USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 829 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 NoAdj-H: A 27 HIS HD1 : A 27 HIS ND1 : A 115 ZNZN :(H bumps) USER MOD Set 1.1: A 102 ASN : amide:sc= -0.96 K(o=-0.86,f=-2.7!) USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0.0986 USER MOD Set 2.1: A 50 LYS NZ :NH3+ 161:sc= 0.0151 (180deg=0) USER MOD Set 2.2: A 60 TYR OH : rot 180:sc= 0.0147 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.112 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.36 K(o=-1.4,f=-3.7!) USER MOD Single : A 11 GLN : amide:sc= 1.25 K(o=1.3,f=-0.28) USER MOD Single : A 12 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.49) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -4.19! C(o=-4.2!,f=-2.8!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= -0.458 USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0.886 USER MOD Single : A 54 LYS NZ :NH3+ -176:sc= 2.2 (180deg=2.13) USER MOD Single : A 66 SER OG : rot -164:sc= 1.16 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc=-0.00804 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.439 -13.257 -6.996 1.00 0.00 N ATOM 2 CA GLY A 1 -15.171 -11.896 -6.473 1.00 0.00 C ATOM 3 C GLY A 1 -16.265 -10.916 -6.843 1.00 0.00 C ATOM 4 O GLY A 1 -16.451 -10.598 -8.019 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.665 -13.894 -6.719 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.335 -13.610 -6.603 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.505 -13.223 -8.033 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.075 -11.938 -5.388 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.218 -11.539 -6.864 1.00 0.00 H new ATOM 10 N SER A 2 -17.028 -10.479 -5.849 1.00 0.00 N ATOM 11 CA SER A 2 -18.129 -9.555 -6.081 1.00 0.00 C ATOM 12 C SER A 2 -17.605 -8.159 -6.381 1.00 0.00 C ATOM 13 O SER A 2 -18.093 -7.472 -7.282 1.00 0.00 O ATOM 14 CB SER A 2 -19.041 -9.528 -4.856 1.00 0.00 C ATOM 15 OG SER A 2 -18.712 -10.579 -3.962 1.00 0.00 O ATOM 0 H SER A 2 -16.904 -10.750 -4.874 1.00 0.00 H new ATOM 0 HA SER A 2 -18.699 -9.895 -6.946 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.947 -8.569 -4.347 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.081 -9.622 -5.169 1.00 0.00 H new ATOM 0 HG SER A 2 -19.306 -10.544 -3.183 1.00 0.00 H new ATOM 21 N LEU A 3 -16.551 -7.787 -5.681 1.00 0.00 N ATOM 22 CA LEU A 3 -15.891 -6.512 -5.903 1.00 0.00 C ATOM 23 C LEU A 3 -14.540 -6.736 -6.561 1.00 0.00 C ATOM 24 O LEU A 3 -14.398 -7.601 -7.430 1.00 0.00 O ATOM 25 CB LEU A 3 -15.726 -5.763 -4.580 1.00 0.00 C ATOM 26 CG LEU A 3 -17.019 -5.534 -3.801 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.959 -6.230 -2.450 1.00 0.00 C ATOM 28 CD2 LEU A 3 -17.274 -4.048 -3.627 1.00 0.00 C ATOM 0 H LEU A 3 -16.129 -8.355 -4.946 1.00 0.00 H new ATOM 0 HA LEU A 3 -16.507 -5.905 -6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -15.033 -6.320 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -15.266 -4.796 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 3 -17.846 -5.962 -4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.889 -6.056 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.821 -7.301 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.124 -5.833 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -18.199 -3.900 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.445 -3.598 -3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -17.361 -3.577 -4.606 1.00 0.00 H new ATOM 40 N LEU A 4 -13.558 -5.943 -6.166 1.00 0.00 N ATOM 41 CA LEU A 4 -12.226 -6.032 -6.714 1.00 0.00 C ATOM 42 C LEU A 4 -11.541 -7.322 -6.281 1.00 0.00 C ATOM 43 O LEU A 4 -11.897 -7.915 -5.263 1.00 0.00 O ATOM 44 CB LEU A 4 -11.418 -4.850 -6.243 1.00 0.00 C ATOM 45 CG LEU A 4 -12.043 -3.486 -6.506 1.00 0.00 C ATOM 46 CD1 LEU A 4 -12.902 -3.474 -7.761 1.00 0.00 C ATOM 47 CD2 LEU A 4 -12.828 -3.002 -5.298 1.00 0.00 C ATOM 0 H LEU A 4 -13.668 -5.220 -5.455 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.296 -6.031 -7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.247 -4.952 -5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.442 -4.883 -6.726 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.222 -2.790 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.324 -2.479 -7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.289 -3.735 -8.624 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.709 -4.199 -7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.263 -2.026 -5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.624 -3.712 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.161 -2.920 -4.440 1.00 0.00 H new ATOM 59 N THR A 5 -10.476 -7.671 -6.971 1.00 0.00 N ATOM 60 CA THR A 5 -9.643 -8.786 -6.571 1.00 0.00 C ATOM 61 C THR A 5 -8.217 -8.302 -6.368 1.00 0.00 C ATOM 62 O THR A 5 -7.723 -7.481 -7.136 1.00 0.00 O ATOM 63 CB THR A 5 -9.671 -9.923 -7.605 1.00 0.00 C ATOM 64 OG1 THR A 5 -10.345 -9.496 -8.799 1.00 0.00 O ATOM 65 CG2 THR A 5 -10.381 -11.134 -7.035 1.00 0.00 C ATOM 0 H THR A 5 -10.165 -7.195 -7.818 1.00 0.00 H new ATOM 0 HA THR A 5 -10.038 -9.186 -5.637 1.00 0.00 H new ATOM 0 HB THR A 5 -8.642 -10.189 -7.848 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.354 -10.229 -9.449 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.394 -11.932 -7.778 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.856 -11.477 -6.143 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.405 -10.866 -6.773 1.00 0.00 H new ATOM 73 N CYS A 6 -7.621 -8.696 -5.259 1.00 0.00 N ATOM 74 CA CYS A 6 -6.308 -8.203 -4.888 1.00 0.00 C ATOM 75 C CYS A 6 -5.224 -9.069 -5.515 1.00 0.00 C ATOM 76 O CYS A 6 -5.335 -10.293 -5.541 1.00 0.00 O ATOM 77 CB CYS A 6 -6.202 -8.156 -3.357 1.00 0.00 C ATOM 78 SG CYS A 6 -4.609 -8.664 -2.633 1.00 0.00 S ATOM 0 H CYS A 6 -8.026 -9.358 -4.597 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.165 -7.191 -5.268 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.414 -7.138 -3.032 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.983 -8.793 -2.942 1.00 0.00 H new ATOM 83 N GLY A 7 -4.223 -8.423 -6.095 1.00 0.00 N ATOM 84 CA GLY A 7 -3.162 -9.143 -6.771 1.00 0.00 C ATOM 85 C GLY A 7 -2.190 -9.779 -5.800 1.00 0.00 C ATOM 86 O GLY A 7 -1.280 -10.508 -6.202 1.00 0.00 O ATOM 0 H GLY A 7 -4.126 -7.408 -6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.597 -9.916 -7.405 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.622 -8.459 -7.426 1.00 0.00 H new ATOM 90 N GLY A 8 -2.389 -9.511 -4.520 1.00 0.00 N ATOM 91 CA GLY A 8 -1.531 -10.071 -3.505 1.00 0.00 C ATOM 92 C GLY A 8 -1.960 -11.462 -3.089 1.00 0.00 C ATOM 93 O GLY A 8 -1.169 -12.401 -3.139 1.00 0.00 O ATOM 0 H GLY A 8 -3.135 -8.912 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.507 -10.106 -3.877 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.531 -9.418 -2.632 1.00 0.00 H new ATOM 97 N CYS A 9 -3.211 -11.599 -2.676 1.00 0.00 N ATOM 98 CA CYS A 9 -3.711 -12.887 -2.219 1.00 0.00 C ATOM 99 C CYS A 9 -4.689 -13.495 -3.220 1.00 0.00 C ATOM 100 O CYS A 9 -4.869 -14.714 -3.261 1.00 0.00 O ATOM 101 CB CYS A 9 -4.381 -12.730 -0.855 1.00 0.00 C ATOM 102 SG CYS A 9 -5.846 -11.652 -0.863 1.00 0.00 S ATOM 0 H CYS A 9 -3.893 -10.841 -2.648 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.863 -13.566 -2.130 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.671 -13.715 -0.490 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.653 -12.330 -0.149 1.00 0.00 H new ATOM 107 N GLN A 10 -5.342 -12.628 -3.991 1.00 0.00 N ATOM 108 CA GLN A 10 -6.327 -13.040 -4.990 1.00 0.00 C ATOM 109 C GLN A 10 -7.564 -13.660 -4.338 1.00 0.00 C ATOM 110 O GLN A 10 -8.334 -14.364 -4.990 1.00 0.00 O ATOM 111 CB GLN A 10 -5.703 -14.013 -5.999 1.00 0.00 C ATOM 112 CG GLN A 10 -5.510 -13.409 -7.379 1.00 0.00 C ATOM 113 CD GLN A 10 -6.817 -12.963 -8.002 1.00 0.00 C ATOM 114 OE1 GLN A 10 -7.124 -11.772 -8.050 1.00 0.00 O ATOM 115 NE2 GLN A 10 -7.599 -13.915 -8.480 1.00 0.00 N ATOM 0 H GLN A 10 -5.203 -11.619 -3.941 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.648 -12.145 -5.524 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.738 -14.349 -5.619 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.338 -14.895 -6.082 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.835 -12.556 -7.308 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.032 -14.141 -8.030 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.309 -14.891 -8.421 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.493 -13.674 -8.908 1.00 0.00 H new ATOM 124 N GLN A 11 -7.783 -13.352 -3.063 1.00 0.00 N ATOM 125 CA GLN A 11 -8.938 -13.876 -2.345 1.00 0.00 C ATOM 126 C GLN A 11 -10.128 -12.918 -2.442 1.00 0.00 C ATOM 127 O GLN A 11 -11.134 -13.093 -1.747 1.00 0.00 O ATOM 128 CB GLN A 11 -8.574 -14.147 -0.878 1.00 0.00 C ATOM 129 CG GLN A 11 -8.742 -12.946 0.038 1.00 0.00 C ATOM 130 CD GLN A 11 -8.231 -13.203 1.440 1.00 0.00 C ATOM 131 OE1 GLN A 11 -8.986 -13.617 2.323 1.00 0.00 O ATOM 132 NE2 GLN A 11 -6.952 -12.952 1.653 1.00 0.00 N ATOM 0 H GLN A 11 -7.179 -12.745 -2.509 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.231 -14.817 -2.810 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.194 -14.963 -0.506 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.539 -14.485 -0.829 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.212 -12.094 -0.387 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.797 -12.675 0.084 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.366 -12.611 0.891 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.551 -13.100 2.579 1.00 0.00 H new ATOM 141 N ASN A 12 -10.002 -11.918 -3.322 1.00 0.00 N ATOM 142 CA ASN A 12 -11.049 -10.914 -3.546 1.00 0.00 C ATOM 143 C ASN A 12 -11.105 -9.917 -2.386 1.00 0.00 C ATOM 144 O ASN A 12 -10.889 -10.276 -1.228 1.00 0.00 O ATOM 145 CB ASN A 12 -12.418 -11.586 -3.778 1.00 0.00 C ATOM 146 CG ASN A 12 -13.601 -10.757 -3.302 1.00 0.00 C ATOM 147 OD1 ASN A 12 -14.199 -10.007 -4.072 1.00 0.00 O ATOM 148 ND2 ASN A 12 -13.952 -10.897 -2.034 1.00 0.00 N ATOM 0 H ASN A 12 -9.172 -11.782 -3.899 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.799 -10.358 -4.449 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.535 -11.791 -4.842 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.431 -12.548 -3.265 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.744 -10.372 -1.663 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.430 -11.529 -1.427 1.00 0.00 H new ATOM 155 N ILE A 13 -11.329 -8.656 -2.714 1.00 0.00 N ATOM 156 CA ILE A 13 -11.370 -7.598 -1.723 1.00 0.00 C ATOM 157 C ILE A 13 -12.809 -7.288 -1.322 1.00 0.00 C ATOM 158 O ILE A 13 -13.593 -6.776 -2.123 1.00 0.00 O ATOM 159 CB ILE A 13 -10.694 -6.324 -2.259 1.00 0.00 C ATOM 160 CG1 ILE A 13 -9.393 -6.682 -2.974 1.00 0.00 C ATOM 161 CG2 ILE A 13 -10.429 -5.336 -1.136 1.00 0.00 C ATOM 162 CD1 ILE A 13 -9.031 -5.732 -4.091 1.00 0.00 C ATOM 0 H ILE A 13 -11.487 -8.339 -3.671 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.826 -7.943 -0.844 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.369 -5.850 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.582 -6.698 -2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.478 -7.690 -3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.951 -4.444 -1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.372 -5.060 -0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.774 -5.794 -0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.096 -6.051 -4.551 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.823 -5.733 -4.840 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.913 -4.726 -3.689 1.00 0.00 H new ATOM 174 N GLY A 14 -13.161 -7.641 -0.095 1.00 0.00 N ATOM 175 CA GLY A 14 -14.509 -7.414 0.392 1.00 0.00 C ATOM 176 C GLY A 14 -14.527 -6.479 1.580 1.00 0.00 C ATOM 177 O GLY A 14 -15.477 -6.463 2.363 1.00 0.00 O ATOM 0 H GLY A 14 -12.534 -8.083 0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.119 -6.996 -0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.959 -8.366 0.672 1.00 0.00 H new ATOM 181 N ASP A 15 -13.443 -5.741 1.739 1.00 0.00 N ATOM 182 CA ASP A 15 -13.276 -4.830 2.870 1.00 0.00 C ATOM 183 C ASP A 15 -14.083 -3.552 2.681 1.00 0.00 C ATOM 184 O ASP A 15 -14.780 -3.383 1.681 1.00 0.00 O ATOM 185 CB ASP A 15 -11.805 -4.460 3.043 1.00 0.00 C ATOM 186 CG ASP A 15 -11.046 -5.436 3.915 1.00 0.00 C ATOM 187 OD1 ASP A 15 -11.671 -6.070 4.793 1.00 0.00 O ATOM 188 OD2 ASP A 15 -9.816 -5.562 3.737 1.00 0.00 O ATOM 0 H ASP A 15 -12.653 -5.752 1.093 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.638 -5.349 3.758 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.331 -4.413 2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.736 -3.463 3.479 1.00 0.00 H new ATOM 193 N ARG A 16 -13.880 -2.604 3.583 1.00 0.00 N ATOM 194 CA ARG A 16 -14.470 -1.283 3.443 1.00 0.00 C ATOM 195 C ARG A 16 -13.426 -0.323 2.893 1.00 0.00 C ATOM 196 O ARG A 16 -13.753 0.708 2.306 1.00 0.00 O ATOM 197 CB ARG A 16 -15.005 -0.761 4.790 1.00 0.00 C ATOM 198 CG ARG A 16 -13.990 0.046 5.589 1.00 0.00 C ATOM 199 CD ARG A 16 -14.101 -0.212 7.083 1.00 0.00 C ATOM 200 NE ARG A 16 -13.395 -1.427 7.482 1.00 0.00 N ATOM 201 CZ ARG A 16 -13.886 -2.337 8.326 1.00 0.00 C ATOM 202 NH1 ARG A 16 -15.088 -2.171 8.867 1.00 0.00 N ATOM 203 NH2 ARG A 16 -13.175 -3.423 8.620 1.00 0.00 N ATOM 0 H ARG A 16 -13.310 -2.726 4.420 1.00 0.00 H new ATOM 0 HA ARG A 16 -15.312 -1.352 2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -15.882 -0.141 4.605 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -15.335 -1.608 5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.984 -0.204 5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.137 1.108 5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.695 0.639 7.629 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -15.152 -0.296 7.359 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.467 -1.590 7.091 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -15.641 -1.345 8.638 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.458 -2.870 9.511 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.255 -3.560 8.200 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.550 -4.119 9.265 1.00 0.00 H new ATOM 217 N TYR A 17 -12.163 -0.661 3.118 1.00 0.00 N ATOM 218 CA TYR A 17 -11.061 0.199 2.732 1.00 0.00 C ATOM 219 C TYR A 17 -9.923 -0.667 2.205 1.00 0.00 C ATOM 220 O TYR A 17 -9.736 -1.792 2.673 1.00 0.00 O ATOM 221 CB TYR A 17 -10.606 0.999 3.957 1.00 0.00 C ATOM 222 CG TYR A 17 -10.371 2.468 3.695 1.00 0.00 C ATOM 223 CD1 TYR A 17 -11.443 3.319 3.449 1.00 0.00 C ATOM 224 CD2 TYR A 17 -9.096 3.012 3.729 1.00 0.00 C ATOM 225 CE1 TYR A 17 -11.248 4.666 3.229 1.00 0.00 C ATOM 226 CE2 TYR A 17 -8.893 4.362 3.512 1.00 0.00 C ATOM 227 CZ TYR A 17 -9.973 5.186 3.265 1.00 0.00 C ATOM 228 OH TYR A 17 -9.774 6.533 3.044 1.00 0.00 O ATOM 0 H TYR A 