0 HG SER A 39 -3.614 -0.448 12.407 1.00 0.00 H new ATOM 628 N SER A 40 -7.251 1.686 9.678 1.00 0.00 N ATOM 629 CA SER A 40 -8.311 2.620 9.984 1.00 0.00 C ATOM 630 C SER A 40 -9.665 1.884 9.859 1.00 0.00 C ATOM 631 O SER A 40 -10.666 2.243 10.489 1.00 0.00 O ATOM 632 CB SER A 40 -8.239 3.789 8.998 1.00 0.00 C ATOM 633 OG SER A 40 -6.927 4.364 8.988 1.00 0.00 O ATOM 0 H SER A 40 -6.805 1.842 8.774 1.00 0.00 H new ATOM 0 HA SER A 40 -8.208 3.008 10.997 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.497 3.443 7.997 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.972 4.548 9.272 1.00 0.00 H new ATOM 0 HG SER A 40 -6.901 5.108 8.351 1.00 0.00 H new ATOM 639 N PHE A 41 -9.664 0.850 9.041 1.00 0.00 N ATOM 640 CA PHE A 41 -10.815 0.001 8.823 1.00 0.00 C ATOM 641 C PHE A 41 -10.561 -1.304 9.553 1.00 0.00 C ATOM 642 O PHE A 41 -9.609 -1.410 10.321 1.00 0.00 O ATOM 643 CB PHE A 41 -10.942 -0.298 7.322 1.00 0.00 C ATOM 644 CG PHE A 41 -10.793 0.908 6.479 1.00 0.00 C ATOM 645 CD1 PHE A 41 -9.713 1.024 5.646 1.00 0.00 C ATOM 646 CD2 PHE A 41 -11.695 1.948 6.559 1.00 0.00 C ATOM 647 CE1 PHE A 41 -9.523 2.147 4.906 1.00 0.00 C ATOM 648 CE2 PHE A 41 -11.516 3.080 5.809 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.426 3.178 4.985 1.00 0.00 C ATOM 0 H PHE A 41 -8.846 0.572 8.499 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.724 0.485 9.180 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.186 -1.029 7.037 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.914 -0.752 7.128 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -9.003 0.213 5.576 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -12.548 1.869 7.217 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.664 2.229 4.257 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.229 3.889 5.867 1.00 0.00 H new ATOM 0 HZ PHE A 41 -10.276 4.070 4.395 1.00 0.00 H new ATOM 659 N GLU A 42 -11.398 -2.264 9.340 1.00 0.00 N ATOM 660 CA GLU A 42 -11.189 -3.587 9.863 1.00 0.00 C ATOM 661 C GLU A 42 -11.185 -4.534 8.683 1.00 0.00 C ATOM 662 O GLU A 42 -12.240 -4.944 8.188 1.00 0.00 O ATOM 663 CB GLU A 42 -12.277 -3.960 10.864 1.00 0.00 C ATOM 664 CG GLU A 42 -12.381 -2.993 12.032 1.00 0.00 C ATOM 665 CD GLU A 42 -13.481 -3.350 12.979 1.00 0.00 C ATOM 666 OE1 GLU A 42 -14.642 -2.924 12.745 1.00 0.00 O ATOM 667 OE2 GLU A 42 -13.220 -4.052 13.978 1.00 0.00 O ATOM 0 H GLU A 42 -12.254 -2.159 8.795 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.243 -3.642 10.401 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.236 -4.000 10.348 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.080 -4.961 11.247 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.434 -2.977 12.571 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.548 -1.986 11.651 1.00 0.00 H new ATOM 674 N ILE A 43 -10.020 -4.771 8.156 1.00 0.00 N ATOM 675 CA ILE A 43 -9.865 -5.575 6.982 1.00 0.00 C ATOM 676 C ILE A 43 -9.163 -6.854 7.331 1.00 0.00 C ATOM 677 O ILE A 43 -8.051 -6.843 7.852 1.00 0.00 O ATOM 678 CB ILE A 43 -9.041 -4.823 5.920 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.642 -3.455 5.659 1.00 0.00 C ATOM 680 CG2 ILE A 43 -8.937 -5.621 4.623 1.00 0.00 C ATOM 681 CD1 ILE A 43 -11.020 -3.507 5.064 1.00 0.00 C ATOM 0 H ILE A 43 -9.144 -4.408 8.533 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.854 -5.793 6.580 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.031 -4.695 6.309 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.681 -2.900 6.596 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.986 -2.901 4.987 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.349 -5.060 3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.452 -6.577 4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.936 -5.797 4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.386 -2.493 4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.985 -4.034 4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.690 -4.032 5.744 1.00 0.00 H new ATOM 693 N GLU A 44 -9.813 -7.934 7.035 1.00 0.00 N ATOM 694 CA GLU A 44 -9.285 -9.260 7.276 1.00 0.00 C ATOM 695 C GLU A 44 -8.141 -9.527 6.309 1.00 0.00 C ATOM 696 O GLU A 44 -8.110 -8.959 5.205 1.00 0.00 O ATOM 697 CB GLU A 44 -10.381 -10.308 7.059 1.00 0.00 C ATOM 698 CG