USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 811 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 109 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 SER OG : rot 180:sc= -0.112 USER MOD Single : A 22 MET CE :methyl 166:sc= -0.0762 (180deg=-0.441) USER MOD Single : A 24 GLN : amide:sc= -0.0524 X(o=-0.052,f=-0.42) USER MOD Single : A 25 ASN : amide:sc= -1.02 X(o=-1,f=-1) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00321 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0833 X(o=-0.083,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.946 USER MOD Single : A 62 LYS NZ :NH3+ -170:sc= 1.23 (180deg=0.86) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.398 K(o=-0.4,f=-2.3!) USER MOD Single : A 83 SER OG : rot 21:sc= 0.672 USER MOD Single : A 92 GLN : amide:sc= -0.295 K(o=-0.3,f=-2.2!) USER MOD Single : A 100 GLN : amide:sc= -1.33 K(o=-1.3,f=-3!) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.0234 X(o=-0.023,f=-0.41) USER MOD Single : A 105 ASN : amide:sc= -0.0457 K(o=-0.046,f=-1.7!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.191 K(o=-0.19,f=-2.1!) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 21 5.284 -1.533 -17.974 1.00 0.00 N ATOM 2 CA ALA A 21 6.249 -2.336 -17.179 1.00 0.00 C ATOM 3 C ALA A 21 5.808 -2.438 -15.723 1.00 0.00 C ATOM 4 O ALA A 21 5.668 -1.427 -15.035 1.00 0.00 O ATOM 5 CB ALA A 21 7.640 -1.727 -17.267 1.00 0.00 C ATOM 0 HA ALA A 21 6.277 -3.343 -17.596 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.337 -2.325 -16.680 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.964 -1.709 -18.308 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.617 -0.710 -16.877 1.00 0.00 H new ATOM 13 N MET A 22 5.591 -3.665 -15.268 1.00 0.00 N ATOM 14 CA MET A 22 5.167 -3.898 -13.892 1.00 0.00 C ATOM 15 C MET A 22 6.293 -3.578 -12.907 1.00 0.00 C ATOM 16 O MET A 22 7.463 -3.534 -13.287 1.00 0.00 O ATOM 17 CB MET A 22 4.717 -5.350 -13.707 1.00 0.00 C ATOM 18 CG MET A 22 3.478 -5.705 -14.510 1.00 0.00 C ATOM 19 SD MET A 22 3.146 -7.477 -14.526 1.00 0.00 S ATOM 20 CE MET A 22 2.993 -7.809 -12.774 1.00 0.00 C ATOM 0 H MET A 22 5.701 -4.511 -15.827 1.00 0.00 H new ATOM 0 HA MET A 22 4.327 -3.234 -13.687 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.531 -6.014 -13.997 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.520 -5.529 -12.650 1.00 0.00 H new ATOM 0 HG2 MET A 22 2.617 -5.182 -14.093 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.600 -5.353 -15.534 1.00 0.00 H new ATOM 0 HE1 MET A 22 2.547 -8.793 -12.628 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.980 -7.785 -12.312 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.358 -7.051 -12.314 1.00 0.00 H new ATOM 30 N ALA A 23 5.932 -3.356 -11.647 1.00 0.00 N ATOM 31 CA ALA A 23 6.913 -3.038 -10.614 1.00 0.00 C ATOM 32 C ALA A 23 7.619 -1.721 -10.924 1.00 0.00 C ATOM 33 O ALA A 23 7.949 -1.430 -12.065 1.00 0.00 O ATOM 34 CB ALA A 23 7.927 -4.165 -10.492 1.00 0.00 C ATOM 0 H ALA A 23 4.968 -3.390 -11.316 1.00 0.00 H new ATOM 0 HA ALA A 23 6.390 -2.928 -9.664 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.654 -3.918 -9.719 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.414 -5.089 -10.225 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.441 -4.297 -11.444 1.00 0.00 H new ATOM 40 N GLN A 24 7.850 -0.928 -9.874 1.00 0.00 N ATOM 41 CA GLN A 24 8.518 0.358 -10.027 1.00 0.00 C ATOM 42 C GLN A 24 9.686 0.482 -9.053 1.00 0.00 C ATOM 43 O GLN A 24 9.665 -0.098 -7.976 1.00 0.00 O ATOM 44 CB GLN A 24 7.528 1.502 -9.808 1.00 0.00 C ATOM 45 CG GLN A 24 6.443 1.586 -10.872 1.00 0.00 C ATOM 46 CD GLN A 24 6.984 2.009 -12.224 1.00 0.00 C ATOM 47 OE1 GLN A 24 7.810 2.917 -12.311 1.00 0.00 O ATOM 48 NE2 GLN A 24 6.518 1.350 -13.271 1.00 0.00 N ATOM 0 H GLN A 24 7.584 -1.156 -8.916 1.00 0.00 H new ATOM 0 HA GLN A 24 8.908 0.419 -11.043 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.058 1.382 -8.832 1.00 0.00 H new ATOM 0 HB3 GLN A 24 8.075 2.444 -9.785 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.956 0.615 -10.967 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.680 2.295 -10.552 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.833 0.605 -13.141 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.843 1.586 -14.208 1.00 0.00 H new ATOM 57 N ASN A 25 10.702 1.240 -9.456 1.00 0.00 N ATOM 58 CA ASN A 25 11.878 1.437 -8.616 1.00 0.00 C ATOM 59 C ASN A 25 11.799 2.766 -7.872 1.00 0.00 C ATOM 60 O ASN A 25 12.043 3.826 -8.439 1.00 0.00 O ATOM 61 CB ASN A 25 13.151 1.388 -9.464 1.00 0.00 C ATOM 62 CG ASN A 25 13.076 2.304 -10.663 1.00 0.00 C ATOM 63 OD1 ASN A 25 13.513 3.454 -10.620 1.00 0.00 O ATOM 64 ND2 ASN A 25 12.521 1.797 -11.757 1.00 0.00 N ATOM 0 H ASN A 25 10.735 1.725 -10.353 1.00 0.00 H new ATOM 0 HA ASN A 25 11.908 0.632 -7.882 1.00 0.00 H new ATOM 0 HB2 ASN A 25 14.006 1.668 -8.849 1.00 0.00 H new ATOM 0 HB3 ASN A 25 13.322 0.365 -9.801 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.445 2.365 -12.601 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.170 0.839 -11.754 1.00 0.00 H new ATOM 71 N ILE A 26 11.454 2.701 -6.581 1.00 0.00 N ATOM 72 CA ILE A 26 11.341 3.899 -5.759 1.00 0.00 C ATOM 73 C ILE A 26 12.313 3.855 -4.585 1.00 0.00 C ATOM 74 O ILE A 26 12.426 2.841 -3.904 1.00 0.00 O ATOM 75 CB ILE A 26 9.909 4.079 -5.218 1.00 0.00 C ATOM 76 CG1 ILE A 26 8.890 3.968 -6.354 1.00 0.00 C ATOM 77 CG2 ILE A 26 9.774 5.418 -4.507 1.00 0.00 C ATOM 78 CD1 ILE A 26 7.661 3.167 -5.985 1.00 0.00 C ATOM 0 H ILE A 26 11.250 1.831 -6.089 1.00 0.00 H new ATOM 0 HA ILE A 26 11.588 4.745 -6.401 1.00 0.00 H new ATOM 0 HB ILE A 26 9.709 3.285 -4.498 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.584 4.970 -6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.369 3.507 -7.218 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.757 5.529 -4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.476 5.460 -3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.993 6.225 -5.206 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.982 3.129 -6.837 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.956 2.154 -5.711 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.159 3.640 -5.141 1.00 0.00 H new ATOM 90 N THR A 27 13.012 4.963 -4.363 1.00 0.00 N ATOM 91 CA THR A 27 13.974 5.055 -3.273 1.00 0.00 C ATOM 92 C THR A 27 13.318 5.611 -2.013 1.00 0.00 C ATOM 93 O THR A 27 12.609 6.616 -2.063 1.00 0.00 O ATOM 94 CB THR A 27 15.156 5.937 -3.679 1.00 0.00 C ATOM 95 OG1 THR A 27 14.701 7.158 -4.234 1.00 0.00 O ATOM 96 CG2 THR A 27 16.069 5.284 -4.693 1.00 0.00 C ATOM 0 H THR A 27 12.930 5.810 -4.925 1.00 0.00 H new ATOM 0 HA THR A 27 14.338 4.050 -3.058 1.00 0.00 H new ATOM 0 HB THR A 27 15.720 6.105 -2.762 1.00 0.00 H new ATOM 0 HG1 THR A 27 15.471 7.710 -4.486 1.00 0.00 H new ATOM 0 HG21 THR A 27 16.886 5.963 -4.937 1.00 0.00 H new ATOM 0 HG22 THR A 27 16.475 4.362 -4.276 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.504 5.056 -5.597 1.00 0.00 H new ATOM 104 N ALA A 28 13.561 4.950 -0.886 1.00 0.00 N ATOM 105 CA ALA A 28 12.994 5.378 0.371 1.00 0.00 C ATOM 106 C ALA A 28 14.069 5.457 1.450 1.00 0.00 C ATOM 107 O ALA A 28 15.134 4.854 1.332 1.00 0.00 O ATOM 108 CB ALA A 28 11.884 4.430 0.798 1.00 0.00 C ATOM 0 H ALA A 28 14.147 4.118 -0.826 1.00 0.00 H new ATOM 0 HA ALA A 28 12.572 6.374 0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.465 4.764 1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.101 4.421 0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.289 3.425 0.914 1.00 0.00 H new ATOM 114 N ARG A 29 13.783 6.206 2.509 1.00 0.00 N ATOM 115 CA ARG A 29 14.726 6.367 3.610 1.00 0.00 C ATOM 116 C ARG A 29 14.154 5.803 4.907 1.00 0.00 C ATOM 117 O ARG A 29 12.998 6.055 5.256 1.00 0.00 O ATOM 118 CB ARG A 29 15.079 7.844 3.791 1.00 0.00 C ATOM 119 CG ARG A 29 16.217 8.083 4.771 1.00 0.00 C ATOM 120 CD ARG A 29 15.938 9.275 5.680 1.00 0.00 C ATOM 121 NE ARG A 29 15.609 8.867 7.035 1.00 0.00 N ATOM 122 CZ ARG A 29 15.556 9.703 8.076 1.00 0.00 C ATOM 123 NH1 ARG A 29 15.808 10.996 7.899 1.00 0.00 N ATOM 124 NH2 ARG A 29 15.250 9.248 9.284 1.00 0.00 N ATOM 0 H ARG A 29 12.905 6.712 2.629 1.00 0.00 H new ATOM 0 HA ARG A 29 15.631 5.811 3.365 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.350 8.265 2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.195 8.380 4.136 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.368 7.190 5.378 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.142 8.254 4.220 1.00 0.00 H new ATOM 0 HD2 ARG A 29 16.812 9.926 5.701 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.115 9.859 5.268 1.00 0.00 H new ATOM 0 HE ARG A 29 15.406 7.881 7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.041 11.348 6.970 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.768 11.637 8.692 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.054 8.256 9.421 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.211 9.890 10.076 1.00 0.00 H new ATOM 138 N ILE A 30 14.970 5.036 5.623 1.00 0.00 N ATOM 139 CA ILE A 30 14.545 4.432 6.882 1.00 0.00 C ATOM 140 C ILE A 30 14.166 5.495 7.916 1.00 0.00 C ATOM 141 O ILE A 30 14.934 6.422 8.170 1.00 0.00 O ATOM 142 CB ILE A 30 15.644 3.529 7.479 1.00 0.00 C ATOM 143 CG1 ILE A 30 17.015 4.205 7.375 1.00 0.00 C ATOM 144 CG2 ILE A 30 15.661 2.180 6.778 1.00 0.00 C ATOM 145 CD1 ILE A 30 17.837 4.103 8.642 1.00 0.00 C ATOM 0 H ILE A 30 15.929 4.818 5.353 1.00 0.00 H new ATOM 0 HA ILE A 30 13.669 3.826 6.650 1.00 0.00 H new ATOM 0 HB ILE A 30 15.421 3.369 8.534 1.00 0.00 H new ATOM 0 HG12 ILE A 30 17.572 3.755 6.553 1.00 0.00 H new ATOM 0 HG13 ILE A 30 16.875 5.257 7.126 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.442 1.555 7.211 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.694 1.692 6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.859 2.324 5.716 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.794 4.603 8.496 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.301 4.579 9.463 1.00 0.00 H new ATOM 0 HD13 ILE A 30 18.009 3.053 8.881 1.00 0.00 H new ATOM 157 N GLY A 31 12.980 5.349 8.491 1.00 0.00 N ATOM 158 CA GLY A 31 12.518 6.298 9.487 1.00 0.00 C ATOM 159 C GLY A 31 11.992 7.588 8.881 1.00 0.00 C ATOM 160 O GLY A 31 11.582 8.496 9.605 1.00 0.00 O ATOM 0 H GLY A 31 12.329 4.591 8.286 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.731 5.836 10.083 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.338 6.530 10.167 1.00 0.00 H new ATOM 164 N GLU A 32 12.003 7.676 7.554 1.00 0.00 N ATOM 165 CA GLU A 32 11.524 8.869 6.865 1.00 0.00 C ATOM 166 C GLU A 32 10.079 8.690 6.397 1.00 0.00 C ATOM 167 O GLU A 32 9.786 7.796 5.612 1.00 0.00 O ATOM 168 CB GLU A 32 12.420 9.182 5.666 1.00 0.00 C ATOM 169 CG GLU A 32 12.317 10.621 5.189 1.00 0.00 C ATOM 170 CD GLU A 32 12.896 11.607 6.192 1.00 0.00 C ATOM 171 OE1 GLU A 32 14.118 11.859 6.136 1.00 0.00 O ATOM 172 OE2 GLU A 32 12.127 12.127 7.028 1.00 0.00 O ATOM 0 H GLU A 32 12.338 6.937 6.936 1.00 0.00 H new ATOM 0 HA GLU A 32 11.559 9.701 7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.456 8.969 5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.158 8.516 4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.840 10.724 4.238 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.271 10.866 5.005 1.00 0.00 H new ATOM 179 N PRO A 33 9.151 9.539 6.888 1.00 0.00 N ATOM 180 CA PRO A 33 7.736 9.460 6.495 1.00 0.00 C ATOM 181 C PRO A 33 7.539 9.646 4.994 1.00 0.00 C ATOM 182 O PRO A 33 8.208 10.468 4.376 1.00 0.00 O ATOM 183 CB PRO A 33 7.080 10.614 7.272 1.00 0.00 C ATOM 184 CG PRO A 33 8.030 10.937 8.365 1.00 0.00 C ATOM 185 CD PRO A 33 9.400 10.638 7.836 1.00 0.00 C ATOM 0 HA PRO A 33 7.307 8.483 6.718 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.913 11.477 6.628 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.109 10.319 7.669 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.946 11.984 8.656 1.00 0.00 H new ATOM 0 HG3 PRO A 33 7.818 10.341 9.253 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.842 11.505 7.344 