17 -11.879 -1.531 3.569 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.369 0.893 1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.357 0.898 4.740 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.685 0.560 4.340 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.446 2.918 3.430 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.249 2.372 3.928 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.091 5.311 3.029 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.894 4.771 3.536 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.817 6.737 3.105 1.00 0.00 H new ATOM 238 N PHE A 18 -9.224 -0.196 1.183 1.00 0.00 N ATOM 239 CA PHE A 18 -8.168 -0.989 0.563 1.00 0.00 C ATOM 240 C PHE A 18 -7.202 -0.114 -0.235 1.00 0.00 C ATOM 241 O PHE A 18 -7.255 1.112 -0.166 1.00 0.00 O ATOM 242 CB PHE A 18 -8.775 -2.085 -0.330 1.00 0.00 C ATOM 243 CG PHE A 18 -9.266 -1.610 -1.671 1.00 0.00 C ATOM 244 CD1 PHE A 18 -10.088 -0.501 -1.782 1.00 0.00 C ATOM 245 CD2 PHE A 18 -8.907 -2.289 -2.824 1.00 0.00 C ATOM 246 CE1 PHE A 18 -10.542 -0.079 -3.014 1.00 0.00 C ATOM 247 CE2 PHE A 18 -9.356 -1.870 -4.058 1.00 0.00 C ATOM 248 CZ PHE A 18 -10.176 -0.764 -4.153 1.00 0.00 C ATOM 0 H PHE A 18 -9.366 0.724 0.766 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.596 -1.464 1.360 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.026 -2.861 -0.488 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.606 -2.548 0.202 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.377 0.040 -0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.268 -3.157 -2.755 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.183 0.787 -3.086 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.066 -2.407 -4.949 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.531 -0.435 -5.119 1.00 0.00 H new ATOM 258 N LEU A 19 -6.312 -0.759 -0.976 1.00 0.00 N ATOM 259 CA LEU A 19 -5.319 -0.069 -1.773 1.00 0.00 C ATOM 260 C LEU A 19 -5.403 -0.525 -3.224 1.00 0.00 C ATOM 261 O LEU A 19 -5.525 -1.713 -3.487 1.00 0.00 O ATOM 262 CB LEU A 19 -3.927 -0.388 -1.229 1.00 0.00 C ATOM 263 CG LEU A 19 -3.506 0.398 0.011 1.00 0.00 C ATOM 264 CD1 LEU A 19 -2.504 -0.401 0.830 1.00 0.00 C ATOM 265 CD2 LEU A 19 -2.917 1.739 -0.386 1.00 0.00 C ATOM 0 H LEU A 19 -6.262 -1.776 -1.039 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.504 1.004 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.883 -1.452 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.198 -0.205 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.389 0.577 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.214 0.173 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.958 -1.341 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.622 -0.608 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.622 2.286 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.043 1.580 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.662 2.315 -0.935 1.00 0.00 H new ATOM 277 N LYS A 20 -5.240 0.394 -4.162 1.00 0.00 N ATOM 278 CA LYS A 20 -5.143 0.021 -5.574 1.00 0.00 C ATOM 279 C LYS A 20 -4.514 1.160 -6.370 1.00 0.00 C ATOM 280 O LYS A 20 -4.879 2.320 -6.165 1.00 0.00 O ATOM 281 CB LYS A 20 -6.522 -0.363 -6.146 1.00 0.00 C ATOM 282 CG LYS A 20 -6.984 0.471 -7.336 1.00 0.00 C ATOM 283 CD LYS A 20 -8.116 1.414 -6.960 1.00 0.00 C ATOM 284 CE LYS A 20 -9.460 0.700 -6.985 1.00 0.00 C ATOM 285 NZ LYS A 20 -10.304 1.125 -8.129 1.00 0.00 N ATOM 0 H LYS A 20 -5.172 1.395 -3.980 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.503 -0.857 -5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.495 -1.411 -6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.264 -0.277 -5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.144 1.048 -7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.313 -0.190 -8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.937 1.823 -5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.136 2.256 -7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.296 -0.376 -7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.990 0.896 -6.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.208 0.612 -8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.484 2.147 -8.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.812 0.914 -9.021 1.00 0.00 H new ATOM 299 N ALA A 21 -3.565 0.831 -7.260 1.00 0.00 N ATOM 300 CA ALA A 21 -2.896 1.849 -8.088 1.00 0.00 C ATOM 301 C ALA A 21 -1.774 1.260 -8.936 1.00 0.00 C ATOM 302 O ALA A 21 -1.561 1.693 -10.066 1.00 0.00 O ATOM 303 CB ALA A 21 -2.318 2.971 -7.230 1.00 0.00 C ATOM 0 H ALA A 21 -3.245 -0.123 -7.425 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.665 2.248 -8.750 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.831 3.706 -7.871 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.121 3.452 -6.671 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.589 2.558 -6.534 1.00 0.00 H new ATOM 309 N ILE A 22 -0.944 0.428 -8.308 1.00 0.00 N ATOM 310 CA ILE A 22 0.292 -0.062 -8.926 1.00 0.00 C ATOM 311 C ILE A 22 0.081 -0.571 -10.352 1.00 0.00 C ATOM 312 O ILE A 22 0.855 -0.243 -11.251 1.00 0.00 O ATOM 313 CB ILE A 22 0.914 -1.198 -8.085 1.00 0.00 C ATOM 314 CG1 ILE A 22 1.243 -0.703 -6.679 1.00 0.00 C ATOM 315 CG2 ILE A 22 2.168 -1.740 -8.749 1.00 0.00 C ATOM 316 CD1 ILE A 22 1.793 -1.783 -5.775 1.00 0.00 C ATOM 0 H ILE A 22 -1.105 0.076 -7.364 1.00 0.00 H new ATOM 0 HA ILE A 22 0.966 0.794 -8.965 1.00 0.00 H new ATOM 0 HB ILE A 22 0.183 -2.003 -8.016 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.969 0.107 -6.748 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.342 -0.286 -6.228 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.587 -2.539 -8.137 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.917 -2.131 -9.735 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.900 -0.939 -8.852 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.005 -1.362 -4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.060 -2.583 -5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.712 -2.183 -6.204 1.00 0.00 H new ATOM 328 N ASP A 23 -0.960 -1.379 -10.534 1.00 0.00 N ATOM 329 CA ASP A 23 -1.265 -1.999 -11.826 1.00 0.00 C ATOM 330 C ASP A 23 -2.445 -2.950 -11.659 1.00 0.00 C ATOM 331 O ASP A 23 -3.120 -3.304 -12.621 1.00 0.00 O ATOM 332 CB ASP A 23 -0.010 -2.725 -12.373 1.00 0.00 C ATOM 333 CG ASP A 23 -0.266 -4.066 -13.041 1.00 0.00 C ATOM 334 OD1 ASP A 23 -0.883 -4.097 -14.127 1.00 0.00 O ATOM 335 OD2 ASP A 23 0.207 -5.095 -12.505 1.00 0.00 O ATOM 0 H ASP A 23 -1.617 -1.624 -9.793 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.543 -1.236 -12.554 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.483 -2.070 -13.091 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.688 -2.877 -11.549 1.00 0.00 H new ATOM 340 N GLN A 24 -2.792 -3.203 -10.402 1.00 0.00 N ATOM 341 CA GLN A 24 -3.967 -3.993 -10.064 1.00 0.00 C ATOM 342 C GLN A 24 -4.535 -3.511 -8.732 1.00 0.00 C ATOM 343 O GLN A 24 -3.962 -2.612 -8.101 1.00 0.00 O ATOM 344 CB GLN A 24 -3.603 -5.480 -9.980 1.00 0.00 C ATOM 345 CG GLN A 24 -2.584 -5.804 -8.898 1.00 0.00 C ATOM 346 CD GLN A 24 -1.222 -6.141 -9.466 1.00 0.00 C ATOM 347 OE1 GLN A 24 -0.859 -7.305 -9.587 1.00 0.00 O ATOM 348 NE2 GLN A 24 -0.448 -5.122 -9.802 1.00 0.00 N ATOM 0 H GLN A 24 -2.269 -2.868 -9.593 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.720 -3.868 -10.842 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.510 -6.056 -9.796 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.210 -5.803 -10.944 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.492 -4.953 -8.223 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.944 -6.644 -8.304 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.785 -4.166 -9.687 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.486 -5.292 -10.176 1.00 0.00 H new ATOM 357 N TYR A 25 -5.590 -4.164 -8.263 1.00 0.00 N ATOM 358 CA TYR A 25 -6.161 -3.849 -6.959 1.00 0.00 C ATOM 359 C TYR A 25 -5.460 -4.659 -5.878 1.00 0.00 C ATOM 360 O TYR A 25 -4.829 -5.676 -6.171 1.00 0.00 O ATOM 361 CB TYR A 25 -7.665 -4.132 -6.932 1.00 0.00 C ATOM 362 CG TYR A 25 -8.391 -3.745 -8.201 1.00 0.00 C ATOM 363 CD1 TYR A 25 -8.259 -2.475 -8.746 1.00 0.00 C ATOM 364 CD2 TYR A 25 -9.207 -4.657 -8.855 1.00 0.00 C ATOM 365 CE1 TYR A 25 -8.922 -2.125 -9.905 1.00 0.00 C ATOM 366 CE2 TYR A 25 -9.872 -4.315 -10.017 1.00 0.00 C ATOM 367 CZ TYR A 25 -9.725 -3.047 -10.538 1.00 0.00 C ATOM 368 OH TYR A 25 -10.381 -2.699 -11.701 1.00 0.00 O ATOM 0 H TYR A 25 -6.067 -4.913 -8.764 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.013 -2.786 -6.769 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.820 -5.195 -6.748 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.110 -3.595 -6.094 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.627 -1.749 -8.255 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -9.324 -5.651 -8.449 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.811 -1.132 -10.314 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.503 -5.037 -10.514 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.905 -3.462 -12.022 1.00 0.00 H new ATOM 378 N TRP A 26 -5.480 -4.154 -4.652 1.00 0.00 N ATOM 379 CA TRP A 26 -4.758 -4.790 -3.562 1.00 0.00 C ATOM 380 C TRP A 26 -5.576 -4.834 -2.282 1.00 0.00 C ATOM 381 O TRP A 26 -6.768 -4.535 -2.264 1.00 0.00 O ATOM 382 CB TRP A 26 -3.465 -4.035 -3.262 1.00 0.00 C ATOM 383 CG TRP A 26 -2.523 -3.948 -4.409 1.00 0.00 C ATOM 384 CD1 TRP A 26 -2.378 -2.902 -5.266 1.00 0.00 C ATOM 385 CD2 TRP A 26 -1.584 -4.941 -4.811 1.00 0.00 C ATOM 386 NE1 TRP A 26 -1.392 -3.177 -6.177 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.894 -4.430 -5.923 1.00 0.00 C ATOM 388 CE3 TRP A 26 -1.262 -6.215 -4.337 1.00 0.00 C ATOM 389 CZ2 TRP A 26 0.104 -5.150 -6.569 1.00 0.00 C ATOM 390 CZ3 TRP A 26 -0.271 -6.930 -4.982 1.00 0.00 C ATOM 391 CH2 TRP A 26 0.400 -6.394 -6.088 1.00 0.00 C ATOM 0 H TRP A 26 -5.987 -3.309 -4.389 1.00 0.00 H new ATOM 0 HA TRP A 26 -4.546 -5.808 -3.888 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.716 -3.025 -2.936 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.959 -4.523 -2.429 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.955 -1.989 -5.233 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.080 -2.553 -6.921 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -1.777 -6.632 -3.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.627 -4.741 -7.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -0.010 -7.916 -4.628 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.169 -6.977 -6.572 1.00 0.00 H new ATOM 402 N HIS A 27 -4.860 -5.056 -1.196 1.00 0.00 N ATOM 403 CA HIS A 27 -5.426 -5.033 0.140 1.00 0.00 C ATOM 404 C HIS A 27 -4.641 -4.059 0.999 1.00 0.00 C ATOM 405 O HIS A 27 -3.493 -3.741 0.684 1.00 0.00 O ATOM 406 CB HIS A 27 -5.355 -6.422 0.773 1.00 0.00 C ATOM 407 CG HIS A 27 -6.627 -7.200 0.699 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.660 -8.468 0.183 1.00 0.00 N ATOM 409 CD2 HIS A 27 -7.877 -6.862 1.108 1.00 0.00 C ATOM 410 CE1 HIS A 27 -7.909 -8.880 0.283 1.00 0.00 C ATOM 411 NE2 HIS A 27 -8.690 -7.938 0.840 1.00 0.00 N ATOM 0 H HIS A 27 -3.861 -5.259 -1.216 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.469 -4.724 0.075 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.566 -6.992 0.282 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.068 -6.317 1.819 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.176 -5.927 1.558 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.259 -9.849 -0.041 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.690 -8.008 1.027 1.00 0.00 H new ATOM 419 N GLU A 28 -5.224 -3.652 2.114 1.00 0.00 N ATOM 420 CA GLU A 28 -4.560 -2.772 3.048 1.00 0.00 C ATOM 421 C GLU A 28 -3.405 -3.486 3.741 1.00 0.00 C ATOM 422 O GLU A 28 -2.391 -2.872 4.070 1.00 0.00 O ATOM 423 CB GLU A 28 -5.565 -2.300 4.089 1.00 0.00 C ATOM 424 CG GLU A 28 -6.481 -1.196 3.600 1.00 0.00 C ATOM 425 CD GLU A 28 -7.377 -0.664 4.696 1.00 0.00 C ATOM 426 OE1 GLU A 28 -7.990 -1.475 5.421 1.00 0.00 O ATOM 427 OE2 GLU A 28 -7.456 0.570 4.850 1.00 0.00 O ATOM 0 H GLU A 28 -6.167 -3.923 2.392 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.157 -1.919 2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.171 -3.149 4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.025 -1.948 4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.880 -0.380 3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.096 -1.573 2.782 1.00 0.00 H new ATOM 434 N ASP A 29 -3.632 -4.744 4.101 1.00 0.00 N ATOM 435 CA ASP A 29 -2.671 -5.484 4.905 1.00 0.00 C ATOM 436 C ASP A 29 -1.877 -6.482 4.065 1.00 0.00 C ATOM 437 O ASP A 29 -0.838 -6.990 4.496 1.00 0.00 O ATOM 438 CB ASP A 29 -3.410 -6.175 6.062 1.00 0.00 C ATOM 439 CG ASP A 29 -3.076 -7.648 6.227 1.00 0.00 C ATOM 440 OD1 ASP A 29 -3.706 -8.486 5.540 1.00 0.00 O ATOM 441 OD2 ASP A 29 -2.211 -7.975 7.068 1.00 0.00 O ATOM 0 H ASP A 29 -4.469 -5.269 3.850 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.942 -4.786 5.316 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.174 -5.655 6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.484 -6.074 5.904 1.00 0.00 H new ATOM 446 N CYS A 30 -2.285 -6.650 2.821 1.00 0.00 N ATOM 447 CA CYS A 30 -1.559 -7.512 1.904 1.00 0.00 C ATOM 448 C CYS A 30 -0.253 -6.853 1.473 1.00 0.00 C ATOM 449 O CYS A 30 0.805 -7.481 1.487 1.00 0.00 O ATOM 450 CB CYS A 30 -2.430 -7.856 0.694 1.00 0.00 C ATOM 451 SG CYS A 30 -3.283 -9.462 0.860 1.00 0.00 S ATOM 0 H CYS A 30 -3.111 -6.204 2.423 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.312 -8.441 2.417 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.172 -7.070 0.553 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.808 -7.872 -0.201 1.00 0.00 H new ATOM 456 N LEU A 31 -0.328 -5.569 1.169 1.00 0.00 N ATOM 457 CA LEU A 31 0.853 -4.794 0.816 1.00 0.00 C ATOM 458 C LEU A 31 1.636 -4.410 2.069 1.00 0.00 C ATOM 459 O LEU A 31 1.173 -3.599 2.868 1.00 0.00 O ATOM 460 CB LEU A 31 0.449 -3.527 0.062 1.00 0.00 C ATOM 461 CG LEU A 31 -0.195 -3.753 -1.303 1.00 0.00 C ATOM 462 CD1 LEU A 31 -0.620 -2.429 -1.910 1.00 0.00 C ATOM 463 CD2 LEU A 31 0.762 -4.478 -2.232 1.00 0.00 C ATOM 0 H LEU A 31 -1.198 -5.037 1.159 1.00 0.00 H new ATOM 0 HA LEU A 31 1.485 -5.410 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.246 -2.961 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.335 -2.906 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.080 -4.375 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.078 -2.605 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.341 -1.942 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.253 -1.787 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.284 -4.630 -3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.665 -3.881 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.025 -5.444 -1.802 1.00 