GLU A 44 -11.587 -10.146 7.958 1.00 0.00 C ATOM 699 CD GLU A 44 -12.698 -11.111 7.624 1.00 0.00 C ATOM 700 OE1 GLU A 44 -12.540 -12.331 7.845 1.00 0.00 O ATOM 701 OE2 GLU A 44 -13.758 -10.669 7.166 1.00 0.00 O ATOM 0 H GLU A 44 -10.741 -7.931 6.612 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.927 -9.322 8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.709 -10.264 6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.956 -11.299 7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.284 -10.292 8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.961 -9.126 7.876 1.00 0.00 H new ATOM 708 N SER A 45 -7.239 -10.402 6.695 1.00 0.00 N ATOM 709 CA SER A 45 -6.101 -10.768 5.872 1.00 0.00 C ATOM 710 C SER A 45 -6.597 -11.440 4.579 1.00 0.00 C ATOM 711 O SER A 45 -5.951 -11.371 3.530 1.00 0.00 O ATOM 712 CB SER A 45 -5.159 -11.699 6.660 1.00 0.00 C ATOM 713 OG SER A 45 -3.946 -11.934 5.959 1.00 0.00 O ATOM 0 H SER A 45 -7.272 -10.884 7.593 1.00 0.00 H new ATOM 0 HA SER A 45 -5.539 -9.874 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.938 -11.256 7.631 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.660 -12.648 6.849 1.00 0.00 H new ATOM 0 HG SER A 45 -3.372 -12.527 6.488 1.00 0.00 H new ATOM 719 N ASP A 46 -7.775 -12.049 4.666 1.00 0.00 N ATOM 720 CA ASP A 46 -8.435 -12.669 3.522 1.00 0.00 C ATOM 721 C ASP A 46 -8.742 -11.611 2.487 1.00 0.00 C ATOM 722 O ASP A 46 -8.456 -11.779 1.307 1.00 0.00 O ATOM 723 CB ASP A 46 -9.743 -13.346 3.954 1.00 0.00 C ATOM 724 CG ASP A 46 -9.537 -14.481 4.924 1.00 0.00 C ATOM 725 OD1 ASP A 46 -9.622 -15.664 4.515 1.00 0.00 O ATOM 726 OD2 ASP A 46 -9.273 -14.217 6.118 1.00 0.00 O ATOM 0 H ASP A 46 -8.301 -12.127 5.536 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.770 -13.423 3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.395 -12.602 4.410 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.258 -13.722 3.070 1.00 0.00 H new ATOM 731 N GLN A 47 -9.267 -10.485 2.960 1.00 0.00 N ATOM 732 CA GLN A 47 -9.626 -9.373 2.090 1.00 0.00 C ATOM 733 C GLN A 47 -8.364 -8.694 1.600 1.00 0.00 C ATOM 734 O GLN A 47 -8.298 -8.204 0.476 1.00 0.00 O ATOM 735 CB GLN A 47 -10.449 -8.344 2.838 1.00 0.00 C ATOM 736 CG GLN A 47 -11.641 -8.890 3.584 1.00 0.00 C ATOM 737 CD GLN A 47 -12.451 -7.791 4.244 1.00 0.00 C ATOM 738 OE1 GLN A 47 -12.539 -6.657 3.602 1.00 0.00 O flip ATOM 739 NE2 GLN A 47 -13.031 -7.984 5.307 1.00 0.00 N flip ATOM 0 H GLN A 47 -9.454 -10.319 3.949 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.208 -9.768 1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.801 -7.831 3.548 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.798 -7.595 2.127 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -12.277 -9.445 2.894 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.302 -9.596 4.342 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.940 -8.882 5.782 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.604 -7.246 5.716 1.00 0.00 H new ATOM 748 N MET A 48 -7.364 -8.640 2.471 1.00 0.00 N ATOM 749 CA MET A 48 -6.082 -8.067 2.115 1.00 0.00 C ATOM 750 C MET A 48 -5.469 -8.771 0.917 1.00 0.00 C ATOM 751 O MET A 48 -4.955 -8.114 0.026 1.00 0.00 O ATOM 752 CB MET A 48 -5.100 -8.026 3.297 1.00 0.00 C ATOM 753 CG MET A 48 -5.390 -6.949 4.352 1.00 0.00 C ATOM 754 SD MET A 48 -4.763 -5.274 3.944 1.00 0.00 S ATOM 755 CE MET A 48 -5.551 -4.870 2.386 1.00 0.00 C ATOM 0 H MET A 48 -7.421 -8.988 3.428 1.00 0.00 H new ATOM 0 HA MET A 48 -6.278 -7.032 1.834 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.104 -9.000 3.785 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.094 -7.869 2.907 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.468 -6.890 4.502 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.953 -7.263 5.300 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.362 -3.824 2.143 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.146 -5.505 1.598 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.625 -5.034 2.468 1.00 0.00 H new ATOM 765 N ASP A 49 -5.564 -10.108 0.875 1.00 0.00 N ATOM 766 CA ASP A 49 -5.044 -10.880 -0.278 1.00 0.00 C ATOM 767 C ASP A 49 -5.769 -10.514 -1.536 1.00 0.00 C ATOM 768 O ASP A 49 -5.162 -10.438 -2.605 1.00 0.00 O ATOM 769 CB ASP A 49 -5.127 -12.385 -0.071 1.00 0.00 C ATOM 770 CG ASP A 49 -4.600 -13.163 -1.279 1.00 0.00 C ATOM 771 OD1 ASP A 49 -5.412 -13.675 -2.079 1.00 0.00 O ATOM 772 OD2 ASP A 49 -3.364 -13.282 -1.450 1.00 0.00 O ATOM 0 H ASP A 49 -5.987 -10.675 1.609 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.990 -10.615 -0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.555 -12.661 0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.163 -12.668 0.118 1.00 0.00 H new ATOM 777 N GLU A 50 -7.059 -10.244 -1.409 1.00 0.00 N ATOM 778 CA GLU A 50 -7.848 -9.829 -2.545 1.00 0.00 C ATOM 779 C GLU A 50 -7.259 -8.543 -3.118 1.00 0.00 C ATOM 780 O GLU A 50 -7.114 -8.397 -4.337 1.00 0.00 O ATOM 781 CB GLU A 50 -9.316 -9.607 -2.173 1.00 0.00 C ATOM 782 CG GLU A 50 -10.002 -10.811 -1.569 1.00 0.00 C ATOM 783 CD GLU A 50 -11.464 -10.562 -1.304 1.00 0.00 C ATOM 784 OE1 GLU A 50 -12.311 -11.026 -2.102 1.00 0.00 O ATOM 785 OE2 GLU A 50 -11.804 -9.917 -0.288 1.00 0.00 O ATOM 0 H GLU A 50 -7.575 -10.306 -0.531 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.818 -10.625 -3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.377 -8.779 -1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.862 -9.305 -3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.897 -11.662 -2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.506 -11.079 -0.636 1.00 0.00 H new ATOM 792 N TYR A 51 -6.895 -7.633 -2.230 1.00 0.00 N ATOM 793 CA TYR A 51 -6.267 -6.396 -2.629 1.00 0.00 C ATOM 794 C TYR A 51 -4.854 -6.668 -3.159 1.00 0.00 C ATOM 795 O TYR A 51 -4.436 -6.048 -4.130 1.00 0.00 O ATOM 796 CB TYR A 51 -6.271 -5.382 -1.499 1.00 0.00 C ATOM 797 CG TYR A 51 -5.682 -4.050 -1.888 1.00 0.00 C ATOM 798 CD1 TYR A 51 -4.767 -3.416 -1.065 1.00 0.00 C ATOM 799 CD2 TYR A 51 -6.015 -3.440 -3.103 1.00 0.00 C ATOM 800 CE1 TYR A 51 -4.204 -2.219 -1.429 1.00 0.00 C ATOM 801 CE2 TYR A 51 -5.455 -2.245 -3.458 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.556 -1.643 -2.620 1.00 0.00 C ATOM 803 OH TYR A 51 -3.981 -0.487 -2.987 1.00 0.00 O ATOM 0 H TYR A 51 -7.027 -7.734 -1.224 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.848 -5.956 -3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.296 -5.232 -1.159 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.711 -5.786 -0.656 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.493 -3.870 -0.124 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.721 -3.918 -3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.489 -1.735 -0.781 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.721 -1.778 -4.395 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.674 0.152 -3.256 1.00 0.00 H new ATOM 813 N TYR A 52 -4.121 -7.588 -2.541 1.00 0.00 N ATOM 814 CA TYR A 52 -2.752 -7.905 -2.960 1.00 0.00 C ATOM 815 C TYR A 52 -2.717 -8.430 -4.369 1.00 0.00 C ATOM 816 O TYR A 52 -1.901 -7.999 -5.187 1.00 0.00 O ATOM 817 CB TYR A 52 -2.035 -8.883 -2.005 1.00 0.00 C ATOM 818 CG TYR A 52 -1.809 -8.345 -0.610 1.00 0.00 C ATOM 819 CD1 TYR A 52 -1.383 -7.047 -0.416 1.00 0.00 C ATOM 820 CD2 TYR A 52 -2.017 -9.136 0.511 1.00 0.00 C ATOM 821 CE1 TYR A 52 -1.179 -6.549 0.841 1.00 0.00 C ATOM 822 CE2 TYR A 52 -1.813 -8.642 1.782 1.00 0.00 C ATOM 823 CZ TYR A 52 -1.396 -7.344 1.941 1.00 0.00 C ATOM 824 OH TYR A 52 -1.195 -6.836 3.198 1.00 0.00 O ATOM 0 H TYR A 52 -4.450 -8.132 -1.744 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.204 -6.963 -2.920 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.621 -9.799 -1.937 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.071 -9.152 -2.437 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.208 -6.413 -1.272 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.345 -10.157 0.386 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.847 -5.529 0.970 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.980 -9.270 2.644 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.394 -7.526 3.865 1.00 0.00 H new ATOM 834 N GLU A 53 -3.639 -9.330 -4.666 1.00 0.00 N ATOM 835 CA GLU A 53 -3.747 -9.903 -5.975 1.00 0.00 C ATOM 836 C GLU A 53 -4.118 -8.823 -6.978 1.00 0.00 C ATOM 837 O GLU A 53 -3.567 -8.783 -8.072 1.00 0.00 O ATOM 838 CB GLU A 53 -4.767 -11.028 -5.971 1.00 0.00 C ATOM 839 CG GLU A 53 -4.768 -11.863 -7.231 1.00 