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.084 10.340 8.630 1.00 0.00 H new ATOM 193 N LEU A 34 6.618 8.877 4.428 1.00 0.00 N ATOM 194 CA LEU A 34 6.339 8.960 2.989 1.00 0.00 C ATOM 195 C LEU A 34 4.842 8.854 2.715 1.00 0.00 C ATOM 196 O LEU A 34 4.110 8.190 3.450 1.00 0.00 O ATOM 197 CB LEU A 34 7.084 7.857 2.235 1.00 0.00 C ATOM 198 CG LEU A 34 8.540 7.651 2.657 1.00 0.00 C ATOM 199 CD1 LEU A 34 8.971 6.216 2.412 1.00 0.00 C ATOM 200 CD2 LEU A 34 9.449 8.622 1.919 1.00 0.00 C ATOM 0 H LEU A 34 6.053 8.193 4.932 1.00 0.00 H new ATOM 0 HA LEU A 34 6.688 9.931 2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.546 6.919 2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.060 8.087 1.170 1.00 0.00 H new ATOM 0 HG LEU A 34 8.621 7.850 3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.009 6.091 2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.338 5.542 2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.875 5.983 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.481 8.462 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.364 8.455 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.154 9.645 2.152 1.00 0.00 H new ATOM 212 N VAL A 35 4.395 9.511 1.650 1.00 0.00 N ATOM 213 CA VAL A 35 2.987 9.492 1.270 1.00 0.00 C ATOM 214 C VAL A 35 2.818 9.059 -0.167 1.00 0.00 C ATOM 215 O VAL A 35 3.588 9.465 -1.038 1.00 0.00 O ATOM 216 CB VAL A 35 2.332 10.874 1.463 1.00 0.00 C ATOM 217 CG1 VAL A 35 0.831 10.793 1.234 1.00 0.00 C ATOM 218 CG2 VAL A 35 2.637 11.424 2.849 1.00 0.00 C ATOM 0 H VAL A 35 4.989 10.065 1.033 1.00 0.00 H new ATOM 0 HA VAL A 35 2.492 8.773 1.923 1.00 0.00 H new ATOM 0 HB VAL A 35 2.752 11.558 0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.388 11.779 1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.636 10.449 0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.392 10.093 1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.166 12.400 2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.249 10.741 3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.715 11.525 2.971 1.00 0.00 H new ATOM 228 N LEU A 36 1.807 8.235 -0.432 1.00 0.00 N ATOM 229 CA LEU A 36 1.540 7.750 -1.774 1.00 0.00 C ATOM 230 C LEU A 36 0.043 7.737 -2.072 1.00 0.00 C ATOM 231 O LEU A 36 -0.770 7.485 -1.175 1.00 0.00 O ATOM 232 CB LEU A 36 2.124 6.347 -1.959 1.00 0.00 C ATOM 233 CG LEU A 36 3.282 6.256 -2.955 1.00 0.00 C ATOM 234 CD1 LEU A 36 3.822 4.836 -3.017 1.00 0.00 C ATOM 235 CD2 LEU A 36 2.836 6.719 -4.334 1.00 0.00 C ATOM 0 H LEU A 36 1.157 7.890 0.275 1.00 0.00 H new ATOM 0 HA LEU A 36 2.019 8.432 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.467 5.982 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.328 5.679 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 36 4.082 6.913 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.645 4.790 -3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.180 4.539 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.029 4.159 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.672 6.648 -5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.019 6.088 -4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.497 7.754 -4.279 1.00 0.00 H new ATOM 247 N LYS A 37 -0.315 8.007 -3.315 1.00 0.00 N ATOM 248 CA LYS A 37 -1.714 8.025 -3.725 1.00 0.00 C ATOM 249 C LYS A 37 -2.061 6.775 -4.530 1.00 0.00 C ATOM 250 O LYS A 37 -1.477 6.520 -5.582 1.00 0.00 O ATOM 251 CB LYS A 37 -2.011 9.276 -4.554 1.00 0.00 C ATOM 252 CG LYS A 37 -1.387 10.542 -3.990 1.00 0.00 C ATOM 253 CD LYS A 37 0.054 10.710 -4.453 1.00 0.00 C ATOM 254 CE LYS A 37 0.258 12.031 -5.178 1.00 0.00 C ATOM 255 NZ LYS A 37 0.341 13.177 -4.240 1.00 0.00 N ATOM 0 H LYS A 37 0.345 8.218 -4.063 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.329 8.040 -2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.647 9.123 -5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.091 9.411 -4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.973 11.407 -4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.419 10.510 -2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.722 10.659 -3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.323 9.886 -5.114 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.172 11.981 -5.770 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.565 12.192 -5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.480 14.056 -4.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.541 13.242 -3.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.142 13.037 -3.591 1.00 0.00 H new ATOM 269 N CYS A 38 -3.016 5.999 -4.026 1.00 0.00 N ATOM 270 CA CYS A 38 -3.441 4.776 -4.698 1.00 0.00 C ATOM 271 C CYS A 38 -4.931 4.822 -5.028 1.00 0.00 C ATOM 272 O CYS A 38 -5.765 4.424 -4.206 1.00 0.00 O ATOM 273 CB CYS A 38 -3.131 3.556 -3.836 1.00 0.00 C ATOM 274 SG CYS A 38 -2.336 2.184 -4.727 1.00 0.00 S ATOM 0 H CYS A 38 -3.510 6.195 -3.155 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.885 4.697 -5.632 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.483 3.863 -3.015 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.059 3.195 -3.393 1.00 0.00 H new ATOM 279 N LYS A 39 -5.259 5.310 -6.213 1.00 0.00 N ATOM 280 CA LYS A 39 -6.650 5.407 -6.641 1.00 0.00 C ATOM 281 C LYS A 39 -7.098 4.122 -7.329 1.00 0.00 C ATOM 282 O LYS A 39 -6.345 3.151 -7.412 1.00 0.00 O ATOM 283 CB LYS A 39 -6.831 6.595 -7.587 1.00 0.00 C ATOM 284 CG LYS A 39 -5.953 6.526 -8.836 1.00 0.00 C ATOM 285 CD LYS A 39 -6.770 6.674 -10.103 1.00 0.00 C ATOM 286 CE LYS A 39 -6.916 5.347 -10.829 1.00 0.00 C ATOM 287 NZ LYS A 39 -7.889 5.432 -11.960 1.00 0.00 N ATOM 0 H LYS A 39 -4.582 5.646 -6.898 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.268 5.558 -5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.876 6.650 -7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.608 7.515 -7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.199 7.312 -8.795 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.421 5.575 -8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.757 7.066 -9.857 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.294 7.400 -10.762 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.944 5.033 -11.210 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.244 4.583 -10.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.959 4.506 -12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.823 5.706 -11.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.563 6.143 -12.646 1.00 0.00 H new ATOM 301 N GLY A 40 -8.329 4.123 -7.831 1.00 0.00 N ATOM 302 CA GLY A 40 -8.856 2.952 -8.506 1.00 0.00 C ATOM 303 C GLY A 40 -10.370 2.885 -8.464 1.00 0.00 C ATOM 304 O GLY A 40 -11.010 2.436 -9.405 1.00 0.00 O ATOM 0 H GLY A 40 -8.971 4.914 -7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.525 2.957 -9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.444 2.055 -8.044 1.00 0.00 H new ATOM 308 N ALA A 41 -10.943 3.333 -7.342 1.00 0.00 N ATOM 309 CA ALA A 41 -12.390 3.323 -7.170 1.00 0.00 C ATOM 310 C ALA A 41 -13.074 4.205 -8.214 1.00 0.00 C ATOM 311 O ALA A 41 -12.829 5.410 -8.270 1.00 0.00 O ATOM 312 CB ALA A 41 -12.755 3.785 -5.767 1.00 0.00 C ATOM 0 H ALA A 41 -10.425 3.705 -6.546 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.742 2.301 -7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.839 3.773 -5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.304 3.115 -5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.384 4.798 -5.609 1.00 0.00 H new ATOM 318 N PRO A 42 -13.945 3.620 -9.059 1.00 0.00 N ATOM 319 CA PRO A 42 -14.658 4.370 -10.108 1.00 0.00 C ATOM 320 C PRO A 42 -15.492 5.510 -9.522 1.00 0.00 C ATOM 321 O PRO A 42 -15.232 5.982 -8.415 1.00 0.00 O ATOM 322 CB PRO A 42 -15.566 3.321 -10.749 1.00 0.00 C ATOM 323 CG PRO A 42 -14.944 2.010 -10.415 1.00 0.00 C ATOM 324 CD PRO A 42 -14.299 2.190 -9.071 1.00 0.00 C ATOM 0 HA PRO A 42 -13.973 4.840 -10.814 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.581 3.386 -10.357 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.631 3.463 -11.828 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.693 1.219 -10.386 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.208 1.724 -11.166 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -14.981 1.937 -8.259 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.420 1.556 -8.958 1.00 0.00 H new ATOM 332 N LYS A 43 -16.492 5.951 -10.278 1.00 0.00 N ATOM 333 CA LYS A 43 -17.360 7.038 -9.848 1.00 0.00 C ATOM 334 C LYS A 43 -18.788 6.551 -9.624 1.00 0.00 C ATOM 335 O LYS A 43 -19.501 7.061 -8.760 1.00 0.00 O ATOM 336 CB LYS A 43 -17.351 8.171 -10.867 1.00 0.00 C ATOM 337 CG LYS A 43 -17.512 9.552 -10.253 1.00 0.00 C ATOM 338 CD LYS A 43 -17.363 10.649 -11.298 1.00 0.00 C ATOM 339 CE LYS A 43 -18.588 11.550 -11.339 1.00 0.00 C ATOM 340 NZ LYS A 43 -19.549 11.133 -12.397 1.00 0.00 N ATOM 0 H LYS A 43 -16.721 5.569 -11.196 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.972 7.412 -8.900 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.414 8.138 -11.424 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.155 8.007 -11.585 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -18.491 9.629 -9.780 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.768 9.692 -9.469 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.478 11.246 -11.077 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -17.207 10.200 -12.279 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -19.085 11.531 -10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -18.276 12.579 -11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -20.370 11.772 -12.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -19.083 11.175 -13.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -19.867 10.160 -12.213 1.00 0.00 H new ATOM 354 N LYS A 44 -19.196 5.569 -10.403 1.00 0.00 N ATOM 355 CA LYS A 44 -20.542 5.015 -10.299 1.00 0.00 C ATOM 356 C LYS A 44 -20.647 4.013 -9.146 1.00 0.00 C ATOM 357 O LYS A 44 -21.376 4.247 -8.182 1.00 0.00 O ATOM 358 CB LYS A 44 -20.952 4.357 -11.628 1.00 0.00 C ATOM 359 CG LYS A 44 -21.369 5.354 -12.686 1.00 0.00 C ATOM 360 CD LYS A 44 -21.332 4.736 -14.074 1.00 0.00 C ATOM 361 CE LYS A 44 -20.756 5.700 -15.098 1.00 0.00 C ATOM 362 NZ LYS A 44 -19.900 5.003 -16.097 1.00 0.00 N ATOM 0 H LYS A 44 -18.616 5.133 -11.120 1.00 0.00 H new ATOM 0 HA LYS A 44 -21.228 5.835 -10.086 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.118 3.765 -12.005 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -21.775 3.667 -11.445 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -22.376 5.714 -12.473 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.707 6.220 -12.654 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -20.733 3.826 -14.052 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -22.340 4.447 -14.372 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -21.569 6.213 -15.612 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -20.170 6.464 -14.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -19.527 5.695 -16.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -19.109 4.535 -15.