0.00 H new ATOM 475 N SER A 32 2.819 -4.989 2.239 1.00 0.00 N ATOM 476 CA SER A 32 3.660 -4.683 3.388 1.00 0.00 C ATOM 477 C SER A 32 5.158 -4.813 3.054 1.00 0.00 C ATOM 478 O SER A 32 5.695 -4.009 2.289 1.00 0.00 O ATOM 479 CB SER A 32 3.267 -5.573 4.569 1.00 0.00 C ATOM 480 OG SER A 32 2.764 -6.822 4.116 1.00 0.00 O ATOM 0 H SER A 32 3.217 -5.673 1.595 1.00 0.00 H new ATOM 0 HA SER A 32 3.496 -3.642 3.666 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.133 -5.736 5.211 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.512 -5.070 5.174 1.00 0.00 H new ATOM 0 HG SER A 32 2.520 -7.376 4.887 1.00 0.00 H new ATOM 486 N CYS A 33 5.830 -5.796 3.649 1.00 0.00 N ATOM 487 CA CYS A 33 7.263 -5.997 3.451 1.00 0.00 C ATOM 488 C CYS A 33 7.528 -7.044 2.365 1.00 0.00 C ATOM 489 O CYS A 33 7.241 -8.226 2.561 1.00 0.00 O ATOM 490 CB CYS A 33 7.887 -6.454 4.773 1.00 0.00 C ATOM 491 SG CYS A 33 8.799 -5.161 5.677 1.00 0.00 S ATOM 0 H CYS A 33 5.399 -6.472 4.279 1.00 0.00 H new ATOM 0 HA CYS A 33 7.709 -5.056 3.128 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.097 -6.839 5.417 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.565 -7.283 4.571 1.00 0.00 H new ATOM 496 N ASP A 34 8.097 -6.623 1.233 1.00 0.00 N ATOM 497 CA ASP A 34 8.370 -7.552 0.137 1.00 0.00 C ATOM 498 C ASP A 34 9.803 -8.059 0.186 1.00 0.00 C ATOM 499 O ASP A 34 10.054 -9.246 -0.015 1.00 0.00 O ATOM 500 CB ASP A 34 8.105 -6.895 -1.216 1.00 0.00 C ATOM 501 CG ASP A 34 7.566 -7.876 -2.247 1.00 0.00 C ATOM 502 OD1 ASP A 34 6.797 -8.783 -1.874 1.00 0.00 O ATOM 503 OD2 ASP A 34 7.910 -7.741 -3.440 1.00 0.00 O ATOM 0 H ASP A 34 8.374 -5.658 1.053 1.00 0.00 H new ATOM 0 HA ASP A 34 7.696 -8.400 0.258 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.392 -6.081 -1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.029 -6.453 -1.589 1.00 0.00 H new ATOM 508 N LEU A 35 10.737 -7.162 0.488 1.00 0.00 N ATOM 509 CA LEU A 35 12.149 -7.529 0.583 1.00 0.00 C ATOM 510 C LEU A 35 12.352 -8.539 1.703 1.00 0.00 C ATOM 511 O LEU A 35 12.973 -9.586 1.513 1.00 0.00 O ATOM 512 CB LEU A 35 13.017 -6.291 0.835 1.00 0.00 C ATOM 513 CG LEU A 35 14.475 -6.578 1.206 1.00 0.00 C ATOM 514 CD1 LEU A 35 15.352 -6.577 -0.036 1.00 0.00 C ATOM 515 CD2 LEU A 35 14.978 -5.557 2.216 1.00 0.00 C ATOM 0 H LEU A 35 10.544 -6.177 0.671 1.00 0.00 H new ATOM 0 HA LEU A 35 12.451 -7.977 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.003 -5.669 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.564 -5.707 1.636 1.00 0.00 H new ATOM 0 HG LEU A 35 14.526 -7.567 1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.384 -6.783 0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 35 15.005 -7.346 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 35 15.296 -5.602 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.016 -5.776 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.912 -4.557 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.367 -5.606 3.117 1.00 0.00 H new ATOM 527 N CYS A 36 11.785 -8.226 2.858 1.00 0.00 N ATOM 528 CA CYS A 36 11.866 -9.089 4.021 1.00 0.00 C ATOM 529 C CYS A 36 10.926 -10.284 3.885 1.00 0.00 C ATOM 530 O CYS A 36 11.156 -11.340 4.476 1.00 0.00 O ATOM 531 CB CYS A 36 11.536 -8.279 5.269 1.00 0.00 C ATOM 532 SG CYS A 36 12.377 -6.665 5.316 1.00 0.00 S ATOM 0 H CYS A 36 11.257 -7.367 3.013 1.00 0.00 H new ATOM 0 HA CYS A 36 12.880 -9.481 4.103 1.00 0.00 H new ATOM 0 HB2 CYS A 36 10.458 -8.122 5.319 1.00 0.00 H new ATOM 0 HB3 CYS A 36 11.815 -8.853 6.152 1.00 0.00 H new ATOM 537 N GLY A 37 9.901 -10.122 3.057 1.00 0.00 N ATOM 538 CA GLY A 37 8.981 -11.208 2.781 1.00 0.00 C ATOM 539 C GLY A 37 8.201 -11.645 4.003 1.00 0.00 C ATOM 540 O GLY A 37 7.927 -12.833 4.172 1.00 0.00 O ATOM 0 H GLY A 37 9.690 -9.251 2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.284 -10.898 2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.538 -12.059 2.389 1.00 0.00 H new ATOM 544 N CYS A 38 7.836 -10.689 4.850 1.00 0.00 N ATOM 545 CA CYS A 38 7.067 -10.991 6.049 1.00 0.00 C ATOM 546 C CYS A 38 5.699 -11.554 5.669 1.00 0.00 C ATOM 547 O CYS A 38 5.480 -12.764 5.735 1.00 0.00 O ATOM 548 CB CYS A 38 6.926 -9.739 6.915 1.00 0.00 C ATOM 549 SG CYS A 38 8.474 -8.828 7.128 1.00 0.00 S ATOM 0 H CYS A 38 8.060 -9.701 4.728 1.00 0.00 H new ATOM 0 HA CYS A 38 7.595 -11.747 6.630 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.184 -9.078 6.466 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.545 -10.026 7.895 1.00 0.00 H new ATOM 0 HG CYS A 38 8.264 -7.783 7.872 1.00 0.00 H new ATOM 555 N ARG A 39 4.826 -10.699 5.158 1.00 0.00 N ATOM 556 CA ARG A 39 3.544 -11.151 4.640 1.00 0.00 C ATOM 557 C ARG A 39 3.588 -11.211 3.121 1.00 0.00 C ATOM 558 O ARG A 39 2.995 -12.098 2.506 1.00 0.00 O ATOM 559 CB ARG A 39 2.406 -10.239 5.101 1.00 0.00 C ATOM 560 CG ARG A 39 1.185 -11.010 5.568 1.00 0.00 C ATOM 561 CD ARG A 39 -0.045 -10.125 5.670 1.00 0.00 C ATOM 562 NE ARG A 39 -0.898 -10.222 4.485 1.00 0.00 N ATOM 563 CZ ARG A 39 -1.657 -11.279 4.187 1.00 0.00 C ATOM 564 NH1 ARG A 39 -1.675 -12.342 4.987 1.00 0.00 N ATOM 565 NH2 ARG A 39 -2.403 -11.272 3.087 1.00 0.00 N ATOM 0 H ARG A 39 4.981 -9.693 5.091 1.00 0.00 H new ATOM 0 HA ARG A 39 3.353 -12.150 5.033 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.762 -9.605 5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.121 -9.579 4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.986 -11.828 4.875 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.390 -11.459 6.540 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.620 -10.406 6.553 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.266 -9.089 5.808 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.914 -9.429 3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.107 -12.353 5.834 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.257 -13.146 4.753 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.395 -10.459 2.471 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.983 -12.079 2.859 1.00 0.00 H new ATOM 579 N LEU A 40 4.322 -10.278 2.520 1.00 0.00 N ATOM 580 CA LEU A 40 4.498 -10.254 1.076 1.00 0.00 C ATOM 581 C LEU A 40 5.484 -11.338 0.630 1.00 0.00 C ATOM 582 O LEU A 40 5.313 -12.518 0.941 1.00 0.00 O ATOM 583 CB LEU A 40 5.012 -8.886 0.631 1.00 0.00 C ATOM 584 CG LEU A 40 3.950 -7.820 0.392 1.00 0.00 C ATOM 585 CD1 LEU A 40 4.603 -6.455 0.335 1.00 0.00 C ATOM 586 CD2 LEU A 40 3.188 -8.098 -0.892 1.00 0.00 C ATOM 0 H LEU A 40 4.805 -9.528 3.015 1.00 0.00 H new ATOM 0 HA LEU A 40 3.530 -10.447 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.706 -8.517 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.582 -9.016 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 40 3.238 -7.841 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.841 -5.694 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.110 -6.255 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.328 -6.432 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.435 -7.325 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.881 -8.099 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.701 -9.070 -0.823 1.00 0.00 H new ATOM 598 N GLY A 41 6.483 -10.937 -0.146 1.00 0.00 N ATOM 599 CA GLY A 41 7.425 -11.887 -0.691 1.00 0.00 C ATOM 600 C GLY A 41 6.995 -12.336 -2.067 1.00 0.00 C ATOM 601 O GLY A 41 6.867 -13.535 -2.323 1.00 0.00 O ATOM 0 H GLY A 41 6.655 -9.966 -0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.416 -11.435 -0.744 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.503 -12.750 -0.029 1.00 0.00 H new ATOM 605 N GLU A 42 6.682 -11.354 -2.915 1.00 0.00 N ATOM 606 CA GLU A 42 6.168 -11.599 -4.256 1.00 0.00 C ATOM 607 C GLU A 42 4.975 -12.544 -4.233 1.00 0.00 C ATOM 608 O GLU A 42 5.079 -13.716 -4.601 1.00 0.00 O ATOM 609 CB GLU A 42 7.264 -12.135 -5.167 1.00 0.00 C ATOM 610 CG GLU A 42 7.743 -11.097 -6.160 1.00 0.00 C ATOM 611 CD GLU A 42 6.652 -10.660 -7.118 1.00 0.00 C ATOM 612 OE1 GLU A 42 5.613 -10.141 -6.646 1.00 0.00 O ATOM 613 OE2 GLU A 42 6.835 -10.819 -8.341 1.00 0.00 O ATOM 0 H GLU A 42 6.780 -10.365 -2.686 1.00 0.00 H new ATOM 0 HA GLU A 42 5.825 -10.645 -4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.106 -12.471 -4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.892 -13.006 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.116 -10.227 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.580 -11.502 -6.729 1.00 0.00 H new ATOM 620 N VAL A 43 3.856 -12.043 -3.733 1.00 0.00 N ATOM 621 CA VAL A 43 2.677 -12.871 -3.560 1.00 0.00 C ATOM 622 C VAL A 43 1.820 -12.930 -4.820 1.00 0.00 C ATOM 623 O VAL A 43 0.833 -13.663 -4.852 1.00 0.00 O ATOM 624 CB VAL A 43 1.811 -12.369 -2.389 1.00 0.00 C ATOM 625 CG1 VAL A 43 2.361 -12.872 -1.066 1.00 0.00 C ATOM 626 CG2 VAL A 43 1.725 -10.851 -2.394 1.00 0.00 C ATOM 0 H VAL A 43 3.741 -11.072 -3.442 1.00 0.00 H new ATOM 0 HA VAL A 43 3.042 -13.875 -3.343 1.00 0.00 H new ATOM 0 HB VAL A 43 0.803 -12.765 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.737 -12.508 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.362 -13.962 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.380 -12.508 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.109 -10.519 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.726 -10.430 -2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.279 -10.515 -3.330 1.00 0.00 H new ATOM 636 N GLY A 44 2.305 -12.355 -5.916 1.00 0.00 N ATOM 637 CA GLY A 44 1.648 -12.616 -7.179 1.00 0.00 C ATOM 638 C GLY A 44 1.858 -11.571 -8.260 1.00 0.00 C ATOM 639 O GLY A 44 1.314 -11.744 -9.354 1.00 0.00 O ATOM 0 H GLY A 44 3.113 -11.734 -5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.996 -13.577 -7.557 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.578 -12.714 -6.997 1.00 0.00 H new ATOM 643 N ARG A 45 2.719 -10.563 -8.029 1.00 0.00 N ATOM 644 CA ARG A 45 3.031 -9.583 -9.079 1.00 0.00 C ATOM 645 C ARG A 45 3.855 -8.393 -8.583 1.00 0.00 C ATOM 646 O ARG A 45 4.990 -8.208 -9.016 1.00 0.00 O ATOM 647 CB ARG A 45 1.755 -9.042 -9.730 1.00 0.00 C ATOM 648 CG ARG A 45 1.858 -8.899 -11.239 1.00 0.00 C ATOM 649 CD ARG A 45 0.540 -9.226 -11.916 1.00 0.00 C ATOM 650 NE ARG A 45 -0.249 -10.174 -11.130 1.00 0.00 N ATOM 651 CZ ARG A 45 -1.579 -10.247 -11.166 1.00 0.00 C ATOM 652 NH1 ARG A 45 -2.271 -9.378 -11.891 1.00 0.00 N ATOM 653 NH2 ARG A 45 -2.216 -11.167 -10.450 1.00 0.00 N ATOM 0 H ARG A 45 3.201 -10.409 -7.143 1.00 0.00 H new ATOM 0 HA ARG A 45 3.631 -10.132 -9.805 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.925 -9.707 -9.492 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.519 -8.070 -9.296 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.155 -7.881 -11.490 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.637 -9.561 -11.617 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.032 -8.310 -12.062 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.732 -9.643 -12.905 1.00 0.00 H new ATOM 0 HE ARG A 45 0.249 -10.819 -10.517 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.785 -8.654 -12.421 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.289 -9.434 -11.919 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.687 -11.819 -9.871 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.234 -11.221 -10.479 1.00 0.00 H new ATOM 667 N ARG A 46 3.184 -7.445 -7.926 1.00 0.00 N ATOM 668 CA ARG A 46 3.788 -6.130 -7.697 1.00 0.00 C ATOM 669 C ARG A 46 3.777 -5.703 -6.227 1.00 0.00 C ATOM 670 O ARG A 46 3.593 -6.525 -5.327 1.00 0.00 O ATOM 671 CB ARG A 46 3.081 -5.068 -8.546 1.00 0.00 C ATOM 672 CG ARG A 46 2.850 -5.486 -9.988 1.00 0.00 C ATOM 673 CD ARG A 46 3.020 -4.320 -10.946 1.00 0.00 C ATOM 674 NE ARG A 46 4.099 -4.553 -11.898 1.00 0.00 N ATOM 675 CZ ARG A 46 3.980 -5.294 -12.996 1.00 0.00 C ATOM 676 NH1 ARG A 46 2.793 -5.778 -13.358 1.00 0.00 N ATOM 677 NH2 ARG A 46 5.041 -5.507 -13.759 1.00 0.00 N ATOM 0 H ARG A 46 2.243 -7.558 -7.550 1.00 0.00 H new ATOM 0 HA ARG A 46 4.833 -6.218 -7.994 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.120 -4.831 -8.088 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.674 -4.153 -8.534 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.549 -6.279 -10.253 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.846 -5.898 -10.091 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.088 -4.155 -11.487 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.225 -3.411 -10.380 1.00 0.00 H new ATOM 0 HE ARG A 46 5.003 -4.120 -11.710 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.968 -5.581 -12.792 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.709 -6.346 -14.201 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.942 -5.104 -13.503 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.957 -6.074 -14.602 1.00 0.00 H new ATOM 691 N LEU A 47 4.124 -4.429 -6.016 1.00 0.00 N ATOM 692 CA LEU A 47 4.305 -3.821 -4.698 1.00 0.00 C ATOM 693 C LEU A 47 4.774 -2.390 -4.937 1.00 0.00 C ATOM 694 O LEU A 47 4.971 -2.015 -6.088 1.00 0.00 O ATOM 695 CB LEU A 47 5.357 -4.604 -3.889 1.00 0.00 C ATOM 696 CG LEU A 47 5.344 -4.421 -2.362 1.00 0.00 C ATOM 697 CD1 LEU A 47 6.592 -3.680 -1.914 1.00 0.00 C ATOM 698 CD2 LEU A 47 4.090 -3.693 -1.892 1.00 0.00 C ATOM 0 H LEU A 47 4.291 -3.775 -6.781 1.00 0.00 H new ATOM 0 HA LEU A 47 3.377 -3.837 -4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.228 -5.665 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.344 -4.322 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 47 5.335 -5.411 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.572 -3.556 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.476 -4.251 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.624 -2.700 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.118 -3.583 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.046 -2.708 -2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.208 -4.267 -2.176 1.00 0.00 H new ATOM 710 N TYR A 48 5.128 -1.664 -3.888 1.00 0.00 N ATOM 711 CA TYR A 48 5.852 -0.427 -4.089 1.00 0.00 C ATOM 712 C TYR A 48 7.283 -0.829 -4.378 1.00 0.00 C ATOM 713 O TYR A 48 7.994 -1.266 -3.482 1.00 0.00 O ATOM 714 CB TYR A 48 5.780 0.490 -2.857 1.00 0.00 C ATOM 715 CG TYR A 48 6.537 1.791 -3.038 1.00 0.00 C ATOM 716 CD1 TYR A 48 6.847 2.246 -4.313 1.00 0.00 C ATOM 717 CD2 TYR A 48 6.956 2.552 -1.947 1.00 0.00 C ATOM 718 CE1 TYR A 48 7.559 3.411 -4.507 1.00 0.00 C ATOM 719 CE2 TYR A 48 7.664 3.726 -2.136 1.00 0.00 C ATOM 720 CZ TYR A 48 7.964 4.148 -3.417 1.00 0.00 C ATOM 721 OH TYR A 48 8.684 5.306 -3.611 1.00 0.00 O ATOM 0 H TYR A 48 4.931 -1.904 -2.916 1.00 0.00 H new ATOM 0 HA TYR A 48 5.417 0.146 -4.908 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.736 0.712 -2.637 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.182 -0.040 -1.993 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.524 1.675 -5.171 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.726 