0.00 C ATOM 840 CD GLU A 53 -5.727 -13.010 -7.151 1.00 0.00 C ATOM 841 OE1 GLU A 53 -5.603 -13.840 -6.220 1.00 0.00 O ATOM 842 OE2 GLU A 53 -6.589 -13.142 -8.033 1.00 0.00 O ATOM 0 H GLU A 53 -4.328 -9.677 -3.999 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.786 -10.326 -6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.573 -11.677 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.761 -10.603 -5.829 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.028 -11.233 -8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.763 -12.244 -7.413 1.00 0.00 H new ATOM 849 N PHE A 54 -5.003 -7.918 -6.556 1.00 0.00 N ATOM 850 CA PHE A 54 -5.405 -6.783 -7.356 1.00 0.00 C ATOM 851 C PHE A 54 -4.176 -5.946 -7.719 1.00 0.00 C ATOM 852 O PHE A 54 -3.952 -5.618 -8.885 1.00 0.00 O ATOM 853 CB PHE A 54 -6.431 -5.932 -6.574 1.00 0.00 C ATOM 854 CG PHE A 54 -6.659 -4.568 -7.149 1.00 0.00 C ATOM 855 CD1 PHE A 54 -7.590 -4.351 -8.138 1.00 0.00 C ATOM 856 CD2 PHE A 54 -5.905 -3.504 -6.697 1.00 0.00 C ATOM 857 CE1 PHE A 54 -7.762 -3.089 -8.665 1.00 0.00 C ATOM 858 CE2 PHE A 54 -6.067 -2.255 -7.210 1.00 0.00 C ATOM 859 CZ PHE A 54 -6.992 -2.041 -8.194 1.00 0.00 C ATOM 0 H PHE A 54 -5.457 -7.961 -5.644 1.00 0.00 H new ATOM 0 HA PHE A 54 -5.872 -7.133 -8.277 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.381 -6.465 -6.544 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.091 -5.828 -5.544 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.189 -5.173 -8.503 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.172 -3.667 -5.921 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.494 -2.920 -9.441 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.468 -1.436 -6.842 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.122 -1.051 -8.605 1.00 0.00 H new ATOM 869 N LEU A 55 -3.396 -5.604 -6.705 1.00 0.00 N ATOM 870 CA LEU A 55 -2.179 -4.824 -6.871 1.00 0.00 C ATOM 871 C LEU A 55 -1.218 -5.489 -7.842 1.00 0.00 C ATOM 872 O LEU A 55 -0.654 -4.841 -8.739 1.00 0.00 O ATOM 873 CB LEU A 55 -1.509 -4.594 -5.527 1.00 0.00 C ATOM 874 CG LEU A 55 -2.216 -3.635 -4.591 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.536 -3.637 -3.240 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.203 -2.230 -5.181 1.00 0.00 C ATOM 0 H LEU A 55 -3.591 -5.862 -5.737 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.457 -3.858 -7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.409 -5.555 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.500 -4.221 -5.705 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.250 -3.957 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.050 -2.945 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.569 -4.641 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.498 -3.326 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.713 -1.546 -4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.172 -1.903 -5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.714 -2.235 -6.144 1.00 0.00 H new ATOM 888 N GLY A 56 -1.062 -6.791 -7.653 1.00 0.00 N ATOM 889 CA GLY A 56 -0.211 -7.576 -8.515 1.00 0.00 C ATOM 890 C GLY A 56 -0.674 -7.530 -9.950 1.00 0.00 C ATOM 891 O GLY A 56 0.152 -7.442 -10.863 1.00 0.00 O ATOM 0 H GLY A 56 -1.516 -7.320 -6.909 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.812 -7.206 -8.451 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.198 -8.610 -8.170 1.00 0.00 H new ATOM 895 N GLU A 57 -1.982 -7.589 -10.156 1.00 0.00 N ATOM 896 CA GLU A 57 -2.566 -7.509 -11.467 1.00 0.00 C ATOM 897 C GLU A 57 -2.352 -6.144 -12.127 1.00 0.00 C ATOM 898 O GLU A 57 -2.243 -6.050 -13.344 1.00 0.00 O ATOM 899 CB GLU A 57 -4.035 -7.839 -11.402 1.00 0.00 C ATOM 900 CG GLU A 57 -4.336 -9.263 -10.981 1.00 0.00 C ATOM 901 CD GLU A 57 -5.805 -9.576 -11.007 1.00 0.00 C ATOM 902 OE1 GLU A 57 -6.641 -8.650 -10.870 1.00 0.00 O ATOM 903 OE2 GLU A 57 -6.164 -10.756 -11.171 1.00 0.00 O ATOM 0 H GLU A 57 -2.664 -7.695 -9.405 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.056 -8.243 -12.091 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.518 -7.156 -10.703 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.479 -7.660 -12.381 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.810 -9.952 -11.642 