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -20.465 4.291 -16.602 1.00 0.00 H new ATOM 376 N PRO A 45 -19.919 2.882 -9.221 1.00 0.00 N ATOM 377 CA PRO A 45 -19.946 1.858 -8.169 1.00 0.00 C ATOM 378 C PRO A 45 -19.467 2.399 -6.832 1.00 0.00 C ATOM 379 O PRO A 45 -18.995 3.533 -6.744 1.00 0.00 O ATOM 380 CB PRO A 45 -18.986 0.778 -8.683 1.00 0.00 C ATOM 381 CG PRO A 45 -18.139 1.466 -9.697 1.00 0.00 C ATOM 382 CD PRO A 45 -19.019 2.508 -10.323 1.00 0.00 C ATOM 0 HA PRO A 45 -20.956 1.490 -7.988 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -18.380 0.371 -7.874 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -19.531 -0.057 -9.124 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -17.264 1.920 -9.233 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -17.774 0.762 -10.445 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -18.443 3.361 -10.682 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -19.569 2.113 -11.177 1.00 0.00 H new ATOM 390 N PRO A 46 -19.579 1.592 -5.754 1.00 0.00 N ATOM 391 CA PRO A 46 -19.151 1.998 -4.411 1.00 0.00 C ATOM 392 C PRO A 46 -17.654 2.284 -4.345 1.00 0.00 C ATOM 393 O PRO A 46 -16.991 2.407 -5.374 1.00 0.00 O ATOM 394 CB PRO A 46 -19.505 0.792 -3.533 1.00 0.00 C ATOM 395 CG PRO A 46 -19.621 -0.355 -4.478 1.00 0.00 C ATOM 396 CD PRO A 46 -20.127 0.225 -5.776 1.00 0.00 C ATOM 0 HA PRO A 46 -19.635 2.922 -4.095 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -18.734 0.610 -2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -20.439 0.956 -2.996 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -18.657 -0.844 -4.619 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -20.308 -1.109 -4.094 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -19.772 -0.340 -6.638 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -21.216 0.226 -5.822 1.00 0.00 H new ATOM 404 N GLN A 47 -17.130 2.390 -3.136 1.00 0.00 N ATOM 405 CA GLN A 47 -15.710 2.665 -2.930 1.00 0.00 C ATOM 406 C GLN A 47 -15.052 1.565 -2.102 1.00 0.00 C ATOM 407 O GLN A 47 -14.897 1.696 -0.896 1.00 0.00 O ATOM 408 CB GLN A 47 -15.523 4.021 -2.245 1.00 0.00 C ATOM 409 CG GLN A 47 -15.065 5.120 -3.189 1.00 0.00 C ATOM 410 CD GLN A 47 -16.224 5.854 -3.844 1.00 0.00 C ATOM 411 OE1 GLN A 47 -16.387 5.827 -5.064 1.00 0.00 O ATOM 412 NE2 GLN A 47 -17.037 6.514 -3.028 1.00 0.00 N ATOM 0 H GLN A 47 -17.667 2.290 -2.274 1.00 0.00 H new ATOM 0 HA GLN A 47 -15.228 2.692 -3.907 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -16.465 4.319 -1.783 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -14.794 3.916 -1.442 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -14.453 5.834 -2.638 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -14.431 4.687 -3.963 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -16.864 6.510 -2.023 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.834 7.025 -3.406 1.00 0.00 H new ATOM 421 N ARG A 48 -14.664 0.482 -2.770 1.00 0.00 N ATOM 422 CA ARG A 48 -14.019 -0.641 -2.099 1.00 0.00 C ATOM 423 C ARG A 48 -12.553 -0.745 -2.516 1.00 0.00 C ATOM 424 O ARG A 48 -12.213 -0.576 -3.679 1.00 0.00 O ATOM 425 CB ARG A 48 -14.750 -1.946 -2.425 1.00 0.00 C ATOM 426 CG ARG A 48 -15.591 -2.477 -1.284 1.00 0.00 C ATOM 427 CD ARG A 48 -15.531 -3.994 -1.204 1.00 0.00 C ATOM 428 NE ARG A 48 -14.552 -4.453 -0.213 1.00 0.00 N ATOM 429 CZ ARG A 48 -14.257 -5.734 -0.003 1.00 0.00 C ATOM 430 NH1 ARG A 48 -14.862 -6.685 -0.703 1.00 0.00 N ATOM 431 NH2 ARG A 48 -13.354 -6.064 0.895 1.00 0.00 N ATOM 0 H ARG A 48 -14.785 0.359 -3.775 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.064 -0.470 -1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.391 -1.786 -3.292 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.017 -2.702 -2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.243 -2.048 -0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.625 -2.160 -1.415 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.516 -4.383 -0.947 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.273 -4.399 -2.183 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.070 -3.750 0.347 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.557 -6.436 -1.407 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.632 -7.665 -0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.879 -5.338 1.431 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.129 -7.046 1.055 1.00 0.00 H new ATOM 445 N LEU A 49 -11.688 -1.022 -1.537 1.00 0.00 N ATOM 446 CA LEU A 49 -10.260 -1.146 -1.802 1.00 0.00 C ATOM 447 C LEU A 49 -9.584 -2.033 -0.762 1.00 0.00 C ATOM 448 O LEU A 49 -9.968 -2.042 0.391 1.00 0.00 O ATOM 449 CB LEU A 49 -9.602 0.236 -1.814 1.00 0.00 C ATOM 450 CG LEU A 49 -8.083 0.231 -2.004 1.00 0.00 C ATOM 451 CD1 LEU A 49 -7.642 1.410 -2.849 1.00 0.00 C ATOM 452 CD2 LEU A 49 -7.386 0.258 -0.652 1.00 0.00 C ATOM 0 H LEU A 49 -11.953 -1.163 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.138 -1.610 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.050 0.828 -2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.833 0.740 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.804 -0.684 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.559 1.386 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.118 1.355 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.931 2.339 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.306 0.254 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.675 1.159 -0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.677 -0.620 -0.075 1.00 0.00 H new ATOM 464 N GLU A 50 -8.572 -2.777 -1.198 1.00 0.00 N ATOM 465 CA GLU A 50 -7.836 -3.667 -0.316 1.00 0.00 C ATOM 466 C GLU A 50 -6.333 -3.532 -0.533 1.00 0.00 C ATOM 467 O GLU A 50 -5.882 -3.317 -1.658 1.00 0.00 O ATOM 468 CB GLU A 50 -8.269 -5.118 -0.527 1.00 0.00 C ATOM 469 CG GLU A 50 -8.292 -5.532 -1.990 1.00 0.00 C ATOM 470 CD GLU A 50 -9.329 -6.599 -2.277 1.00 0.00 C ATOM 471 OE1 GLU A 50 -10.498 -6.414 -1.878 1.00 0.00 O ATOM 472 OE2 GLU A 50 -8.972 -7.621 -2.901 1.00 0.00 O ATOM 0 H GLU A 50 -8.244 -2.778 -2.164 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.063 -3.380 0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.592 -5.775 0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.262 -5.259 -0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.495 -4.658 -2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.307 -5.902 -2.275 1.00 0.00 H new ATOM 479 N TRP A 51 -5.562 -3.656 0.527 1.00 0.00 N ATOM 480 CA TRP A 51 -4.111 -3.542 0.448 1.00 0.00 C ATOM 481 C TRP A 51 -3.453 -4.919 0.415 1.00 0.00 C ATOM 482 O TRP A 51 -3.767 -5.784 1.233 1.00 0.00 O ATOM 483 CB TRP A 51 -3.570 -2.725 1.624 1.00 0.00 C ATOM 484 CG TRP A 51 -2.620 -1.645 1.198 1.00 0.00 C ATOM 485 CD1 TRP A 51 -2.843 -0.672 0.267 1.00 0.00 C ATOM 486 CD2 TRP A 51 -1.294 -1.431 1.695 1.00 0.00 C ATOM 487 NE1 TRP A 51 -1.737 0.135 0.155 1.00 0.00 N ATOM 488 CE2 TRP A 51 -0.773 -0.310 1.021 1.00 0.00 C ATOM 489 CE3 TRP A 51 -0.497 -2.075 2.645 1.00 0.00 C ATOM 490 CZ2 TRP A 51 0.508 0.179 1.267 1.00 0.00 C ATOM 491 CZ3 TRP A 51 0.774 -1.590 2.896 1.00 0.00 C ATOM 492 CH2 TRP A 51 1.266 -0.473 2.202 1.00 0.00 C ATOM 0 H TRP A 51 -5.916 -3.838 1.466 1.00 0.00 H new ATOM 0 HA TRP A 51 -3.867 -3.025 -0.480 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.405 -2.276 2.162 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.064 -3.393 2.321 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.755 -0.554 -0.299 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.648 0.935 -0.471 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.868 -2.939 3.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.889 1.041 0.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.395 -2.076 3.634 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.265 -0.120 2.411 1.00 0.00 H new ATOM 503 N LYS A 52 -2.538 -5.112 -0.513 1.00 0.00 N ATOM 504 CA LYS A 52 -1.831 -6.379 -0.649 1.00 0.00 C ATOM 505 C LYS A 52 -0.389 -6.148 -1.090 1.00 0.00 C ATOM 506 O LYS A 52 -0.128 -5.374 -2.010 1.00 0.00 O ATOM 507 CB LYS A 52 -2.549 -7.283 -1.654 1.00 0.00 C ATOM 508 CG LYS A 52 -3.312 -8.426 -1.005 1.00 0.00 C ATOM 509 CD LYS A 52 -3.802 -9.425 -2.048 1.00 0.00 C ATOM 510 CE LYS A 52 -4.855 -10.355 -1.461 1.00 0.00 C ATOM 511 NZ LYS A 52 -4.879 -11.671 -2.157 1.00 0.00 N ATOM 0 H LYS A 52 -2.261 -4.403 -1.192 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.821 -6.870 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.243 -6.681 -2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.817 -7.694 -2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.669 -8.933 -0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.162 -8.030 -0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.219 -8.890 -2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.961 -10.011 -2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.654 -10.508 -0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.836 -9.886 -1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.608 -12.277 -1.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.095 -11.527 -3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.950 -12.130 -2.064 1.00 0.00 H new ATOM 525 N LEU A 53 0.545 -6.823 -0.426 1.00 0.00 N ATOM 526 CA LEU A 53 1.960 -6.687 -0.760 1.00 0.00 C ATOM 527 C LEU A 53 2.680 -8.025 -0.630 1.00 0.00 C ATOM 528 O LEU A 53 2.208 -8.938 0.031 1.00 0.00 O ATOM 529 CB LEU A 53 2.618 -5.655 0.150 1.00 0.00 C ATOM 530 CG LEU A 53 2.277 -5.800 1.634 1.00 0.00 C ATOM 531 CD1 LEU A 53 3.277 -6.715 2.332 1.00 0.00 C ATOM 532 CD2 LEU A 53 2.245 -4.436 2.316 1.00 0.00 C ATOM 0 H LEU A 53 0.350 -7.466 0.342 1.00 0.00 H new ATOM 0 HA LEU A 53 2.034 -6.353 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.699 -5.723 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.323 -4.659 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 53 1.287 -6.249 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.015 -6.803 3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.253 -7.701 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.279 -6.295 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.001 -4.562 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.221 -3.960 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.490 -3.809 1.841 1.00 0.00 H new ATOM 544 N ASN A 54 3.830 -8.133 -1.289 1.00 0.00 N ATOM 545 CA ASN A 54 4.621 -9.358 -1.255 1.00 0.00 C ATOM 546 C ASN A 54 6.018 -9.085 -0.705 1.00 0.00 C ATOM 547 O ASN A 54 6.771 -8.287 -1.265 1.00 0.00 O ATOM 548 CB ASN A 54 4.717 -9.968 -2.664 1.00 0.00 C ATOM 549 CG ASN A 54 4.123 -11.361 -2.722 1.00 0.00 C ATOM 550 OD1 ASN A 54 2.922 -11.527 -2.933 1.00 0.00 O ATOM 551 ND2 ASN A 54 4.964 -12.373 -2.543 1.00 0.00 N ATOM 0 H ASN A 54 4.235 -7.386 -1.853 1.00 0.00 H new ATOM 0 HA ASN A 54 4.124 -10.068 -0.594 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.199 -9.323 -3.374 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.762 -10.006 -2.972 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.621 -13.333 -2.578 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.953 -12.190 -2.371 1.00 0.00 H new ATOM 558 N THR A 55 6.356 -9.749 0.379 1.00 0.00 N ATOM 559 CA THR A 55 7.662 -9.575 1.005 1.00 0.00 C ATOM 560 C THR A 55 8.209 -10.908 1.505 1.00 0.00 C ATOM 561 O THR A 55 7.451 -11.834 1.800 1.00 0.00 O ATOM 562 CB THR A 55 7.566 -8.582 2.166 1.00 0.00 C ATOM 563 OG1 THR A 55 6.236 -8.499 2.647 1.00 0.00 O ATOM 564 CG2 THR A 55 8.005 -7.183 1.794 1.00 0.00 C ATOM 0 H THR A 55 5.747 -10.418 0.851 1.00 0.00 H new ATOM 0 HA THR A 55 8.347 -9.181 0.254 1.00 0.00 H new ATOM 0 HB THR A 55 8.240 -8.967 2.931 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.196 -7.861 3.390 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.912 -6.530 2.662 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.044 -7.203 1.464 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.376 -6.807 0.987 1.00 0.00 H new ATOM 572 N GLY A 56 9.532 -10.997 1.606 1.00 0.00 N ATOM 573 CA GLY A 56 10.158 -12.219 2.080 1.00 0.00 C ATOM 574 C GLY A 56 9.814 -12.531 3.515 1.00 0.00 C ATOM 575 O GLY A 56 9.344 -13.625 3.826 1.00 0.00 O ATOM 0 H GLY A 56 10.181 -10.247 1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.847 -13.050 1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.240 -12.130 1.981 1.00 0.00 H new ATOM 579 N ARG A 57 10.048 -11.565 4.397 1.00 0.00 N ATOM 580 CA ARG A 57 9.759 -11.737 5.824 1.00 0.00 C ATOM 581 C ARG A 57 8.273 -11.537 6.107 1.00 0.00 C ATOM 582 O ARG A 57 7.801 -11.844 7.208 1.00 0.00 O ATOM 583 CB ARG A 57 10.584 -10.754 6.647 1.00 0.00 C ATOM 584 CG ARG A 57 11.115 -11.347 7.942 1.00 0.00 C ATOM 585 CD ARG A 57 9.994 -11.616 8.934 1.00 0.00 C ATOM 586 NE ARG A 57 10.502 -11.895 10.274 1.00 0.00 N ATOM 587 CZ ARG A 57 10.959 -13.085 10.662 1.00 0.00 C ATOM 588 NH1 ARG A 57 10.976 -14.106 9.814 1.00 0.00 N ATOM 589 NH2 ARG A 57 11.402 -13.253 11.908 1.00 0.00 N ATOM 0 H ARG A 57 10.437 -10.654 4.153 1.00 0.00 H new