2.222 -0.945 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.797 3.743 -5.507 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.981 4.310 -1.285 1.00 0.00 H new ATOM 0 HH TYR A 48 8.429 5.711 -4.466 1.00 0.00 H new ATOM 731 N TYR A 49 7.579 -0.980 -5.649 1.00 0.00 N ATOM 732 CA TYR A 49 8.780 -1.682 -6.030 1.00 0.00 C ATOM 733 C TYR A 49 9.624 -0.875 -6.999 1.00 0.00 C ATOM 734 O TYR A 49 9.113 -0.050 -7.761 1.00 0.00 O ATOM 735 CB TYR A 49 8.396 -3.057 -6.600 1.00 0.00 C ATOM 736 CG TYR A 49 7.913 -3.062 -8.037 1.00 0.00 C ATOM 737 CD1 TYR A 49 6.596 -2.754 -8.351 1.00 0.00 C ATOM 738 CD2 TYR A 49 8.767 -3.411 -9.077 1.00 0.00 C ATOM 739 CE1 TYR A 49 6.146 -2.787 -9.654 1.00 0.00 C ATOM 740 CE2 TYR A 49 8.324 -3.440 -10.385 1.00 0.00 C ATOM 741 CZ TYR A 49 7.010 -3.132 -10.665 1.00 0.00 C ATOM 742 OH TYR A 49 6.553 -3.178 -11.962 1.00 0.00 O ATOM 0 H TYR A 49 7.014 -0.632 -6.424 1.00 0.00 H new ATOM 0 HA TYR A 49 9.403 -1.829 -5.148 1.00 0.00 H new ATOM 0 HB2 TYR A 49 9.261 -3.715 -6.525 1.00 0.00 H new ATOM 0 HB3 TYR A 49 7.614 -3.485 -5.972 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.912 -2.484 -7.560 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.794 -3.664 -8.859 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.118 -2.543 -9.879 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.003 -3.702 -11.183 1.00 0.00 H new ATOM 0 HH TYR A 49 7.286 -3.437 -12.558 1.00 0.00 H new ATOM 752 N LYS A 50 10.929 -1.094 -6.925 1.00 0.00 N ATOM 753 CA LYS A 50 11.883 -0.392 -7.756 1.00 0.00 C ATOM 754 C LYS A 50 11.897 -0.973 -9.162 1.00 0.00 C ATOM 755 O LYS A 50 11.267 -1.998 -9.406 1.00 0.00 O ATOM 756 CB LYS A 50 13.272 -0.485 -7.129 1.00 0.00 C ATOM 757 CG LYS A 50 13.605 0.679 -6.211 1.00 0.00 C ATOM 758 CD LYS A 50 13.552 2.003 -6.952 1.00 0.00 C ATOM 759 CE LYS A 50 14.153 3.126 -6.127 1.00 0.00 C ATOM 760 NZ LYS A 50 13.197 4.251 -5.944 1.00 0.00 N ATOM 0 H LYS A 50 11.352 -1.766 -6.284 1.00 0.00 H new ATOM 0 HA LYS A 50 11.590 0.656 -7.825 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.345 -1.414 -6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 50 14.017 -0.535 -7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.903 0.699 -5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 50 14.599 0.537 -5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.090 1.915 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.517 2.243 -7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.452 2.741 -5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.056 3.492 -6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.498 4.835 -5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.178 4.834 -6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.246 3.872 -5.761 1.00 0.00 H new ATOM 774 N LEU A 51 12.587 -0.277 -10.067 1.00 0.00 N ATOM 775 CA LEU A 51 12.689 -0.639 -11.492 1.00 0.00 C ATOM 776 C LEU A 51 12.588 -2.144 -11.710 1.00 0.00 C ATOM 777 O LEU A 51 11.657 -2.630 -12.356 1.00 0.00 O ATOM 778 CB LEU A 51 14.014 -0.138 -12.107 1.00 0.00 C ATOM 779 CG LEU A 51 14.672 1.107 -11.477 1.00 0.00 C ATOM 780 CD1 LEU A 51 13.667 2.237 -11.291 1.00 0.00 C ATOM 781 CD2 LEU A 51 15.356 0.752 -10.159 1.00 0.00 C ATOM 0 H LEU A 51 13.102 0.571 -9.831 1.00 0.00 H new ATOM 0 HA LEU A 51 11.848 -0.153 -11.987 1.00 0.00 H new ATOM 0 HB2 LEU A 51 14.734 -0.955 -12.064 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.835 0.074 -13.161 1.00 0.00 H new ATOM 0 HG LEU A 51 15.436 1.464 -12.168 1.00 0.00 H new ATOM 0 HD11 LEU A 51 14.166 3.098 -10.845 1.00 0.00 H new ATOM 0 HD12 LEU A 51 13.253 2.519 -12.259 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.862 1.904 -10.636 1.00 0.00 H new ATOM 0 HD21 LEU A 51 15.813 1.646 -9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 51 14.618 0.355 -9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 51 16.126 0.002 -10.339 1.00 0.00 H new ATOM 793 N GLY A 52 13.535 -2.879 -11.149 1.00 0.00 N ATOM 794 CA GLY A 52 13.510 -4.319 -11.256 1.00 0.00 C ATOM 795 C GLY A 52 13.712 -4.991 -9.915 1.00 0.00 C ATOM 796 O GLY A 52 14.129 -6.149 -9.851 1.00 0.00 O ATOM 0 H GLY A 52 14.322 -2.502 -10.621 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.557 -4.635 -11.680 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.289 -4.645 -11.946 1.00 0.00 H new ATOM 800 N ARG A 53 13.468 -4.253 -8.838 1.00 0.00 N ATOM 801 CA ARG A 53 13.670 -4.783 -7.494 1.00 0.00 C ATOM 802 C ARG A 53 12.472 -4.490 -6.605 1.00 0.00 C ATOM 803 O ARG A 53 12.222 -3.346 -6.234 1.00 0.00 O ATOM 804 CB ARG A 53 14.932 -4.195 -6.869 1.00 0.00 C ATOM 805 CG ARG A 53 16.166 -4.393 -7.721 1.00 0.00 C ATOM 806 CD ARG A 53 17.321 -4.954 -6.913 1.00 0.00 C ATOM 807 NE ARG A 53 18.512 -5.138 -7.737 1.00 0.00 N ATOM 808 CZ ARG A 53 19.648 -4.468 -7.562 1.00 0.00 C ATOM 809 NH1 ARG A 53 19.773 -3.616 -6.549 1.00 0.00 N ATOM 810 NH2 ARG A 53 20.658 -4.648 -8.404 1.00 0.00 N ATOM 0 H ARG A 53 13.132 -3.291 -8.868 1.00 0.00 H new ATOM 0 HA ARG A 53 13.784 -5.864 -7.578 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.783 -3.129 -6.699 1.00 0.00 H new ATOM 0 HB3 ARG A 53 15.094 -4.654 -5.894 1.00 0.00 H new ATOM 0 HG2 ARG A 53 15.935 -5.069 -8.544 1.00 0.00 H new ATOM 0 HG3 ARG A 53 16.460 -3.441 -8.163 1.00 0.00 H new ATOM 0 HD2 ARG A 53 17.549 -4.280 -6.087 1.00 0.00 H new ATOM 0 HD3 ARG A 53 17.030 -5.909 -6.475 1.00 0.00 H new ATOM 0 HE ARG A 53 18.471 -5.822 -8.493 1.00 0.00 H new ATOM 0 HH11 ARG A 53 18.996 -3.474 -5.903 1.00 0.00 H new ATOM 0 HH12 ARG A 53 20.645 -3.104 -6.418 1.00 0.00 H new ATOM 0 HH21 ARG A 53 20.562 -5.299 -9.183 1.00 0.00 H new ATOM 0 HH22 ARG A 53 21.530 -4.135 -8.272 1.00 0.00 H new ATOM 824 N LYS A 54 11.755 -5.534 -6.244 1.00 0.00 N ATOM 825 CA LYS A 54 10.598 -5.403 -5.381 1.00 0.00 C ATOM 826 C LYS A 54 11.012 -5.445 -3.917 1.00 0.00 C ATOM 827 O LYS A 54 11.457 -6.483 -3.422 1.00 0.00 O ATOM 828 CB LYS A 54 9.610 -6.528 -5.664 1.00 0.00 C ATOM 829 CG LYS A 54 9.199 -6.632 -7.121 1.00 0.00 C ATOM 830 CD LYS A 54 7.970 -7.503 -7.280 1.00 0.00 C ATOM 831 CE LYS A 54 6.784 -6.926 -6.531 1.00 0.00 C ATOM 832 NZ LYS A 54 6.268 -7.852 -5.489 1.00 0.00 N ATOM 0 H LYS A 54 11.955 -6.490 -6.537 1.00 0.00 H new ATOM 0 HA LYS A 54 10.125 -4.442 -5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.053 -7.474 -5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.719 -6.378 -5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.997 -5.637 -7.517 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.021 -7.047 -7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.724 -7.598 -8.338 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.183 -8.506 -6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.075 -5.985 -6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.987 -6.698 -7.