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.951 -9.429 -9.975 1.00 0.00 H new ATOM 910 N GLN A 58 -2.310 -5.081 -11.317 1.00 0.00 N ATOM 911 CA GLN A 58 -2.103 -3.725 -11.828 1.00 0.00 C ATOM 912 C GLN A 58 -0.639 -3.507 -12.137 1.00 0.00 C ATOM 913 O GLN A 58 -0.296 -2.897 -13.144 1.00 0.00 O ATOM 914 CB GLN A 58 -2.583 -2.691 -10.803 1.00 0.00 C ATOM 915 CG GLN A 58 -4.059 -2.809 -10.466 1.00 0.00 C ATOM 916 CD GLN A 58 -4.959 -2.513 -11.649 1.00 0.00 C ATOM 917 OE1 GLN A 58 -4.628 -1.699 -12.518 1.00 0.00 O ATOM 918 NE2 GLN A 58 -6.071 -3.180 -11.714 1.00 0.00 N ATOM 0 H GLN A 58 -2.417 -5.135 -10.304 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.681 -3.604 -12.744 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.000 -2.801 -9.888 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.386 -1.691 -11.189 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.264 -3.816 -10.103 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.297 -2.122 -9.654 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.311 -3.844 -10.978 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.704 -3.040 -12.501 1.00 0.00 H new ATOM 927 N GLY A 59 0.208 -3.946 -11.263 1.00 0.00 N ATOM 928 CA GLY A 59 1.621 -3.852 -11.509 1.00 0.00 C ATOM 929 C GLY A 59 2.381 -3.429 -10.289 1.00 0.00 C ATOM 930 O GLY A 59 3.285 -2.601 -10.363 1.00 0.00 O ATOM 0 H GLY A 59 -0.047 -4.373 -10.373 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.994 -4.818 -11.850 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.801 -3.138 -12.313 1.00 0.00 H new ATOM 934 N VAL A 60 2.000 -3.959 -9.163 1.00 0.00 N ATOM 935 CA VAL A 60 2.667 -3.662 -7.930 1.00 0.00 C ATOM 936 C VAL A 60 3.083 -4.962 -7.316 1.00 0.00 C ATOM 937 O VAL A 60 2.260 -5.859 -7.143 1.00 0.00 O ATOM 938 CB VAL A 60 1.737 -2.943 -6.924 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.514 -2.488 -5.703 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.993 -1.786 -7.570 1.00 0.00 C ATOM 0 H VAL A 60 1.219 -4.609 -9.074 1.00 0.00 H new ATOM 0 HA VAL A 60 3.512 -3.007 -8.144 1.00 0.00 H new ATOM 0 HB VAL A 60 0.985 -3.662 -6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.840 -1.985 -5.009 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.960 -3.353 -5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.301 -1.798 -6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.351 -1.308 -6.830 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.711 -1.060 -7.951 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.383 -2.160 -8.392 1.00 0.00 H new ATOM 950 N GLU A 61 4.332 -5.091 -7.036 1.00 0.00 N ATOM 951 CA GLU A 61 4.813 -6.261 -6.376 1.00 0.00 C ATOM 952 C GLU A 61 4.790 -6.016 -4.898 1.00 0.00 C ATOM 953 O GLU A 61 5.109 -4.925 -4.450 1.00 0.00 O ATOM 954 CB GLU A 61 6.200 -6.604 -6.869 1.00 0.00 C ATOM 955 CG GLU A 61 6.189 -6.980 -8.334 1.00 0.00 C ATOM 956 CD GLU A 61 7.528 -7.386 -8.863 1.00 0.00 C ATOM 957 OE1 GLU A 61 8.393 -6.521 -9.022 1.00 0.00 O ATOM 958 OE2 GLU A 61 7.717 -8.583 -9.180 1.00 0.00 O ATOM 0 H GLU A 61 5.047 -4.397 -7.254 1.00 0.00 H new ATOM 0 HA GLU A 61 4.174 -7.116 -6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.863 -5.753 -6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.602 -7.431 -6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.486 -7.799 -8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.821 -6.134 -8.914 1.00 0.00 H new ATOM 965 N LEU A 62 4.332 -6.961 -4.146 1.00 0.00 N ATOM 966 CA LEU A 62 4.283 -6.773 -2.735 1.00 0.00 C ATOM 967 C LEU A 62 5.458 -7.438 -2.054 1.00 0.00 C ATOM 968 O LEU A 62 5.630 -8.658 -2.131 1.00 0.00 O ATOM 969 CB LEU A 62 2.960 -7.272 -2.140 1.00 0.00 C ATOM 970 CG LEU A 62 1.660 -6.728 -2.758 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.731 -5.252 -3.076 1.00 0.00 C ATOM 972 CD2 LEU A 62 1.176 -7.547 -3.933 1.00 0.00 C ATOM 0 H LEU A 62 3.990 -7.862 -4.480 1.00 0.00 H new ATOM 0 HA LEU A 62 4.344 -5.700 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.943 -8.359 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.955 -7.030 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 62 0.903 -6.836 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.785 -4.927 -3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.923 -4.691 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.537 -5.071 -3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.256 -7.113 -4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.937 -7.549 -4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.985 -8.570 -3.609 1.00 0.00 H new ATOM 984 N ILE A 63 6.283 -6.637 -1.439 1.00 0.00 N ATOM 985 CA ILE A 63 7.400 -7.135 -0.664 1.00 0.00 C ATOM 986 C ILE A 63 7.026 -7.163 0.797 1.00 0.00 C ATOM 987 O ILE A 63 5.988 -6.634 1.176 1.00 0.00 O ATOM 988 CB ILE A 63 8.671 -6.283 -0.837 1.00 0.00 C ATOM 989 CG1 ILE A 63 8.389 -4.821 -0.532 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.238 -6.439 -2.216 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.591 -3.917 -0.647 1.00 0.00 C ATOM 0 H ILE A 63 6.206 -5.620 -1.457 1.00 0.00 H new ATOM 0 HA ILE A 63 7.621 -8.137 -1.030 1.00 0.00 H new ATOM 0 HB ILE A 63 9.414 -6.641 -0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.615 -4.464 -1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.987 -4.744 0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.135 -5.827 -2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.492 -7.485 -2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.500 -6.119 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.300 -2.893 -0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.361 -4.244 0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.982 -3.959 -1.663 1.00 0.00 H new ATOM 1003 N SER A 64 7.854 -7.780 1.592 1.00 0.00 N ATOM 1004 CA SER A 64 7.650 -7.889 3.010 1.00 0.00 C ATOM 1005 C SER A 64 7.728 -6.532 3.711 1.00 0.00 C ATOM 1006 O SER A 64 6.712 -5.825 3.815 1.00 0.00 O ATOM 1007 CB SER A 64 8.632 -8.916 3.588 1.00 0.00 C ATOM 1008 OG SER A 64 8.527 -9.039 4.987 1.00 0.00 O ATOM 0 H SER A 64 8.709 -8.231 1.266 1.00 0.00 H new ATOM 0 HA SER A 64 6.637 -8.246 3.195 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.450 -9.887 3.127 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.650 -8.626 3.328 1.00 0.00 H new ATOM 0 HG SER A 64 9.171 -9.705 5.306 1.00 0.00 H new ATOM 1014 N GLU A 65 8.920 -6.178 4.141 1.00 0.00 N ATOM 1015 CA GLU A 65 9.219 -4.926 4.842 1.00 0.00 C ATOM 1016 C GLU A 65 10.681 -4.953 5.252 1.00 0.00 C ATOM 1017 O GLU A 65 11.372 -3.935 5.244 1.00 0.00 O ATOM 1018 CB GLU A 65 8.238 -4.708 6.034 1.00 0.00 C ATOM 1019 CG GLU A 65 8.433 -3.451 6.870 1.00 0.00 C ATOM 1020 CD GLU A 65 9.297 -3.681 8.085 1.00 0.00 C ATOM 1021 OE1 GLU A 65 10.355 -3.051 8.213 1.00 0.00 O ATOM 1022 OE2 GLU A 65 8.914 -4.508 8.949 1.00 0.00 O ATOM 0 H GLU A 65 9.743 -6.767 4.013 1.00 0.00 H new ATOM 0 HA GLU A 65 9.067 -4.067 4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.222 -4.698 5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.313 -5.570 6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.885 -2.676 6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.460 -3.078 7.188 1.00 0.00 H new ATOM 1029 N ASN A 66 11.162 -6.159 5.539 1.00 0.00 N ATOM 1030 CA ASN A 66 12.600 -6.401 5.845 1.00 0.00 C ATOM 1031 C ASN A 66 13.437 -6.347 4.562 1.00 0.00 C ATOM 1032 O ASN A 66 14.671 -6.285 4.578 1.00 0.00 O ATOM 1033 CB ASN A 66 12.770 -7.770 6.561 1.00 0.00 C ATOM 1034 CG ASN A 66 14.225 -8.145 6.863 1.00 0.00 C ATOM 1035 OD1 ASN A 66 14.779 -7.769 7.896 1.00 0.00 O ATOM 1036 ND2 ASN A 66 14.827 -8.946 6.010 1.00 0.00 N ATOM 0 H ASN A 66 10.586 -7.000 5.570 1.00 0.00 H new ATOM 0 HA ASN A 66 12.956 -5.617 6.513 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.210 -7.750 7.496 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.327 -8.549 5.941 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.776 -9.270 6.197 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.345 -9.242 5.161 1.00 0.00 H new ATOM 1043 N GLU A 67 12.751 -6.322 3.467 1.00 0.00 N ATOM 1044 CA GLU A 67 13.361 -6.331 2.179 1.00 0.00 C ATOM 1045 C GLU A 67 12.882 -5.126 1.403 1.00 0.00 C ATOM 1046 O GLU A 67 11.823 -4.563 1.715 1.00 0.00 O ATOM 1047 CB GLU A 67 12.963 -7.604 1.445 1.00 0.00 C ATOM 1048 CG GLU A 67 11.478 -7.679 1.165 1.00 0.00 C ATOM 1049 CD GLU A 67 11.035 -8.950 0.506 1.00 0.00 C ATOM 1050 OE1 GLU A 67 9.862 -9.298 0.637 1.00 0.00 O ATOM 1051 OE2 GLU A 67 11.844 -9.625 -0.147 1.00 0.00 O ATOM 