ATOM 0 HA ARG A 57 10.028 -12.755 6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 57 11.423 -10.403 6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.972 -9.883 6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.643 -12.276 7.728 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.839 -10.664 8.386 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.329 -10.753 8.971 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.400 -12.462 8.588 1.00 0.00 H new ATOM 0 HE ARG A 57 10.507 -11.134 10.953 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.638 -13.982 8.860 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.327 -15.015 10.117 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.391 -12.471 12.563 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.752 -14.163 12.206 1.00 0.00 H new ATOM 603 N THR A 58 7.540 -11.014 5.125 1.00 0.00 N ATOM 604 CA THR A 58 6.109 -10.771 5.292 1.00 0.00 C ATOM 605 C THR A 58 5.865 -9.586 6.218 1.00 0.00 C ATOM 606 O THR A 58 6.750 -8.754 6.424 1.00 0.00 O ATOM 607 CB THR A 58 5.406 -12.026 5.815 1.00 0.00 C ATOM 608 OG1 THR A 58 6.181 -13.183 5.564 1.00 0.00 O ATOM 609 CG2 THR A 58 4.038 -12.247 5.216 1.00 0.00 C ATOM 0 H THR A 58 7.911 -10.752 4.212 1.00 0.00 H new ATOM 0 HA THR A 58 5.688 -10.527 4.316 1.00 0.00 H new ATOM 0 HB THR A 58 5.288 -11.858 6.885 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.712 -13.972 5.908 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.600 -13.154 5.633 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.398 -11.396 5.447 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.127 -12.351 4.135 1.00 0.00 H new ATOM 617 N GLU A 59 4.662 -9.512 6.787 1.00 0.00 N ATOM 618 CA GLU A 59 4.304 -8.425 7.697 1.00 0.00 C ATOM 619 C GLU A 59 4.011 -7.145 6.923 1.00 0.00 C ATOM 620 O GLU A 59 4.417 -6.998 5.770 1.00 0.00 O ATOM 621 CB GLU A 59 5.423 -8.177 8.714 1.00 0.00 C ATOM 622 CG GLU A 59 4.950 -7.480 9.988 1.00 0.00 C ATOM 623 CD GLU A 59 5.523 -6.083 10.125 1.00 0.00 C ATOM 624 OE1 GLU A 59 4.963 -5.145 9.528 1.00 0.00 O ATOM 625 OE2 GLU A 59 6.533 -5.928 10.852 1.00 0.00 O ATOM 0 H GLU A 59 3.918 -10.193 6.633 1.00 0.00 H new ATOM 0 HA GLU A 59 3.403 -8.722 8.234 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.879 -9.131 8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.200 -7.572 8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.861 -7.426 9.987 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.239 -8.075 10.854 1.00 0.00 H new ATOM 632 N ALA A 60 3.297 -6.220 7.565 1.00 0.00 N ATOM 633 CA ALA A 60 2.936 -4.947 6.952 1.00 0.00 C ATOM 634 C ALA A 60 1.769 -5.103 5.969 1.00 0.00 C ATOM 635 O ALA A 60 1.320 -4.127 5.369 1.00 0.00 O ATOM 636 CB ALA A 60 4.138 -4.336 6.234 1.00 0.00 C ATOM 0 H ALA A 60 2.955 -6.333 8.519 1.00 0.00 H new ATOM 0 HA ALA A 60 2.619 -4.280 7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.849 -3.387 5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.942 -4.167 6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.482 -5.017 5.456 1.00 0.00 H new ATOM 642 N TRP A 61 1.277 -6.331 5.815 1.00 0.00 N ATOM 643 CA TRP A 61 0.163 -6.599 4.924 1.00 0.00 C ATOM 644 C TRP A 61 -1.168 -6.464 5.651 1.00 0.00 C ATOM 645 O TRP A 61 -1.457 -7.222 6.584 1.00 0.00 O ATOM 646 CB TRP A 61 0.298 -8.002 4.315 1.00 0.00 C ATOM 647 CG TRP A 61 -0.898 -8.438 3.532 1.00 0.00 C ATOM 648 CD1 TRP A 61 -1.610 -7.688 2.634 1.00 0.00 C ATOM 649 CD2 TRP A 61 -1.522 -9.727 3.553 1.00 0.00 C ATOM 650 NE1 TRP A 61 -2.639 -8.432 2.107 1.00 0.00 N ATOM 651 CE2 TRP A 61 -2.605 -9.686 2.664 1.00 0.00 C ATOM 652 CE3 TRP A 61 -1.268 -10.911 4.251 1.00 0.00 C ATOM 653 CZ2 TRP A 61 -3.433 -10.785 2.439 1.00 0.00 C ATOM 654 CZ3 TRP A 61 -2.091 -12.000 4.044 1.00 0.00 C ATOM 655 CH2 TRP A 61 -3.161 -11.931 3.135 1.00 0.00 C ATOM 0 H TRP A 61 1.637 -7.154 6.299 1.00 0.00 H new ATOM 0 HA TRP A 61 0.185 -5.860 4.123 1.00 0.00 H new ATOM 0 HB2 TRP A 61 1.173 -8.023 3.666 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.478 -8.720 5.116 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -1.394 -6.661 2.377 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.315 -8.106 1.417 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -0.440 -10.973 4.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -4.257 -10.734 1.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.911 -12.916 4.587 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.782 -12.802 2.983 1.00 0.00 H new ATOM 666 N LYS A 62 -1.974 -5.493 5.235 1.00 0.00 N ATOM 667 CA LYS A 62 -3.272 -5.260 5.857 1.00 0.00 C ATOM 668 C LYS A 62 -4.367 -5.118 4.806 1.00 0.00 C ATOM 669 O LYS A 62 -4.109 -4.702 3.677 1.00 0.00 O ATOM 670 CB LYS A 62 -3.225 -4.007 6.740 1.00 0.00 C ATOM 671 CG LYS A 62 -4.526 -3.724 7.465 1.00 0.00 C ATOM 672 CD LYS A 62 -5.391 -2.733 6.712 1.00 0.00 C ATOM 673 CE LYS A 62 -6.524 -2.206 7.567 1.00 0.00 C ATOM 674 NZ LYS A 62 -7.240 -3.303 8.277 1.00 0.00 N ATOM 0 H LYS A 62 -1.752 -4.855 4.471 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.505 -6.124 6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.427 -4.120 7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.969 -3.147 6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.076 -4.655 7.601 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.310 -3.334 8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.776 -1.900 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.800 -3.212 5.822 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.130 -1.498 8.296 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.228 -1.659 6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.106 -2.927 8.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.491 -4.050 7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.624 -3.699 9.015 1.00 0.00 H new ATOM 688 N VAL A 63 -5.591 -5.468 5.186 1.00 0.00 N ATOM 689 CA VAL A 63 -6.729 -5.377 4.288 1.00 0.00 C ATOM 690 C VAL A 63 -7.812 -4.472 4.858 1.00 0.00 C ATOM 691 O VAL A 63 -8.103 -4.523 6.054 1.00 0.00 O ATOM 692 CB VAL A 63 -7.327 -6.769 3.991 1.00 0.00 C ATOM 693 CG1 VAL A 63 -7.860 -7.403 5.267 1.00 0.00 C ATOM 694 CG2 VAL A 63 -8.419 -6.674 2.934 1.00 0.00 C ATOM 0 H VAL A 63 -5.818 -5.819 6.116 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.362 -4.947 3.356 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.535 -7.406 3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.278 -8.384 5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.048 -7.513 5.986 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.637 -6.767 5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.826 -7.667 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.214 -6.019 3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.000 -6.268 2.013 1.00 0.00 H new ATOM 704 N LEU A 64 -8.407 -3.644 4.006 1.00 0.00 N ATOM 705 CA LEU A 64 -9.455 -2.730 4.441 1.00 0.00 C ATOM 706 C LEU A 64 -10.831 -3.371 4.302 1.00 0.00 C ATOM 707 O LEU A 64 -11.235 -3.771 3.210 1.00 0.00 O ATOM 708 CB LEU A 64 -9.403 -1.432 3.634 1.00 0.00 C ATOM 709 CG LEU A 64 -8.238 -0.502 3.977 1.00 0.00 C ATOM 710 CD1 LEU A 64 -6.975 -0.934 3.247 1.00 0.00 C ATOM 711 CD2 LEU A 64 -8.588 0.938 3.633 1.00 0.00 C ATOM 0 H LEU A 64 -8.182 -3.587 3.013 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.284 -2.502 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.348 -1.683 2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.337 -0.890 3.785 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.052 -0.565 5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.158 -0.260 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.714 -1.950 3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.147 -0.901 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.748 1.586 3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.801 1.016 2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.466 1.245 4.202 1.00 0.00 H new ATOM 723 N SER A 65 -11.544 -3.463 5.418 1.00 0.00 N ATOM 724 CA SER A 65 -12.877 -4.054 5.431 1.00 0.00 C ATOM 725 C SER A 65 -13.867 -3.144 6.155 1.00 0.00 C ATOM 726 O SER A 65 -13.468 -2.220 6.863 1.00 0.00 O ATOM 727 CB SER A 65 -12.843 -5.429 6.102 1.00 0.00 C ATOM 728 OG SER A 65 -11.515 -5.911 6.220 1.00 0.00 O ATOM 0 H SER A 65 -11.221 -3.135 6.328 1.00 0.00 H new ATOM 0 HA SER A 65 -13.206 -4.171 4.399 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.298 -5.365 7.090 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.438 -6.134 5.522 1.00 0.00 H new ATOM 0 HG SER A 65 -11.523 -6.790 6.654 1.00 0.00 H new ATOM 734 N PRO A 66 -15.177 -3.397 5.989 1.00 0.00 N ATOM 735 CA PRO A 66 -16.222 -2.595 6.635 1.00 0.00 C ATOM 736 C PRO A 66 -16.247 -2.782 8.150 1.00 0.00 C ATOM 737 O PRO A 66 -16.910 -2.031 8.865 1.00 0.00 O ATOM 738 CB PRO A 66 -17.515 -3.120 6.009 1.00 0.00 C ATOM 739 CG PRO A 66 -17.189 -4.506 5.569 1.00 0.00 C ATOM 740 CD PRO A 66 -15.741 -4.482 5.165 1.00 0.00 C ATOM 0 HA PRO A 66 -16.064 -1.527 6.484 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.333 -3.116 6.729 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -17.827 -2.501 5.168 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.358 -5.221 6.374 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.822 -4.810 4.735 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.252 -5.435 5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.624 -4.281 4.100 1.00 0.00 H new ATOM 748 N GLN A 67 -15.520 -3.786 8.633 1.00 0.00 N ATOM 749 CA GLN A 67 -15.461 -4.068 10.063 1.00 0.00 C ATOM 750 C GLN A 67 -14.214 -4.877 10.407 1.00 0.00 C ATOM 751 O GLN A 67 -14.250 -6.107 10.442 1.00 0.00 O ATOM 752 CB GLN A 67 -16.716 -4.825 10.506 1.00 0.00 C ATOM 753 CG GLN A 67 -17.292 -4.332 11.823 1.00 0.00 C ATOM 754 CD GLN A 67 -18.805 -4.424 11.876 1.00 0.00 C ATOM 755 OE1 GLN A 67 -19.371 -5.108 12.728 1.00 0.00 O ATOM 756 NE2 GLN A 67 -19.467 -3.733 10.949 1.00 0.00 N ATOM 0 H GLN A 67 -14.964 -4.417 8.055 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.412 -3.118 10.595 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.477 -4.735 9.730 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.477 -5.885 10.598 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.869 -4.916 12.640 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -16.990 -3.297 11.981 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -18.954 -3.180 10.263 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -20.486 -3.757 10.926 1.00 0.00 H new ATOM 765 N GLY A 68 -13.111 -4.178 10.659 1.00 0.00 N ATOM 766 CA GLY A 68 -11.869 -4.850 11.004 1.00 0.00 C ATOM 767 C GLY A 68 -10.760 -3.878 11.346 1.00 0.00 C ATOM 768 O GLY A 68 -11.009 -2.690 11.555 1.00 0.00 O ATOM 0 H GLY A 68 -13.054 -3.160 10.631 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.042 -5.513 11.852 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.554 -5.476 10.169 1.00 0.00 H new ATOM 772 N GLY A 69 -9.532 -4.382 11.414 1.00 0.00 N ATOM 773 CA GLY A 69 -8.399 -3.538 11.742 1.00 0.00 C ATOM 774 C GLY A 69 -7.177 -4.338 12.149 1.00 0.00 C ATOM 775 O GLY A 69 -7.294 -5.364 12.819 1.00 0.00 O ATOM 0 H GLY A 69 -9.302 -5.362 11.247 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.152 -2.916 10.881 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.675 -2.864 12.553 1.00 0.00 H new ATOM 779 N GLY A 70 -6.001 -3.868 11.752 1.00 0.00 N ATOM 780 CA GLY A 70 -4.771 -4.561 12.081 1.00 0.00 C ATOM 781 C GLY A 70 -3.672 -3.612 12.532 1.00 0.00 C ATOM 782 O GLY A 70 -3.833 -2.394 12.447 1.00 0.00 O ATOM 0 H GLY A 70 -5.877 -3.016 11.206 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.966 -5.287 12.870 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.429 -5.121 11.211 1.00 0.00 H new ATOM 786 N PRO A 71 -2.533 -4.146 12.997 1.00 0.00 N ATOM 787 CA PRO A 71 -1.405 -3.328 13.460 1.00 0.00 C ATOM 788 C PRO A 71 -0.975 -2.301 12.411 1.00 0.00 C ATOM 789 O PRO A 71 -0.410 -1.259 12.746 1.00 0.00 O ATOM 790 CB PRO A 71 -0.290 -4.351 13.692 1.00 0.00 C ATOM 791 CG PRO A 71 -1.001 -5.632 13.950 1.00 0.00 C ATOM 792 CD PRO A 71 -2.256 -5.589 13.123 1.00 0.00 C ATOM 0 HA PRO A 71 -1.657 -2.749 14.348 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.363 -4.429 12.823 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.337 -4.069 14.538 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.381 -6.484 13.672 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.236 -5.740 15.009 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.112 -6.057 12.149 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.077 -6.115 13.611 1.00 0.00 H new ATOM 800 N TRP A 72 -1.245 -2.600 11.152 1.00 0.00 N ATOM 801 CA TRP A 72 -0.885 -1.704 10.051 1.00 0.00 C ATOM 802 C TRP A 72 -1.495 -0.319 10.256 1.00 0.00 C ATOM 803 O TRP A 72 -0.978 0.675 9.739 1.00 0.00 O ATOM 804 CB TRP A 72 -1.344 -2.288 8.713 1.00 0.00 C ATOM 805 CG TRP A 72 -0.803 -1.552 7.527 1.00 0.00 C ATOM 806 CD1 TRP A 72 0.456 -1.646 7.007 1.00 0.00 C ATOM 807 CD2 TRP A 72 -1.504 -0.606 6.710 1.00 0.00 C ATOM 808 NE1 TRP A 72 0.580 -0.819 5.918 1.00 0.00 N ATOM 809 CE2 TRP A 72 -0.610 -0.169 5.715 1.00 0.00 C ATOM 810 CE3 TRP A 72 -2.803 -0.088 6.723 1.00 0.00 C ATOM 811 CZ2 TRP A 72 -0.972 0.761 4.752 1.00 0.00 C ATOM 812 CZ3 TRP A 72 -3.161 0.836 5.759 1.00 0.00 C ATOM 813 CH2 TRP A 72 -2.248 1.252 4.781 1.00 0.00 C ATOM 0 H TRP A 72 -1.714 -3.458 10.860 1.00 0.00 H new ATOM 0 HA TRP A 72 0.200 -1.605 10.038 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -1.035 -3.332 8.655 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.433 -2.275 8.674 1.00 0.00 H new ATOM 0 HD1 TRP A 72 1.240 -2.279 7.396 1.00 0.00 H new ATOM 0 HE1 TRP A 72 1.421 -0.706 5.352 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.514 -0.404 7.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.267 1.088 4.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -4.161 1.244 5.760 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.557 1.972 4.038 1.00 0.00 H new ATOM 824 N ASP A 73 -2.598 -0.259 10.989 1.00 0.00 N ATOM 825 CA ASP A 73 -3.275 1.008 11.251 1.00 0.00 C ATOM 826 C ASP A 73 -2.310 2.032 11.842 1.00 0.00 C ATOM 827 O ASP A 73 -2.287 3.190 11.426 1.00 0.00 O ATOM 828 CB ASP A 73 -4.452 0.793 12.212 1.00 0.00 C ATOM 829 CG ASP A 73 -5.392 1.983 12.239 1.00 0.00 C ATOM 830 OD1 ASP A 73 -6.307 2.042 11.390 1.00 0.00 O ATOM 831 OD2 ASP A 73 -5.212 2.856 13.114 1.00 0.00 O ATOM 0 H ASP A 73 -3.045 -1.072 11.414 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.649 1.391 10.302 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.005 -0.098 11.914 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.070 0.610 13.217 1.00 0.00 H new ATOM 836 N SER A 74 -1.510 1.595 12.816 1.00 0.00 N ATOM 837 CA SER A 74 -0.540 2.473 13.460 1.00 0.00 C ATOM 838 C SER A 74 0.703 2.646 12.582 1.00 0.00 C ATOM 839 O SER A 74 1.462 3.600 12.750 1.00 0.00 O ATOM 840 CB SER A 74 -0.146 1.917 14.821 1.00 0.00 C ATOM 841 OG SER A 74 -0.020 2.955 15.777 1.00 0.00 O ATOM 0 H SER A 74 -1.517 0.640 13.174 1.00 0.00 H new ATOM 0 HA SER A 74 -1.003 3.450 13.598 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.895 1.199 15.155 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.798 1.378 14.738 1.00 0.00 H new ATOM 0 HG SER A 74 0.232 2.573 16.644 1.00 0.00 H new ATOM 847 N VAL A 75 0.903 1.718 11.651 1.00 0.00 N ATOM 848 CA VAL A 75 2.051 1.768 10.754 1.00 0.00 C ATOM 849 C VAL A 75 1.784 2.691 9.571 1.00 0.00 C ATOM 850 O VAL A 75 2.698 3.333 9.054 1.00 0.00 O ATOM 851 CB VAL A 75 2.411 0.367 10.225 1.00 0.00 C ATOM 852 CG1 VAL A 75 3.720 0.407 9.453 1.00 0.00 C ATOM 853 CG2 VAL A 75 2.488 -0.633 11.376 1.00 0.00 C ATOM 0 H VAL A 75 0.284 0.922 11.499 1.00 0.00 H new ATOM 0 HA VAL A 75 2.888 2.157 11.333 1.00 0.00 H new ATOM 0 HB VAL A 75 1.626 0.042 9.542 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.957 -0.592 9.087 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.624 1.089 8.608 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.519 0.753 10.109 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.743 -1.618 10.986 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.253 -0.314 12.084 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.523 -0.682 11.881 1.00 0.00 H new ATOM 863 N ALA A 76 0.526 2.750 9.146 1.00 0.00 N ATOM 864 CA ALA A 76 0.140 3.595 8.021 1.00 0.00 C ATOM 865 C ALA A 76 -1.377 3.649 7.869 1.00 0.00 C ATOM 866 O ALA A 76 -2.054 2.625 7.948 1.00 0.00 O ATOM 867 CB ALA A 76 0.782 3.091 6.739 1.00 0.00 C ATOM 0 H ALA A 76 -0.242 2.224 9.562 1.00 0.00 H new ATOM 0 HA ALA A 76 0.495 4.606 8.220 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.485 3.731 5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.867 3.111 6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.455 2.069 6.545 1.00 0.00 H new ATOM 873 N ARG A 77 -1.903 4.852 7.658 1.00 0.00 N ATOM 874 CA ARG A 77 -3.339 5.040 7.494 1.00 0.00 C ATOM 875 C ARG A 77 -3.660 5.590 6.116 1.00 0.00 C ATOM 876 O ARG A 77 -2.877 6.344 5.531 1.00 0.00 O ATOM 877 CB ARG A 77 -3.879 5.984 8.571 1.00 0.00 C ATOM 878 CG ARG A 77 -5.154 5.485 9.227 1.00 0.00 C ATOM 879 CD ARG A 77 -4.853 4.562 10.391 1.00 0.00 C ATOM 880 NE ARG A 77 -5.588 4.936 11.604 1.00 0.00 N ATOM 881 CZ ARG A 77 -5.223 5.922 12.420 1.00 0.00 C ATOM 882 NH1 ARG A 77 -4.134 6.636 12.157 1.00 0.00 N ATOM 883 NH2 ARG A 77 -5.949 6.196 13.496 1.00 0.00 N ATOM 0 H ARG A 77 -1.356 5.710 7.597 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.820 4.068 7.599 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.116 6.124 9.337 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.067 6.961 8.126 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.741 6.334 9.577 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.762 4.958 8.491 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.108 3.539 10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.783 4.579 10.598 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.430 4.409 11.836 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.576 6.429 11.329 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.856 7.391 12.783 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.787 5.651 13.698 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.669 6.952 14.121 1.00 0.00 H new ATOM 897 N VAL A 78 -4.818 5.206 5.588 1.00 0.00 N ATOM 898 CA VAL A 78 -5.244 5.661 4.261 1.00 0.00 C ATOM 899 C VAL A 78 -6.048 6.953 4.358 1.00 0.00 C ATOM 900 O VAL A 78 -7.092 6.999 5.009 1.00 0.00 O ATOM 901 CB VAL A 78 -6.095 4.594 3.547 1.00 0.00 C ATOM 902 CG1 VAL A 78 -6.367 5.001 2.107 1.00 0.00 C ATOM 903 CG2 VAL A 78 -5.411 3.237 3.606 1.00 0.00 C ATOM 0 H VAL A 78 -5.479 4.583 6.053 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.338 5.840 3.681 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.052 4.515 4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.969 4.234 1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.905 5.949 2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.422 5.112 1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.027 2.496 3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.439 3.298 3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.276 2.943 4.647 1.00 0.00 H new ATOM 913 N LEU A 79 -5.557 8.002 3.706 1.00 0.00 N ATOM 914 CA LEU A 79 -6.233 9.293 3.719 1.00 0.00 C ATOM 915 C LEU A 79 -7.567 9.216 2.982 1.00 0.00 C ATOM 916 O LEU A 79 -7.729 8.415 2.068 1.00 0.00 O ATOM 917 CB LEU A 79 -5.346 10.365 3.082 1.00 0.00 C ATOM 918 CG LEU A 79 -4.147 10.799 3.936 1.00 0.00 C ATOM 919 CD1 LEU A 79 -2.928 11.033 3.056 1.00 0.00 C ATOM 920 CD2 LEU A 79 -4.481 12.054 4.728 1.00 0.00 C ATOM 0 H LEU A 79 -4.694 7.983 3.163 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.427 9.563 4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.977 9.991 2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.957 11.242 2.867 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.918 10.000 4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.086 11.340 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.676 10.111 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.148 11.815 2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.619 12.346 5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.736 12.861 4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.328 11.855 5.384 1.00 0.00 H new ATOM 932 N PRO A 80 -8.542 10.053 3.379 1.00 0.00 N ATOM 933 CA PRO A 80 -9.869 10.082 2.754 1.00 0.00 C ATOM 934 C PRO A 80 -9.803 10.328 1.250 1.00 0.00 C ATOM 935 O PRO A 80 -10.755 10.038 0.532 1.00 0.00 O ATOM 936 CB PRO A 80 -10.584 11.247 3.464 1.00 0.00 C ATOM 937 CG PRO A 80 -9.504 12.028 4.127 1.00 0.00 C ATOM 938 CD PRO A 80 -8.427 11.039 4.472 1.00 0.00 C ATOM 0 HA PRO A 80 -10.383 9.127 2.859 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -11.134 11.863 2.752 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.307 10.879 4.192 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.122 12.805 3.465 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.877 12.527 5.022 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.441 11.504 4.498 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.591 10.584 5.449 1.00 0.00 H new ATOM 946 N ASN A 81 -8.679 10.862 0.792 1.00 0.00 N ATOM 947 CA ASN A 81 -8.498 11.142 -0.619 1.00 0.00 C ATOM 948 C ASN A 81 -7.940 9.925 -1.362 1.00 0.00 C ATOM 949 O ASN A 81 -7.521 10.033 -2.514 1.00 0.00 O ATOM 950 CB ASN A 81 -7.568 12.339 -0.807 1.00 0.00 C ATOM 951 CG ASN A 81 -8.252 13.499 -1.512 1.00 0.00 C ATOM 952 OD1 ASN A 81 -9.310 13.338 -2.111 1.00 0.00 O ATOM 953 ND2 ASN A 81 -7.647 14.679 -1.419 1.00 0.00 N ATOM 0 H ASN A 81 -7.882 11.108 1.379 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.476 11.377 -1.039 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.206 12.671 0.166 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.695 12.031 -1.383 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.062 15.501 -1.857 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.767 14.762 -0.909 1.00 0.00 H new ATOM 960 N GLY A 82 -7.938 8.771 -0.699 1.00 0.00 N ATOM 961 CA GLY A 82 -7.429 7.562 -1.328 1.00 0.00 C ATOM 962 C GLY A 82 -5.916 7.544 -1.393 1.00 0.00 C ATOM 963 O GLY A 82 -5.342 7.193 -2.425 1.00 0.00 O ATOM 0 H GLY A 82 -8.277 8.651 0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.777 6.691 -0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.835 7.480 -2.336 1.00 0.00 H new ATOM 967 N SER A 83 -5.267 7.926 -0.298 1.00 0.00 N ATOM 968 CA SER A 83 -3.812 7.955 -0.252 1.00 0.00 C ATOM 969 C SER A 83 -3.288 7.054 0.854 1.00 0.00 C ATOM 970 O SER A 83 -4.056 6.349 1.509 1.00 0.00 O ATOM 971 CB SER A 83 -3.320 9.386 -0.031 1.00 0.00 C ATOM 972 OG SER A 83 -1.958 9.520 -0.399 1.00 0.00 O ATOM 0 H SER A 83 -5.724 8.218 0.565 1.00 0.00 H new ATOM 0 HA SER A 83 -3.434 7.588 -1.206 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.927 10.077 -0.615 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.445 9.659 1.017 1.00 0.00 H new ATOM 0 HG SER A 83 -1.710 8.793 -1.007 1.00 0.00 H new ATOM 978 N LEU A 84 -1.976 7.085 1.072 1.00 0.00 N ATOM 979 CA LEU A 84 -1.347 6.275 2.108 1.00 0.00 C ATOM 980 C LEU A 84 -0.136 6.995 2.687 1.00 0.00 C ATOM 981 O LEU A 84 0.849 7.241 2.000 1.00 0.00 O ATOM 982 CB LEU A 84 -0.924 4.919 1.533 1.00 0.00 C ATOM 983 CG LEU A 84 -1.041 3.746 2.516 1.00 0.00 C ATOM 984 CD1 LEU A 84 -1.513 2.494 1.785 1.00 0.00 C ATOM 985 CD2 LEU A 84 0.290 3.494 3.208 1.00 0.00 C ATOM 0 H LEU A 84 -1.326 7.666 0.542 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.071 6.113 2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.535 4.704 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.109 4.989 1.192 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.777 4.001 3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.592 1.668 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.488 2.681 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.797 2.236 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.187 2.659 