0 H GLU A 67 11.732 -6.294 3.442 1.00 0.00 H new ATOM 0 HA GLU A 67 14.446 -6.296 2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.509 -7.661 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.260 -8.468 2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.937 -7.564 2.104 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.197 -6.838 0.531 1.00 0.00 H new ATOM 1058 N GLU A 68 13.657 -4.751 0.431 1.00 0.00 N ATOM 1059 CA GLU A 68 13.376 -3.682 -0.493 1.00 0.00 C ATOM 1060 C GLU A 68 14.546 -3.740 -1.461 1.00 0.00 C ATOM 1061 O GLU A 68 15.416 -4.599 -1.293 1.00 0.00 O ATOM 1062 CB GLU A 68 13.353 -2.312 0.232 1.00 0.00 C ATOM 1063 CG GLU A 68 12.197 -1.374 -0.175 1.00 0.00 C ATOM 1064 CD GLU A 68 12.118 -1.100 -1.656 1.00 0.00 C ATOM 1065 OE1 GLU A 68 11.054 -1.302 -2.264 1.00 0.00 O ATOM 1066 OE2 GLU A 68 13.137 -0.732 -2.249 1.00 0.00 O ATOM 0 H GLU A 68 14.552 -5.204 0.247 1.00 0.00 H new ATOM 0 HA GLU A 68 12.404 -3.788 -0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.296 -2.488 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.298 -1.802 0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.255 -1.813 0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.309 -0.427 0.353 1.00 0.00 H new ATOM 1073 N THR A 69 14.595 -2.890 -2.436 1.00 0.00 N ATOM 1074 CA THR A 69 15.723 -2.882 -3.327 1.00 0.00 C ATOM 1075 C THR A 69 16.408 -1.548 -3.345 1.00 0.00 C ATOM 1076 O THR A 69 17.466 -1.393 -3.950 1.00 0.00 O ATOM 1077 CB THR A 69 15.412 -3.392 -4.744 1.00 0.00 C ATOM 1078 OG1 THR A 69 14.233 -2.751 -5.247 1.00 0.00 O ATOM 1079 CG2 THR A 69 15.220 -4.896 -4.753 1.00 0.00 C ATOM 0 H THR A 69 13.876 -2.195 -2.639 1.00 0.00 H new ATOM 0 HA THR A 69 16.422 -3.610 -2.914 1.00 0.00 H new ATOM 0 HB THR A 69 16.260 -3.150 -5.385 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.042 -3.079 -6.150 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.001 -5.229 -5.768 1.00 0.00 H new ATOM 0 HG22 THR A 69 16.130 -5.381 -4.400 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.390 -5.161 -4.098 1.00 0.00 H new ATOM 1087 N GLU A 70 15.812 -0.590 -2.668 1.00 0.00 N ATOM 1088 CA GLU A 70 16.417 0.708 -2.502 1.00 0.00 C ATOM 1089 C GLU A 70 17.604 0.568 -1.568 1.00 0.00 C ATOM 1090 O GLU A 70 18.618 1.250 -1.703 1.00 0.00 O ATOM 1091 CB GLU A 70 15.408 1.721 -1.934 1.00 0.00 C ATOM 1092 CG GLU A 70 14.870 1.341 -0.559 1.00 0.00 C ATOM 1093 CD GLU A 70 13.916 2.366 0.016 1.00 0.00 C ATOM 1094 OE1 GLU A 70 14.303 3.552 0.145 1.00 0.00 O ATOM 1095 OE2 GLU A 70 12.784 2.003 0.407 1.00 0.00 O ATOM 0 H GLU A 70 14.901 -0.691 -2.221 1.00 0.00 H new ATOM 0 HA GLU A 70 16.744 1.081 -3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.884 2.699 -1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.573 1.817 -2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.360 0.380 -0.629 1.00 0.00 H new ATOM 0 HG3 GLU A 70 15.707 1.209 0.127 1.00 0.00 H new ATOM 1102 N ASP A 71 17.491 -0.361 -0.650 1.00 0.00 N ATOM 1103 CA ASP A 71 18.521 -0.571 0.294 1.00 0.00 C ATOM 1104 C ASP A 71 19.344 -1.758 -0.040 1.00 0.00 C ATOM 1105 O ASP A 71 19.059 -2.889 0.361 1.00 0.00 O ATOM 1106 CB ASP A 71 18.031 -0.623 1.720 1.00 0.00 C ATOM 1107 CG ASP A 71 19.163 -0.973 2.687 1.00 0.00 C ATOM 1108 OD1 ASP A 71 18.943 -1.806 3.601 1.00 0.00 O ATOM 1109 OD2 ASP A 71 20.307 -0.486 2.490 1.00 0.00 O ATOM 0 H ASP A 71 16.685 -0.978 -0.550 1.00 0.00 H new ATOM 0 HA ASP A 71 19.160 0.309 0.228 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.601 0.341 1.994 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.235 -1.363 1.806 1.00 0.00 H new ATOM 1114 N LEU A 72 20.278 -1.508 -0.871 1.00 0.00 N ATOM 1115 CA LEU A 72 21.315 -2.443 -1.170 1.00 0.00 C ATOM 1116 C LEU A 72 22.623 -1.757 -0.837 1.00 0.00 C ATOM 1117 O LEU A 72 23.702 -2.315 -1.003 1.00 0.00 O ATOM 1118 CB LEU A 72 21.282 -2.846 -2.655 1.00 0.00 C ATOM 1119 CG LEU A 72 19.996 -3.526 -3.157 1.00 0.00 C ATOM 1120 CD1 LEU A 72 20.100 -3.828 -4.644 1.00 0.00 C ATOM 1121 CD2 LEU A 72 19.716 -4.806 -2.376 1.00 0.00 C ATOM 0 H LEU A 72 20.355 -0.628 -1.381 1.00 0.00 H new ATOM 0 HA LEU A 72 21.189 -3.358 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 72 21.450 -1.951 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 