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.048 3.256 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.589 4.387 3.757 1.00 0.00 H new ATOM 997 N PHE A 85 -0.221 7.337 3.976 1.00 0.00 N ATOM 998 CA PHE A 85 0.865 8.035 4.647 1.00 0.00 C ATOM 999 C PHE A 85 1.469 7.171 5.751 1.00 0.00 C ATOM 1000 O PHE A 85 0.750 6.606 6.584 1.00 0.00 O ATOM 1001 CB PHE A 85 0.355 9.355 5.240 1.00 0.00 C ATOM 1002 CG PHE A 85 1.386 10.105 6.031 1.00 0.00 C ATOM 1003 CD1 PHE A 85 2.700 10.178 5.598 1.00 0.00 C ATOM 1004 CD2 PHE A 85 1.038 10.733 7.224 1.00 0.00 C ATOM 1005 CE1 PHE A 85 3.648 10.866 6.331 1.00 0.00 C ATOM 1006 CE2 PHE A 85 1.981 11.422 7.953 1.00 0.00 C ATOM 1007 CZ PHE A 85 3.288 11.489 7.510 1.00 0.00 C ATOM 0 H PHE A 85 -1.028 7.141 4.568 1.00 0.00 H new ATOM 0 HA PHE A 85 1.641 8.246 3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.002 9.992 4.430 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.501 9.147 5.882 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.987 9.692 4.677 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.020 10.679 7.580 1.00 0.00 H new ATOM 0 HE1 PHE A 85 4.669 10.917 5.983 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.698 11.911 8.873 1.00 0.00 H new ATOM 0 HZ PHE A 85 4.027 12.028 8.085 1.00 0.00 H new ATOM 1017 N LEU A 86 2.795 7.078 5.761 1.00 0.00 N ATOM 1018 CA LEU A 86 3.501 6.289 6.772 1.00 0.00 C ATOM 1019 C LEU A 86 4.289 7.197 7.709 1.00 0.00 C ATOM 1020 O LEU A 86 5.217 7.886 7.283 1.00 0.00 O ATOM 1021 CB LEU A 86 4.448 5.296 6.087 1.00 0.00 C ATOM 1022 CG LEU A 86 3.850 3.917 5.806 1.00 0.00 C ATOM 1023 CD1 LEU A 86 3.010 3.948 4.538 1.00 0.00 C ATOM 1024 CD2 LEU A 86 4.951 2.875 5.700 1.00 0.00 C ATOM 0 H LEU A 86 3.404 7.537 5.083 1.00 0.00 H new ATOM 0 HA LEU A 86 2.766 5.740 7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.783 5.729 5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.332 5.171 6.712 1.00 0.00 H new ATOM 0 HG LEU A 86 3.199 3.644 6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.593 2.958 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.200 4.667 4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.635 4.241 3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.510 1.899 5.500 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.627 3.141 4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.507 2.837 6.637 1.00 0.00 H new ATOM 1036 N PRO A 87 3.934 7.213 9.016 1.00 0.00 N ATOM 1037 CA PRO A 87 4.623 8.046 10.008 1.00 0.00 C ATOM 1038 C PRO A 87 6.120 7.763 10.060 1.00 0.00 C ATOM 1039 O PRO A 87 6.914 8.636 10.403 1.00 0.00 O ATOM 1040 CB PRO A 87 3.958 7.657 11.332 1.00 0.00 C ATOM 1041 CG PRO A 87 2.633 7.097 10.939 1.00 0.00 C ATOM 1042 CD PRO A 87 2.842 6.427 9.611 1.00 0.00 C ATOM 0 HA PRO A 87 4.541 9.107 9.774 1.00 0.00 H new ATOM 0 HB2 PRO A 87 4.554 6.922 11.874 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.844 8.521 11.987 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.275 6.385 11.683 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.883 7.885 10.865 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.115 5.378 9.726 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.942 6.457 8.997 1.00 0.00 H new ATOM 1050 N ALA A 88 6.498 6.538 9.702 1.00 0.00 N ATOM 1051 CA ALA A 88 7.900 6.140 9.709 1.00 0.00 C ATOM 1052 C ALA A 88 8.130 4.926 8.824 1.00 0.00 C ATOM 1053 O ALA A 88 7.725 3.812 9.149 1.00 0.00 O ATOM 1054 CB ALA A 88 8.359 5.848 11.129 1.00 0.00 C ATOM 0 H ALA A 88 5.853 5.806 9.404 1.00 0.00 H new ATOM 0 HA ALA A 88 8.486 6.967 9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.408 5.552 11.119 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.240 6.742 11.741 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.758 5.040 11.547 1.00 0.00 H new ATOM 1060 N VAL A 89 8.784 5.147 7.688 1.00 0.00 N ATOM 1061 CA VAL A 89 9.068 4.069 6.748 1.00 0.00 C ATOM 1062 C VAL A 89 10.464 3.501 6.966 1.00 0.00 C ATOM 1063 O VAL A 89 11.466 4.180 6.752 1.00 0.00 O ATOM 1064 CB VAL A 89 8.952 4.554 5.282 1.00 0.00 C ATOM 1065 CG1 VAL A 89 9.065 3.382 4.318 1.00 0.00 C ATOM 1066 CG2 VAL A 89 7.645 5.306 5.071 1.00 0.00 C ATOM 0 H VAL A 89 9.127 6.062 7.396 1.00 0.00 H new ATOM 0 HA VAL A 89 8.327 3.291 6.930 1.00 0.00 H new ATOM 0 HB VAL A 89 9.776 5.239 5.079 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.981 3.744 3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.030 2.893 4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.265 2.669 4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.580 5.640 4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.806 4.647 5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.612 6.171 5.733 1.00 0.00 H new ATOM 1076 N GLY A 90 10.523 2.249 7.420 1.00 0.00 N ATOM 1077 CA GLY A 90 11.802 1.611 7.672 1.00 0.00 C ATOM 1078 C GLY A 90 11.981 0.331 6.871 1.00 0.00 C ATOM 1079 O GLY A 90 11.337 0.136 5.848 1.00 0.00 O ATOM 0 H GLY A 90 9.708 1.668 7.617 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.606 2.305 7.426 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.889 1.386 8.735 1.00 0.00 H new ATOM 1083 N ILE A 91 12.860 -0.542 7.360 1.00 0.00 N ATOM 1084 CA ILE A 91 13.126 -1.810 6.682 1.00 0.00 C ATOM 1085 C ILE A 91 11.874 -2.678 6.623 1.00 0.00 C ATOM 1086 O ILE A 91 11.658 -3.409 5.657 1.00 0.00 O ATOM 1087 CB ILE A 91 14.248 -2.596 7.396 1.00 0.00 C ATOM 1088 CG1 ILE A 91 13.945 -2.735 8.882 1.00 0.00 C ATOM 1089 CG2 ILE A 91 15.593 -1.912 7.173 1.00 0.00 C ATOM 1090 CD1 ILE A 91 13.554 -4.140 9.290 1.00 0.00 C ATOM 0 H ILE A 91 13.396 -0.397 8.216 1.00 0.00 H new ATOM 0 HA ILE A 91 13.443 -1.569 5.667 1.00 0.00 H new ATOM 0 HB ILE A 91 14.298 -3.598 6.971 1.00 0.00 H new ATOM 0 HG12 ILE A 91 14.822 -2.430 9.454 1.00 0.00 H new ATOM 0 HG13 ILE A 91 13.139 -2.051 9.146 1.00 0.00 H new ATOM 0 HG21 ILE A 91 16.376 -2.475 7.681 1.00 0.00 H new ATOM 0 HG22 ILE A 91 15.809 -1.873 6.105 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.557 -0.899 7.573 1.00 0.00 H new ATOM 0 HD11 ILE A 91 13.353 -4.165 10.361 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.659 -4.441 8.745 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.368 -4.826 9.058 1.00 0.00 H new ATOM 1102 N GLN A 92 11.052 -2.593 7.672 1.00 0.00 N ATOM 1103 CA GLN A 92 9.821 -3.373 7.731 1.00 0.00 C ATOM 1104 C GLN A 92 8.878 -3.012 6.586 1.00 0.00 C ATOM 1105 O GLN A 92 8.005 -3.798 6.218 1.00 0.00 O ATOM 1106 CB GLN A 92 9.123 -3.147 9.073 1.00 0.00 C ATOM 1107 CG GLN A 92 9.912 -3.664 10.265 1.00 0.00 C ATOM 1108 CD GLN A 92 9.855 -2.726 11.455 1.00 0.00 C ATOM 1109 OE1 GLN A 92 9.582 -1.535 11.309 1.00 0.00 O ATOM 1110 NE2 GLN A 92 10.115 -3.261 12.643 1.00 0.00 N ATOM 0 H GLN A 92 11.217 -1.997 8.483 1.00 0.00 H new ATOM 0 HA GLN A 92 10.085 -4.426 7.631 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.942 -2.080 9.203 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.149 -3.636 9.053 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.523 -4.639 10.557 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.952 -3.810 9.972 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.337 -4.254 12.718 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.093 -2.679 13.480 1.00 0.00 H new ATOM 1119 N ASP A 93 9.053 -1.817 6.030 1.00 0.00 N ATOM 1120 CA ASP A 93 8.214 -1.354 4.930 1.00 0.00 C ATOM 1121 C ASP A 93 8.796 -1.754 3.575 1.00 0.00 C ATOM 1122 O ASP A 93 8.093 -1.745 2.572 1.00 0.00 O ATOM 1123 CB ASP A 93 8.045 0.164 5.004 1.00 0.00 C ATOM 1124 CG ASP A 93 7.077 0.590 6.082 1.00 0.00 C ATOM 1125 OD1 ASP A 93 5.869 0.309 5.943 1.00 0.00 O ATOM 1126 OD2 ASP A 93 7.528 1.205 7.080 1.00 0.00 O ATOM 0 H ASP A 93 9.768 -1.152 6.323 1.00 0.00 H new ATOM 0 HA ASP A 93 7.239 -1.831 5.027 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.015 0.625 5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.695 0.534 4.040 1.00 0.00 H new ATOM 1131 N GLU A 94 10.081 -2.103 3.557 1.00 0.00 N ATOM 1132 CA GLU A 94 10.748 -2.502 2.319 1.00 0.00 C ATOM 1133 C GLU A 94 9.955 -3.584 1.590 1.00 0.00 C ATOM 1134 O GLU A 94 8.918 -4.040 2.071 1.00 0.00 O ATOM 1135 CB GLU A 94 12.160 -3.008 2.624 1.00 0.00 C ATOM 1136 CG GLU A 94 13.114 -1.919 3.078 1.00 0.00 C ATOM 1137 CD GLU A 94 14.437 -2.477 3.567 1.00 0.00 C ATOM 1138 OE1 GLU A 94 14.429 -3.254 4.552 1.00 0.00 O ATOM 1139 OE2 GLU A 94 15.482 -2.136 2.980 1.00 0.00 O ATOM 0 H GLU A 94 10.680 -2.118 4.383 1.00 0.00 H new ATOM 0 HA GLU A 94 10.809 -1.628 1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.103 -3.774 3.397 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.566 -3.485 1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.296 -1.231 2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.649 -1.342 3.877 1.00 0.00 H new ATOM 1146 N GLY A 95 10.451 -3.988 0.425 1.00 0.00 N ATOM 1147 CA GLY A 95 9.778 -5.011 -0.338 1.00 0.00 C ATOM 1148 C GLY A 95 9.001 -4.436 -1.505 1.00 0.00 C ATOM 1149 O GLY A 95 9.339 -3.370 -2.019 1.00 0.00 O ATOM 0 H GLY A 95 11.304 -3.624 0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.511 -5.727 -0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.098 -5.560 0.314 1.00 0.00 H new ATOM 1153 N ILE A 96 7.957 -5.144 -1.926 1.00 0.00 N ATOM 1154 CA ILE A 96 7.129 -4.696 -3.048 1.00 0.00 C ATOM 1155 C ILE A 96 5.673 -4.544 -2.624 1.00 0.00 C ATOM 1156 O ILE A 96 5.126 -5.403 -1.932 1.00 0.00 O ATOM 1157 CB ILE A 96 7.206 -5.675 -4.236 1.00 0.00 C ATOM 1158 CG1 ILE A 96 8.664 -6.021 -4.552 1.00 0.00 C ATOM 1159 CG2 ILE A 96 6.518 -5.083 -5.456 1.00 0.00 C ATOM 1160 CD1 ILE A 96 9.062 -7.414 -4.116 1.00 0.00 C ATOM 0 H ILE A 96 7.663 -6.028 -1.511 1.00 0.00 H new ATOM 0 HA ILE A 96 7.520 -3.728 -3.363 1.00 0.00 H new ATOM 0 HB ILE A 96 6.688 -6.594 -3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.828 -5.924 -5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.315 -5.296 -4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.581 -5.786 -6.286 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.471 -4.888 -5.224 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.008 -4.150 -5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.107 -7.591 -4.371 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.931 -7.509 -3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.436 -8.147 -4.624 1.00 0.00 H new ATOM 1172 N PHE A 97 5.051 -3.448 -3.035 1.00 0.00 N ATOM 1173 CA PHE A 97 3.656 -3.184 -2.704 1.00 0.00 C ATOM 1174 C PHE A 97 2.753 -3.389 -3.916 1.00 0.00 C ATOM 1175 O PHE A 97 3.217 -3.387 -5.056 1.00 0.00 O ATOM 1176 CB PHE A 97 3.499 -1.757 -2.167 1.00 0.00 C ATOM 1177 CG PHE A 97 4.201 -1.520 -0.868 1.00 0.00 C ATOM 1178 CD1 PHE A 97 3.622 -1.914 0.328 1.00 0.00 C ATOM 1179 CD2 PHE A 97 5.443 -0.904 -0.827 1.00 0.00 C ATOM 1180 CE1 PHE A 97 4.265 -1.697 1.523 1.00 0.00 C ATOM 1181 CE2 PHE A 97 6.092 -0.685 0.357 1.00 0.00 C ATOM 1182 CZ PHE A 97 5.502 -1.082 1.541 1.00 0.00 C ATOM 0 H PHE A 97 5.492 -2.723 -3.601 1.00 0.00 H new ATOM 0 HA PHE A 97 3.354 -3.892 -1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.881 -1.056 -2.909 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.438 -1.541 -2.041 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.656 -2.396 0.321 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.908 -0.590 -1.750 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.803 -2.007 2.449 1.00 0.00 H new ATOM 0 HE2 PHE A 97 7.059 -0.205 0.366 1.00 0.00 H new ATOM 0 HZ PHE A 97 6.007 -0.912 2.480 1.00 0.00 H new ATOM 1192 N ARG A 98 1.461 -3.565 -3.660 1.00 0.00 N ATOM 1193 CA ARG A 98 0.490 -3.770 -4.721 1.00 0.00 C ATOM 1194 C ARG A 98 -0.883 -3.241 -4.318 1.00 0.00 C ATOM 1195 O ARG A 98 -1.309 -3.400 -3.173 1.00 0.00 O ATOM 1196 CB ARG A 98 0.395 -5.257 -5.074 1.00 0.00 C ATOM 1197 CG ARG A 98 -0.600 -5.557 -6.186 1.00 0.00 C ATOM 1198 CD ARG A 98 -1.752 -6.416 -5.690 1.00 0.00 C ATOM 1199 NE ARG A 98 -1.621 -7.807 -6.124 1.00 0.00 N ATOM 1200 CZ ARG A 98 -1.935 -8.243 -7.335 1.00 0.00 C ATOM 1201 NH1 ARG A 98 -2.399 -7.399 -8.249 1.00 0.00 N ATOM 1202 NH2 ARG A 98 -1.785 -9.524 -7.639 1.00 0.00 N ATOM 0 H ARG A 98 1.064 -3.569 -2.721 1.00 0.00 H new ATOM 0 HA ARG A 98 0.827 -3.216 -5.597 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.380 -5.614 -5.373 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.110 -5.816 -4.183 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -0.990 -4.622 -6.588 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.090 -6.068 -7.003 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.791 -6.377 -4.601 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.694 -6.008 -6.058 1.00 0.00 H new ATOM 0 HE ARG A 98 -1.265 -8.485 -5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.515 -6.412 -8.020 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.640 -7.738 -9.180 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.427 -10.175 -6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.027 -9.859 -8.572 1.00 0.00 H new ATOM 1216 N CYS A 99 -1.570 -2.612 -5.265 1.00 0.00 N ATOM 1217 CA CYS A 99 -2.896 -2.060 -5.016 1.00 0.00 C ATOM 1218 C CYS A 99 -3.981 -2.953 -5.602 1.00 0.00 C ATOM 1219 O CYS A 99 -3.741 -3.683 -6.572 1.00 0.00 O ATOM 1220 CB CYS A 99 -3.003 -0.646 -5.590 1.00 0.00 C ATOM 1221 SG CYS A 99 -3.571 0.607 -4.395 1.00 0.00 S ATOM 0 H CYS A 99 -1.229 -2.471 -6.216 1.00 0.00 H new ATOM 0 HA CYS A 99 -3.043 -2.013 -3.937 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -2.028 -0.348 -5.975 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -3.689 -0.661 -6.437 1.00 0.00 H new ATOM 1226 N GLN A 100 -5.175 -2.891 -5.022 1.00 0.00 N ATOM 1227 CA GLN A 100 -6.296 -3.697 -5.493 1.00 0.00 C ATOM 1228 C GLN A 100 -7.627 -3.084 -5.076 1.00 0.00 C ATOM 1229 O GLN A 100 -7.902 -2.939 -3.877 1.00 0.00 O ATOM 1230 CB GLN A 100 -6.186 -5.124 -4.964 1.00 0.00 C ATOM 1231 CG GLN A 100 -6.801 -6.168 -5.874 1.00 0.00 C ATOM 1232 CD GLN A 100 -7.216 -7.424 -5.140 1.00 0.00 C ATOM 1233 OE1 GLN A 100 -8.323 -7.930 -5.317 1.00 0.00 O ATOM 1234 NE2 GLN A 100 -6.328 -7.933 -4.286 1.00 0.00 N ATOM 0 H GLN A 100 -5.391 -2.292 -4.226 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.258 -3.720 -6.582 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.134 -5.364 -4.812 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.669 -5.177 -3.988 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.672 -5.740 -6.371 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.085 -6.429 -6.653 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.420 -7.484 -4.167 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.557 -8.771 -3.752 1.00 0.00 H new ATOM 1243 N ALA A 101 -8.448 -2.729 -6.049 1.00 0.00 N ATOM 1244 CA ALA A 101 -9.753 -2.137 -5.779 1.00 0.00 C ATOM 1245 C ALA A 101 -10.873 -3.108 -6.129 1.00 0.00 C ATOM 1246 O ALA A 101 -11.050 -3.472 -7.291 1.00 0.00 O ATOM 1247 CB ALA A 101 -9.914 -0.838 -6.555 1.00 0.00 C ATOM 0 H ALA A 101 -8.235 -2.840 -7.040 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.815 -1.918 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -10.893 -0.407 -6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.136 -0.136 -6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -9.829 -1.039 -7.623 1.00 0.00 H new ATOM 1253 N MET A 102 -11.626 -3.529 -5.117 1.00 0.00 N ATOM 1254 CA MET A 102 -12.726 -4.464 -5.321 1.00 0.00 C ATOM 1255 C MET A 102 -13.979 -3.742 -5.805 1.00 0.00 C ATOM 1256 O MET A 102 -14.484 -2.839 -5.139 1.00 0.00 O ATOM 1257 CB MET A 102 -13.027 -5.218 -4.025 1.00 0.00 C ATOM 1258 CG MET A 102 -13.807 -6.505 -4.238 1.00 0.00 C ATOM 1259 SD MET A 102 -12.755 -7.877 -4.747 1.00 0.00 S ATOM 1260 CE MET A 102 -13.256 -9.140 -3.581 1.00 0.00 C ATOM 0 H MET A 102 -11.494 -3.237 -4.149 1.00 0.00 H new ATOM 0 HA MET A 102 -12.423 -5.176 -6.089 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.088 -5.451 -3.523 1.00 0.00 H new ATOM 0 HB3 MET A 102 -13.592 -4.567 -3.358 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.322 -6.770 -3.315 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.574 -6.340 -4.995 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.691 -10.053 -3.769 1.00 0.00 H new ATOM 0 HE2 MET A 102 -13.061 -8.795 -2.565 1.00 0.00 H new ATOM 0 HE3 MET A 102 -14.321 -9.341 -3.698 1.00 0.00 H new ATOM 1270 N ASN A 103 -14.475 -4.150 -6.976 1.00 0.00 N ATOM 1271 CA ASN A 103 -15.672 -3.546 -7.542 1.00 0.00 C ATOM 1272 C ASN A 103 -16.921 -4.316 -7.126 1.00 0.00 C ATOM 1273 O ASN A 103 -16.856 -5.222 -6.304 1.00 0.00 O ATOM 1274 CB ASN A 103 -15.565 -3.504 -9.069 1.00 0.00 C ATOM 1275 CG ASN A 103 -15.204 -2.125 -9.592 1.00 0.00 C ATOM 1276 OD1 ASN A 103 -15.849 -1.600 -10.491 1.00 0.00 O ATOM 1277 ND2 ASN A 103 -14.166 -1.531 -9.007 1.00 0.00 N ATOM 0 H ASN A 103 -14.065 -4.892 -7.544 1.00 0.00 H new ATOM 0 HA ASN A 103 -15.756 -2.529 -7.160 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -14.812 -4.221 -9.396 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -16.514 -3.817 -9.505 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -13.878 -0.599 -9.304 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -13.659 -2.008 -8.262 1.00 0.00 H new ATOM 1284 N ARG A 104 -18.059 -3.950 -7.716 1.00 0.00 N ATOM 1285 CA ARG A 104 -19.323 -4.608 -7.395 1.00 0.00 C ATOM 1286 C ARG A 104 -19.280 -6.084 -7.778 1.00 0.00 C ATOM 1287 O ARG A 104 -19.934 -6.917 -7.151 1.00 0.00 O ATOM 1288 CB ARG A 104 -20.476 -3.912 -8.122 1.00 0.00 C ATOM 1289 CG ARG A 104 -21.240 -2.929 -7.250 1.00 0.00 C ATOM 1290 CD ARG A 104 -22.491 -2.422 -7.947 1.00 0.00 C ATOM 1291 NE ARG A 104 -22.263 -1.145 -8.621 1.00 0.00 N ATOM 1292 CZ ARG A 104 -23.239 -0.320 -8.993 1.00 0.00 C ATOM 1293 NH1 ARG A 104 -24.508 -0.633 -8.762 1.00 0.00 N ATOM 1294 NH2 ARG A 104 -22.945 0.822 -9.608 1.00 0.00 N ATOM 0 H ARG A 104 -18.131 -3.208 -8.412 1.00 0.00 H new ATOM 0 HA ARG A 104 -19.482 -4.537 -6.319 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -20.081 -3.384 -8.990 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -21.168 -4.667 -8.496 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -21.515 -3.411 -6.312 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -20.595 -2.087 -6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -22.825 -3.161 -8.675 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -23.292 -2.309 -7.217 1.00 0.00 H new ATOM 0 HE ARG A 104 -21.301 -0.870 -8.818 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -24.740 -1.510 -8.297 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -25.251 0.004 -9.050 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -21.972 1.065 -9.794 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -23.692 1.455 -9.893 1.00 0.00 H new ATOM 1308 N ASN A 105 -18.505 -6.402 -8.811 1.00 0.00 N ATOM 1309 CA ASN A 105 -18.379 -7.778 -9.284 1.00 0.00 C ATOM 1310 C ASN A 105 -17.174 -8.467 -8.641 1.00 0.00 C ATOM 1311 O ASN A 105 -17.117 -9.694 -8.569 1.00 0.00 O ATOM 1312 CB ASN A 105 -18.255 -7.812 -10.801 1.00 0.00 C ATOM 1313 CG ASN A 105 -19.588 -7.611 -11.495 1.00 0.00 C ATOM 1314 OD1 ASN A 105 -20.646 -7.842 -10.910 1.00 0.00 O ATOM 1315 ND2 ASN A 105 -19.543 -7.179 -12.749 1.00 0.00 N ATOM 0 H ASN A 105 -17.954 -5.724 -9.338 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.280 -8.318 -8.994 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.560 -7.037 -11.123 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -17.830 -8.768 -11.107 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -20.408 -7.026 -13.267 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -18.643 -7.000 -13.195 1.00 0.00 H new ATOM 1322 N GLY A 106 -16.211 -7.671 -8.182 1.00 0.00 N ATOM 1323 CA GLY A 106 -15.024 -8.229 -7.561 1.00 0.00 C ATOM 1324 C GLY A 106 -13.802 -8.120 -8.451 1.00 0.00 C ATOM 1325 O GLY A 106 -13.041 -9.077 -8.600 1.00 0.00 O ATOM 0 H GLY A 106 -16.232 -6.652 -8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.832 -7.713 -6.620 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.202 -9.277 -7.319 1.00 0.00 H new ATOM 1329 N LYS A 107 -13.614 -6.950 -9.060 1.00 0.00 N ATOM 1330 CA LYS A 107 -12.477 -6.718 -9.944 1.00 0.00 C ATOM 1331 C LYS A 107 -11.247 -6.292 -9.139 1.00 0.00 C ATOM 1332 O LYS A 107 -11.361 -5.795 -8.019 1.00 0.00 O ATOM 1333 CB LYS A 107 -12.824 -5.648 -10.975 1.00 0.00 C ATOM 1334 CG LYS A 107 -11.671 -5.300 -11.901 1.00 0.00 C ATOM 1335 CD LYS A 107 -12.067 -4.231 -12.907 1.00 0.00 C ATOM 1336 CE LYS A 107 -10.858 -3.444 -13.387 1.00 0.00 C ATOM 1337 NZ LYS A 107 -11.145 -2.695 -14.642 1.00 0.00 N ATOM 0 H LYS A 107 -14.236 -6.148 -8.956 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.246 -7.649 -10.462 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -13.668 -5.991 -11.573 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -13.147 -4.746 -10.456 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -10.823 -4.951 -11.312 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.345 -6.196 -12.430 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -12.561 -4.697 -13.759 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.788 -3.551 -12.453 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.548 -2.745 -12.610 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.024 -4.126 -13.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.296 -2.172 -14.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.416 -3.364 -15.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.924 -2.026 -14.477 1.00 0.00 H new ATOM 1351 N GLU A 108 -10.072 -6.488 -9.736 1.00 0.00 N ATOM 1352 CA GLU A 108 -8.818 -6.122 -9.079 1.00 0.00 C ATOM 1353 C GLU A 108 -7.955 -5.272 -10.007 1.00 0.00 C ATOM 1354 O GLU A 108 -8.003 -5.426 -11.227 1.00 0.00 O ATOM 1355 CB GLU A 108 -8.052 -7.378 -8.659 1.00 0.00 C ATOM 1356 CG GLU A 108 -7.920 -8.409 -9.767 1.00 0.00 C ATOM 1357 CD GLU A 108 -7.263 -9.691 -9.295 1.00 0.00 C ATOM 1358 OE1 GLU A 108 -7.440 -10.048 -8.111 1.00 0.00 O ATOM 1359 OE2 GLU A 108 -6.569 -10.338 -10.116 1.00 0.00 O ATOM 0 H GLU A 108 -9.962 -6.894 -10.665 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.055 -5.538 -8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -7.056 -7.090 -8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.558 -7.834 -7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -8.909 -8.637 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.336 -7.986 -10.585 1.00 0.00 H new ATOM 1366 N THR A 109 -7.167 -4.376 -9.422 1.00 0.00 N ATOM 1367 CA THR A 109 -6.294 -3.506 -10.203 1.00 0.00 C ATOM 1368 C THR A 109 -4.857 -4.020 -10.189 1.00 0.00 C ATOM 1369 O THR A 109 -4.355 -4.462 -9.155 1.00 0.00 O ATOM 1370 CB THR A 109 -6.347 -2.073 -9.666 1.00 0.00 C ATOM 1371 OG1 THR A 109 -5.609 -1.199 -10.501 1.00 0.00 O ATOM 1372 CG2 THR A 109 -5.799 -1.935 -8.261 1.00 0.00 C ATOM 0 H THR A 109 -7.115 -4.233 -8.413 1.00 0.00 H new ATOM 0 HA THR A 109 -6.649 -3.509 -11.233 1.00 0.00 H new ATOM 0 HB THR A 109 -7.405 -1.811 -9.652 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.656 -0.288 -10.143 1.00 0.00 H new ATOM 0 HG21 THR A 109 -5.867 -0.894 -7.944 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.378 -2.560 -7.581 1.00 0.00 H new ATOM 0 HG23 THR A 109 -4.756 -2.251 -8.245 1.00 0.00 H new ATOM 1380 N LYS A 110 -4.202 -3.961 -11.343 1.00 0.00 N ATOM 1381 CA LYS A 110 -2.823 -4.421 -11.462 1.00 0.00 C ATOM 1382 C LYS A 110 -1.846 -3.282 -11.196 1.00 0.00 C ATOM 1383 O LYS A 110 -1.708 -2.362 -11.993 1.00 0.00 O ATOM 1384 CB LYS A 110 -2.576 -5.002 -12.857 1.00 0.00 C ATOM 1385 CG LYS A 110 -2.477 -6.519 -12.874 1.00 0.00 C ATOM 1386 CD LYS A 110 -1.053 -6.984 -13.137 1.00 0.00 C ATOM 1387 CE LYS A 110 -0.828 -8.402 -12.639 1.00 0.00 C ATOM 1388 NZ LYS A 110 -0.779 -9.382 -13.759 1.00 0.00 N ATOM 0 H LYS A 110 -4.603 -3.600 -12.209 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.660 -5.199 -10.716 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.384 -4.691 -13.519 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.654 -4.581 -13.259 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.820 -6.917 -11.919 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.139 -6.919 -13.642 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.845 -6.936 -14.206 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.352 -6.309 -12.645 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.105 -8.446 -12.077 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.628 -8.676 -11.