72 22.119 -3.518 -2.844 1.00 0.00 H new ATOM 0 HG LEU A 72 19.165 -2.839 -2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 72 19.182 -4.309 -4.983 1.00 0.00 H new ATOM 0 HD12 LEU A 72 20.247 -2.899 -5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 72 20.945 -4.493 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.802 -5.268 -2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 72 20.549 -5.498 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.596 -4.568 -1.319 1.00 0.00 H new ATOM 1133 N GLU A 73 22.503 -0.513 -0.358 1.00 0.00 N ATOM 1134 CA GLU A 73 23.633 0.317 -0.050 1.00 0.00 C ATOM 1135 C GLU A 73 23.282 1.446 0.947 1.00 0.00 C ATOM 1136 O GLU A 73 24.081 2.357 1.151 1.00 0.00 O ATOM 1137 CB GLU A 73 24.174 0.892 -1.350 1.00 0.00 C ATOM 1138 CG GLU A 73 23.158 1.681 -2.167 1.00 0.00 C ATOM 1139 CD GLU A 73 23.732 2.154 -3.472 1.00 0.00 C ATOM 1140 OE1 GLU A 73 24.059 3.355 -3.597 1.00 0.00 O ATOM 1141 OE2 GLU A 73 23.881 1.333 -4.402 1.00 0.00 O ATOM 0 H GLU A 73 21.604 -0.067 -0.178 1.00 0.00 H new ATOM 0 HA GLU A 73 24.392 -0.294 0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 73 25.019 1.541 -1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 73 24.557 0.075 -1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 73 22.285 1.058 -2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 73 22.816 2.539 -1.589 1.00 0.00 H new ATOM 1148 N HIS A 74 22.119 1.370 1.589 1.00 0.00 N ATOM 1149 CA HIS A 74 21.734 2.407 2.555 1.00 0.00 C ATOM 1150 C HIS A 74 22.176 1.978 3.929 1.00 0.00 C ATOM 1151 O HIS A 74 22.461 2.817 4.804 1.00 0.00 O ATOM 1152 CB HIS A 74 20.218 2.697 2.548 1.00 0.00 C ATOM 1153 CG HIS A 74 19.693 3.336 1.288 1.00 0.00 C ATOM 1154 ND1 HIS A 74 18.358 3.599 1.065 1.00 0.00 N ATOM 1155 CD2 HIS A 74 20.348 3.791 0.187 1.00 0.00 C ATOM 1156 CE1 HIS A 74 18.242 4.183 -0.122 1.00 0.00 C ATOM 1157 NE2 HIS A 74 19.421 4.327 -0.704 1.00 0.00 N ATOM 0 H HIS A 74 21.437 0.621 1.466 1.00 0.00 H new ATOM 0 HA HIS A 74 22.227 3.335 2.266 1.00 0.00 H new ATOM 0 HB2 HIS A 74 19.684 1.761 2.711 1.00 0.00 H new ATOM 0 HB3 HIS A 74 19.985 3.348 3.391 1.00 0.00 H new ATOM 0 HD2 HIS A 74 21.415 3.744 0.029 1.00 0.00 H new ATOM 0 HE1 HIS A 74 17.305 4.500 -0.556 1.00 0.00 H new ATOM 0 HE2 HIS A 74 19.612 4.744 -1.615 1.00 0.00 H new ATOM 1165 N HIS A 75 22.178 0.666 4.133 1.00 0.00 N ATOM 1166 CA HIS A 75 22.719 0.064 5.334 1.00 0.00 C ATOM 1167 C HIS A 75 24.212 0.414 5.433 1.00 0.00 C ATOM 1168 O HIS A 75 24.599 1.253 6.258 1.00 0.00 O ATOM 1169 CB HIS A 75 22.501 -1.468 5.310 1.00 0.00 C ATOM 1170 CG HIS A 75 23.002 -2.187 6.531 1.00 0.00 C ATOM 1171 ND1 HIS A 75 24.159 -2.936 6.563 1.00 0.00 N ATOM 1172 CD2 HIS A 75 22.475 -2.267 7.773 1.00 0.00 C ATOM 1173 CE1 HIS A 75 24.303 -3.433 7.783 1.00 0.00 C ATOM 1174 NE2 HIS A 75 23.305 -3.060 8.564 1.00 0.00 N ATOM 0 H HIS A 75 21.802 -0.007 3.465 1.00 0.00 H new ATOM 0 HA HIS A 75 22.204 0.454 6.212 1.00 0.00 H new ATOM 0 HB2 HIS A 75 21.436 -1.669 5.197 1.00 0.00 H new ATOM 0 HB3 HIS A 75 22.998 -1.880 4.432 1.00 0.00 H new ATOM 0 HD2 HIS A 75 21.561 -1.794 8.099 1.00 0.00 H new ATOM 0 HE1 HIS A 75 25.126 -4.059 8.097 1.00 0.00 H new ATOM 0 HE2 HIS A 75 23.169 -3.303 9.545 1.00 0.00 H new ATOM 1182 N HIS A 76 25.017 -0.210 4.572 1.00 0.00 N ATOM 1183 CA HIS A 76 26.447 0.051 4.443 1.00 0.00 C ATOM 1184 C HIS A 76 27.000 -0.966 3.444 1.00 0.00 C ATOM 1185 O HIS A 76 27.030 -0.676 2.245 1.00 0.00 O ATOM 1186 CB HIS A 76 27.197 -0.066 5.801 1.00 0.00 C ATOM 1187 CG HIS A 76 28.611 0.471 5.781 1.00 0.00 C ATOM 1188 ND1 HIS A 76 29.036 1.537 6.543 1.00 0.00 N ATOM 1189 CD2 HIS A 76 29.699 0.064 5.084 1.00 0.00 C ATOM 1190 CE1 HIS A 76 30.325 1.744 6.296 1.00 0.00 C ATOM 1191 NE2 HIS A 76 30.786 0.873 5.409 1.00 0.00 N ATOM 1192 OXT HIS A 76 27.341 -2.095 3.852 1.00 0.00 O ATOM 0 H HIS A 76 24.682 -0.928 3.930 1.00 0.00 H new ATOM 0 HA HIS A 76 26.599 1.074 4.100 1.00 0.00 H new ATOM 0 HB2 HIS A 76 26.629 0.468 6.563 1.00 0.00 H new ATOM 0 HB3 HIS A 76 27.223 -1.114 6.099 1.00 0.00 H new ATOM 0 HD2 HIS A 76 29.721 -0.759 4.385 1.00 0.00 H new ATOM 0 HE1 HIS A 76 30.919 2.519 6.757 1.00 0.00 H new ATOM 0 HE2 HIS A 76 31.736 0.809 5.042 1.00 0.00 H new TER 1200 HIS A 76