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.624 -10.337 -13.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.679 -9.359 -14.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.000 -9.135 -14.402 1.00 0.00 H new ATOM 1402 N SER A 111 -1.169 -3.353 -10.046 1.00 0.00 N ATOM 1403 CA SER A 111 -0.204 -2.329 -9.666 1.00 0.00 C ATOM 1404 C SER A 111 0.876 -2.908 -8.758 1.00 0.00 C ATOM 1405 O SER A 111 0.580 -3.640 -7.814 1.00 0.00 O ATOM 1406 CB SER A 111 -0.911 -1.169 -8.968 1.00 0.00 C ATOM 1407 OG SER A 111 -1.987 -0.677 -9.739 1.00 0.00 O ATOM 0 H SER A 111 -1.274 -4.107 -9.368 1.00 0.00 H new ATOM 0 HA SER A 111 0.274 -1.959 -10.573 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.279 -1.498 -7.996 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.198 -0.366 -8.783 1.00 0.00 H new ATOM 0 HG SER A 111 -2.419 0.063 -9.263 1.00 0.00 H new ATOM 1413 N ASN A 112 2.129 -2.576 -9.051 1.00 0.00 N ATOM 1414 CA ASN A 112 3.253 -3.063 -8.261 1.00 0.00 C ATOM 1415 C ASN A 112 4.352 -2.008 -8.171 1.00 0.00 C ATOM 1416 O ASN A 112 4.827 -1.504 -9.196 1.00 0.00 O ATOM 1417 CB ASN A 112 3.810 -4.353 -8.880 1.00 0.00 C ATOM 1418 CG ASN A 112 3.501 -5.573 -8.027 1.00 0.00 C ATOM 1419 OD1 ASN A 112 3.811 -5.612 -6.837 1.00 0.00 O ATOM 1420 ND2 ASN A 112 2.888 -6.579 -8.641 1.00 0.00 N ATOM 0 H ASN A 112 2.391 -1.972 -9.830 1.00 0.00 H new ATOM 0 HA ASN A 112 2.898 -3.274 -7.252 1.00 0.00 H new ATOM 0 HB2 ASN A 112 3.387 -4.490 -9.875 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.889 -4.260 -9.002 1.00 0.00 H new ATOM 0 HD21 ASN A 112 2.656 -7.427 -8.124 1.00 0.00 H new ATOM 0 HD22 ASN A 112 2.649 -6.504 -9.630 1.00 0.00 H new ATOM 1427 N TYR A 113 4.747 -1.676 -6.946 1.00 0.00 N ATOM 1428 CA TYR A 113 5.789 -0.679 -6.723 1.00 0.00 C ATOM 1429 C TYR A 113 6.851 -1.204 -5.763 1.00 0.00 C ATOM 1430 O TYR A 113 6.536 -1.686 -4.675 1.00 0.00 O ATOM 1431 CB TYR A 113 5.180 0.611 -6.170 1.00 0.00 C ATOM 1432 CG TYR A 113 4.292 1.334 -7.159 1.00 0.00 C ATOM 1433 CD1 TYR A 113 3.137 0.737 -7.647 1.00 0.00 C ATOM 1434 CD2 TYR A 113 4.608 2.612 -7.602 1.00 0.00 C ATOM 1435 CE1 TYR A 113 2.322 1.393 -8.550 1.00 0.00 C ATOM 1436 CE2 TYR A 113 3.798 3.275 -8.505 1.00 0.00 C ATOM 1437 CZ TYR A 113 2.656 2.660 -8.975 1.00 0.00 C ATOM 1438 OH TYR A 113 1.848 3.317 -9.875 1.00 0.00 O ATOM 0 H TYR A 113 4.362 -2.082 -6.093 1.00 0.00 H new ATOM 0 HA TYR A 113 6.264 -0.468 -7.681 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.600 0.376 -5.278 1.00 0.00 H new ATOM 0 HB3 TYR A 113 5.984 1.279 -5.860 1.00 0.00 H new ATOM 0 HD1 TYR A 113 2.871 -0.256 -7.315 1.00 0.00 H new ATOM 0 HD2 TYR A 113 5.501 3.096 -7.235 1.00 0.00 H new ATOM 0 HE1 TYR A 113 1.428 0.915 -8.921 1.00 0.00 H new ATOM 0 HE2 TYR A 113 4.058 4.268 -8.840 1.00 0.00 H new ATOM 0 HH TYR A 113 2.226 4.200 -10.070 1.00 0.00 H new ATOM 1448 N ARG A 114 8.112 -1.103 -6.171 1.00 0.00 N ATOM 1449 CA ARG A 114 9.223 -1.565 -5.346 1.00 0.00 C ATOM 1450 C ARG A 114 9.742 -0.436 -4.468 1.00 0.00 C ATOM 1451 O ARG A 114 9.948 0.685 -4.925 1.00 0.00 O ATOM 1452 CB ARG A 114 10.353 -2.100 -6.236 1.00 0.00 C ATOM 1453 CG ARG A 114 10.982 -3.380 -5.702 1.00 0.00 C ATOM 1454 CD ARG A 114 12.196 -3.087 -4.844 1.00 0.00 C ATOM 1455 NE ARG A 114 12.772 -4.305 -4.269 1.00 0.00 N ATOM 1456 CZ ARG A 114 13.444 -5.208 -4.979 1.00 0.00 C ATOM 1457 NH1 ARG A 114 13.628 -5.035 -6.282 1.00 0.00 N ATOM 1458 NH2 ARG A 114 13.936 -6.286 -4.392 1.00 0.00 N ATOM 0 H ARG A 114 8.390 -0.705 -7.068 1.00 0.00 H new ATOM 0 HA ARG A 114 8.865 -2.369 -4.703 1.00 0.00 H new ATOM 0 HB2 ARG A 114 9.962 -2.285 -7.237 1.00 0.00 H new ATOM 0 HB3 ARG A 114 11.125 -1.336 -6.331 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.246 -3.931 -5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 114 11.270 -4.020 -6.536 1.00 0.00 H new ATOM 0 HD2 ARG A 114 12.950 -2.579 -5.445 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.916 -2.405 -4.041 1.00 0.00 H new ATOM 0 HE ARG A 114 12.651 -4.470 -3.270 1.00 0.00 H new ATOM 0 HH11 ARG A 114 13.254 -4.207 -6.744 1.00 0.00 H new ATOM 0 HH12 ARG A 114 14.144 -5.731 -6.821 1.00 0.00 H new ATOM 0 HH21 ARG A 114 13.801 -6.428 -3.391 1.00 0.00 H new ATOM 0 HH22 ARG A 114 14.450 -6.975 -4.940 1.00 0.00 H new ATOM 1472 N VAL A 115 9.949 -0.738 -3.183 1.00 0.00 N ATOM 1473 CA VAL A 115 10.439 0.256 -2.235 1.00 0.00 C ATOM 1474 C VAL A 115 11.604 -0.289 -1.414 1.00 0.00 C ATOM 1475 O VAL A 115 11.486 -1.325 -0.761 1.00 0.00 O ATOM 1476 CB VAL A 115 9.324 0.714 -1.278 1.00 0.00 C ATOM 1477 CG1 VAL A 115 9.798 1.878 -0.428 1.00 0.00 C ATOM 1478 CG2 VAL A 115 8.073 1.091 -2.057 1.00 0.00 C ATOM 0 H VAL A 115 9.784 -1.661 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 115 10.781 1.109 -2.822 1.00 0.00 H new ATOM 0 HB VAL A 115 9.076 -0.115 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 115 8.997 2.189 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.664 1.571 0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.074 2.711 -1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.296 1.412 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.304 1.904 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.722 0.227 -2.621 1.00 0.00 H new ATOM 1488 N ARG A 116 12.726 0.422 -1.447 1.00 0.00 N ATOM 1489 CA ARG A 116 13.913 0.017 -0.701 1.00 0.00 C ATOM 1490 C ARG A 116 14.412 1.159 0.163 1.00 0.00 C ATOM 1491 O ARG A 116 14.295 2.329 -0.186 1.00 0.00 O ATOM 1492 CB ARG A 116 15.020 -0.429 -1.668 1.00 0.00 C ATOM 1493 CG ARG A 116 16.160 -1.163 -0.980 1.00 0.00 C ATOM 1494 CD ARG A 116 15.683 -2.453 -0.322 1.00 0.00 C ATOM 1495 NE ARG A 116 16.293 -3.632 -0.940 1.00 0.00 N ATOM 1496 CZ ARG A 116 17.520 -4.064 -0.647 1.00 0.00 C ATOM 1497 NH1 ARG A 116 18.271 -3.416 0.219 1.00 0.00 N ATOM 1498 NH2 ARG A 116 17.997 -5.146 -1.246 1.00 0.00 N ATOM 0 H ARG A 116 12.839 1.283 -1.983 1.00 0.00 H new ATOM 0 HA ARG A 116 13.646 -0.820 -0.056 1.00 0.00 H new ATOM 0 HB2 ARG A 116 14.588 -1.077 -2.430 1.00 0.00 H new ATOM 0 HB3 ARG A 116 15.418 0.446 -2.182 1.00 0.00 H new ATOM 0 HG2 ARG A 116 16.938 -1.392 -1.708 1.00 0.00 H new ATOM 0 HG3 ARG A 116 16.609 -0.515 -0.227 1.00 0.00 H new ATOM 0 HD2 ARG A 116 15.926 -2.432 0.740 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.598 -2.522 -0.399 1.00 0.00 H new ATOM 0 HE ARG A 116 15.751 -4.150 -1.631 1.00 0.00 H new ATOM 0 HH11 ARG A 116 17.916 -2.575 0.673 1.00 0.00 H new ATOM 0 HH12 ARG A 116 19.208 -3.755 0.436 1.00 0.00 H new ATOM 0 HH21 ARG A 116 17.426 -5.645 -1.928 1.00 0.00 H new ATOM 0 HH22 ARG A 116 18.935 -5.480 -1.025 1.00 0.00 H new ATOM 1512 N VAL A 117 14.964 0.815 1.323 1.00 0.00 N ATOM 1513 CA VAL A 117 15.473 1.820 2.249 1.00 0.00 C ATOM 1514 C VAL A 117 16.972 2.042 2.068 1.00 0.00 C ATOM 1515 O VAL A 117 17.680 1.176 1.546 1.00 0.00 O ATOM 1516 CB VAL A 117 15.193 1.434 3.724 1.00 0.00 C ATOM 1517 CG1 VAL A 117 13.720 1.103 3.907 1.00 0.00 C ATOM 1518 CG2 VAL A 117 16.071 0.268 4.153 1.00 0.00 C ATOM 0 H VAL A 117 15.070 -0.148 1.643 1.00 0.00 H new ATOM 0 HA VAL A 117 14.945 2.745 2.018 1.00 0.00 H new ATOM 0 HB VAL A 117 15.437 2.285 4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 117 13.534 0.833 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 117 13.116 1.972 3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 117 13.452 0.266 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 117 15.857 0.014 5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 117 15.866 -0.595 3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 117 17.120 0.548 4.056 1.00 0.00 H new ATOM 1528 N TYR A 118 17.446 3.211 2.479 1.00 0.00 N ATOM 1529 CA TYR A 118 18.858 3.556 2.357 1.00 0.00 C ATOM 1530 C TYR A 118 19.735 2.596 3.168 1.00 0.00 C ATOM 1531 O TYR A 118 20.322 1.667 2.605 1.00 0.00 O ATOM 1532 CB TYR A 118 19.091 4.994 2.825 1.00 0.00 C ATOM 1533 CG TYR A 118 19.132 5.998 1.697 1.00 0.00 C ATOM 1534 CD1 TYR A 118 18.090 6.088 0.792 1.00 0.00 C ATOM 1535 CD2 TYR A 118 20.213 6.859 1.545 1.00 0.00 C ATOM 1536 CE1 TYR A 118 18.122 7.005 -0.240 1.00 0.00 C ATOM 1537 CE2 TYR A 118 20.252 7.778 0.514 1.00 0.00 C ATOM 1538 CZ TYR A 118 19.204 7.848 -0.372 1.00 0.00 C ATOM 1539 OH TYR A 118 19.239 8.763 -1.391 1.00 0.00 O ATOM 0 H TYR A 118 16.871 3.940 2.902 1.00 0.00 H new ATOM 0 HA TYR A 118 19.136 3.468 1.307 1.00 0.00 H new ATOM 0 HB2 TYR A 118 18.300 5.274 3.520 1.00 0.00 H new ATOM 0 HB3 TYR A 118 20.030 5.040 3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 118 17.239 5.431 0.894 1.00 0.00 H new ATOM 0 HD2 TYR A 118 21.035 6.809 2.244 1.00 0.00 H new ATOM 0 HE1 TYR A 118 17.302 7.061 -0.941 1.00 0.00 H new ATOM 0 HE2 TYR A 118 21.101 8.437 0.405 1.00 0.00 H new ATOM 0 HH TYR A 118 20.071 9.279 -1.339 1.00 0.00 H new ATOM 1549 N GLN A 119 19.826 2.831 4.466 1.00 0.00 N ATOM 1550 CA GLN A 119 20.638 1.993 5.348 1.00 0.00 C ATOM 1551 C GLN A 119 19.859 0.767 5.809 1.00 0.00 C ATOM 1552 O GLN A 119 18.675 0.859 6.135 1.00 0.00 O ATOM 1553 CB GLN A 119 21.118 2.798 6.549 1.00 0.00 C ATOM 1554 CG GLN A 119 22.232 3.779 6.223 1.00 0.00 C ATOM 1555 CD GLN A 119 22.969 4.256 7.461 1.00 0.00 C ATOM 1556 OE1 GLN A 119 22.372 4.836 8.367 1.00 0.00 O ATOM 1557 NE2 GLN A 119 24.273 4.013 7.501 1.00 0.00 N ATOM 0 H GLN A 119 19.347 3.597 4.939 1.00 0.00 H new ATOM 0 HA GLN A 119 21.506 1.650 4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 119 20.274 3.347 6.968 1.00 0.00 H new ATOM 0 HB3 GLN A 119 21.466 2.111 7.320 1.00 0.00 H new ATOM 0 HG2 GLN A 119 22.940 3.306 5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 119 21.813 4.639 5.700 1.00 0.00 H new ATOM 0 HE21 GLN A 119 24.725 3.528 6.726 1.00 0.00 H new ATOM 0 HE22 GLN A 119 24.823 4.311 8.307 1.00 0.00 H new ATOM 1566 N ILE A 120 20.535 -0.377 5.843 1.00 0.00 N ATOM 1567 CA ILE A 120 19.911 -1.623 6.284 1.00 0.00 C ATOM 1568 C ILE A 120 20.582 -2.159 7.548 1.00 0.00 C ATOM 1569 O ILE A 120 21.809 -2.193 7.640 1.00 0.00 O ATOM 1570 CB ILE A 120 19.967 -2.708 5.177 1.00 0.00 C ATOM 1571 CG1 ILE A 120 21.134 -2.446 4.223 1.00 0.00 C ATOM 1572 CG2 ILE A 120 18.649 -2.756 4.415 1.00 0.00 C ATOM 1573 CD1 ILE A 120 21.231 -3.443 3.089 1.00 0.00 C ATOM 0 H ILE A 120 21.514 -0.469 5.571 1.00 0.00 H new ATOM 0 HA ILE A 120 18.868 -1.394 6.502 1.00 0.00 H new ATOM 0 HB ILE A 120 20.127 -3.677 5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 120 21.032 -1.444 3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 120 22.065 -2.462 4.790 1.00 0.00 H new ATOM 0 HG21 ILE A 120 18.704 -3.522 3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 120 17.839 -2.993 5.104 1.00 0.00 H new ATOM 0 HG23 ILE A 120 18.460 -1.787 3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 120 22.082 -3.192 2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 120 21.365 -4.445 3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 120 20.316 -3.411 2.497 1.00 0.00 H new ATOM 1585 N PRO A 121 19.785 -2.588 8.544 1.00 0.00 N ATOM 1586 CA PRO A 121 20.317 -3.123 9.794 1.00 0.00 C ATOM 1587 C PRO A 121 20.958 -4.495 9.617 1.00 0.00 C ATOM 1588 O PRO A 121 20.991 -4.988 8.469 1.00 0.00 O ATOM 1589 CB PRO A 121 19.080 -3.223 10.689 1.00 0.00 C ATOM 1590 CG PRO A 121 17.943 -3.381 9.741 1.00 0.00 C ATOM 1591 CD PRO A 121 18.310 -2.587 8.518 1.00 0.00 C ATOM 1592 OXT PRO A 121 21.422 -5.065 10.626 1.00 0.00 O ATOM 0 HA PRO A 121 21.108 -2.493 10.201 1.00 0.00 H new ATOM 0 HB2 PRO A 121 19.150 -4.072 11.369 1.00 0.00 H new ATOM 0 HB3 PRO A 121 18.962 -2.331 11.304 1.00 0.00 H new ATOM 0 HG2 PRO A 121 17.785 -4.430 9.492 1.00 0.00 H new ATOM 0 HG3 PRO A 121 17.015 -3.015 10.180 1.00 0.00 H new ATOM 0 HD2 PRO A 121 17.923 -3.047 7.609 1.00 0.00 H new ATOM 0 HD3 PRO A 121 17.907 -1.575 8.559 1.00 0.00 H new TER 1600 PRO A 121