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.418 -7.443 -5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.028 -8.766 -5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.997 -7.996 -4.761 1.00 0.00 H new ATOM 846 N LEU A 55 10.892 -4.318 -3.232 1.00 0.00 N ATOM 847 CA LEU A 55 11.268 -4.248 -1.828 1.00 0.00 C ATOM 848 C LEU A 55 10.548 -3.107 -1.120 1.00 0.00 C ATOM 849 O LEU A 55 9.881 -2.296 -1.754 1.00 0.00 O ATOM 850 CB LEU A 55 12.793 -4.127 -1.693 1.00 0.00 C ATOM 851 CG LEU A 55 13.373 -2.714 -1.711 1.00 0.00 C ATOM 852 CD1 LEU A 55 14.808 -2.740 -1.208 1.00 0.00 C ATOM 853 CD2 LEU A 55 13.311 -2.122 -3.112 1.00 0.00 C ATOM 0 H LEU A 55 10.539 -3.444 -3.622 1.00 0.00 H new ATOM 0 HA LEU A 55 10.957 -5.172 -1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 55 13.091 -4.605 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.252 -4.694 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 55 12.776 -2.083 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.217 -1.730 -1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.829 -3.125 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.408 -3.384 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.729 -1.116 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.886 -2.746 -3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.274 -2.080 -3.444 1.00 0.00 H new ATOM 865 N CYS A 56 10.574 -3.163 0.199 1.00 0.00 N ATOM 866 CA CYS A 56 9.813 -2.265 1.048 1.00 0.00 C ATOM 867 C CYS A 56 10.367 -0.833 1.029 1.00 0.00 C ATOM 868 O CYS A 56 11.528 -0.620 0.706 1.00 0.00 O ATOM 869 CB CYS A 56 9.858 -2.856 2.444 1.00 0.00 C ATOM 870 SG CYS A 56 10.853 -4.392 2.524 1.00 0.00 S ATOM 0 H CYS A 56 11.131 -3.842 0.717 1.00 0.00 H new ATOM 0 HA CYS A 56 8.788 -2.180 0.686 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.274 -2.121 3.133 1.00 0.00 H new ATOM 0 HB3 CYS A 56 8.842 -3.067 2.779 1.00 0.00 H new ATOM 875 N ARG A 57 9.506 0.144 1.314 1.00 0.00 N ATOM 876 CA ARG A 57 9.875 1.562 1.222 1.00 0.00 C ATOM 877 C ARG A 57 10.987 1.940 2.204 1.00 0.00 C ATOM 878 O ARG A 57 12.036 2.446 1.797 1.00 0.00 O ATOM 879 CB ARG A 57 8.633 2.445 1.440 1.00 0.00 C ATOM 880 CG ARG A 57 8.929 3.885 1.862 1.00 0.00 C ATOM 881 CD ARG A 57 9.780 4.626 0.838 1.00 0.00 C ATOM 882 NE ARG A 57 9.038 5.672 0.147 1.00 0.00 N ATOM 883 CZ ARG A 57 9.580 6.518 -0.725 1.00 0.00 C ATOM 884 NH1 ARG A 57 10.872 6.428 -1.027 1.00 0.00 N ATOM 885 NH2 ARG A 57 8.829 7.448 -1.297 1.00 0.00 N ATOM 0 H ARG A 57 8.544 -0.019 1.612 1.00 0.00 H new ATOM 0 HA ARG A 57 10.268 1.734 0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.053 2.465 0.517 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.005 1.981 2.201 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.990 4.419 2.005 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.443 3.881 2.823 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.642 5.067 1.338 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.165 3.915 0.107 1.00 0.00 H new ATOM 0 HE ARG A 57 8.041 5.761 0.344 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.449 5.709 -0.590 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.286 7.077 -1.696 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.837 7.514 -1.068 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.243 8.098 -1.966 1.00 0.00 H new ATOM 899 N ARG A 58 10.725 1.786 3.493 1.00 0.00 N ATOM 900 CA ARG A 58 11.682 2.200 4.516 1.00 0.00 C ATOM 901 C ARG A 58 12.935 1.347 4.442 1.00 0.00 C ATOM 902 O ARG A 58 14.040 1.796 4.748 1.00 0.00 O ATOM 903 CB ARG A 58 11.072 2.081 5.914 1.00 0.00 C ATOM 904 CG ARG A 58 9.932 3.048 6.161 1.00 0.00 C ATOM 905 CD ARG A 58 8.622 2.478 5.663 1.00 0.00 C ATOM 906 NE ARG A 58 7.560 2.569 6.666 1.00 0.00 N ATOM 907 CZ ARG A 58 6.820 1.536 7.074 1.00 0.00 C ATOM 908 NH1 ARG A 58 7.017 0.324 6.564 1.00 0.00 N ATOM 909 NH2 ARG A 58 5.876 1.716 7.990 1.00 0.00 N ATOM 0 H ARG A 58 9.863 1.380 3.857 1.00 0.00 H new ATOM 0 HA ARG A 58 11.940 3.243 4.330 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.712 1.063 6.059 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.851 2.252 6.657 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.857 3.264 7.227 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.136 3.993 5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.315 3.011 4.763 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.765 1.435 5.383 1.00 0.00 H new ATOM 0 HE ARG A 58 7.373 3.482 7.080 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.737 0.179 5.856 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.448 -0.461 6.880 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.716 2.644 8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.311 0.926 8.302 1.00 0.00 H new ATOM 923 N ASP A 59 12.712 0.093 4.121 1.00 0.00 N ATOM 924 CA ASP A 59 13.743 -0.916 4.097 1.00 0.00 C ATOM 925 C ASP A 59 14.641 -0.702 2.885 1.00 0.00 C ATOM 926 O ASP A 59 15.857 -0.860 2.968 1.00 0.00 O ATOM 927 CB ASP A 59 13.092 -2.316 4.078 1.00 0.00 C ATOM 928 CG ASP A 59 11.846 -2.430 4.974 1.00 0.00 C ATOM 929 OD1 ASP A 59 11.041 -1.466 5.038 1.00 0.00 O ATOM 930 OD2 ASP A 59 11.669 -3.470 5.631 1.00 0.00 O ATOM 0 H ASP A 59 11.790 -0.260 3.864 1.00 0.00 H new ATOM 0 HA ASP A 59 14.361 -0.840 4.992 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.816 -2.565 3.053 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.828 -3.054 4.398 1.00 0.00 H new ATOM 935 N TYR A 60 14.052 -0.187 1.810 1.00 0.00 N ATOM 936 CA TYR A 60 14.812 0.207 0.628 1.00 0.00 C ATOM 937 C TYR A 60 15.696 1.401 0.955 1.00 0.00 C ATOM 938 O TYR A 60 16.846 1.476 0.523 1.00 0.00 O ATOM 939 CB TYR A 60 13.857 0.540 -0.539 1.00 0.00 C ATOM 940 CG TYR A 60 14.154 1.828 -1.287 1.00 0.00 C ATOM 941 CD1 TYR A 60 14.993 1.834 -2.393 1.00 0.00 C ATOM 942 CD2 TYR A 60 13.576 3.033 -0.897 1.00 0.00 C ATOM 943 CE1 TYR A 60 15.257 3.001 -3.080 1.00 0.00 C ATOM 944 CE2 TYR A 60 13.833 4.204 -1.584 1.00 0.00 C ATOM 945 CZ TYR A 60 14.675 4.182 -2.674 1.00 0.00 C ATOM 946 OH TYR A 60 14.929 5.341 -3.370 1.00 0.00 O ATOM 0 H TYR A 60 13.047 -0.032 1.733 1.00 0.00 H new ATOM 0 HA TYR A 60 15.447 -0.624 0.322 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.881 -0.285 -1.251 1.00 0.00 H new ATOM 0 HB3 TYR A 60 12.841 0.595 -0.148 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.446 0.910 -2.721 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.915 3.053 -0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 60 15.918 2.989 -3.934 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.377 5.131 -1.268 1.00 0.00 H new ATOM 0 HH TYR A 60 14.442 6.084 -2.957 1.00 0.00 H new ATOM 956 N LEU A 61 15.147 2.338 1.719 1.00 0.00 N ATOM 957 CA LEU A 61 15.862 3.553 2.060 1.00 0.00 C ATOM 958 C LEU A 61 16.974 3.279 3.064 1.00 0.00 C ATOM 959 O LEU A 61 17.887 4.086 3.225 1.00 0.00 O ATOM 960 CB LEU A 61 14.892 4.595 2.605 1.00 0.00 C ATOM 961 CG LEU A 61 14.717 5.820 1.712 1.00 0.00 C ATOM 962 CD1 LEU A 61 13.275 6.297 1.732 1.00 0.00 C ATOM 963 CD2 LEU A 61 15.663 6.926 2.146 1.00 0.00 C ATOM 0 H LEU A 61 14.208 2.276 2.112 1.00 0.00 H new ATOM 0 HA LEU A 61 16.325 3.941 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.919 4.126 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.241 4.921 3.585 1.00 0.00 H new ATOM 0 HG LEU A 61 14.963 5.542 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.172 7.171 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.624 5.502 1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.993 6.561 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 61 15.528 7.794 1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.449 7.204 3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 61 16.692 6.575 2.071 1.00 0.00 H new ATOM 975 N ARG A 62 16.923 2.112 3.687 1.00 0.00 N ATOM 976 CA ARG A 62 17.938 1.717 4.646 1.00 0.00 C ATOM 977 C ARG A 62 19.241 1.351 3.945 1.00 0.00 C ATOM 978 O ARG A 62 20.307 1.363 4.560 1.00 0.00 O ATOM 979 CB ARG A 62 17.445 0.533 5.473 1.00 0.00 C ATOM 980 CG ARG A 62 17.000 0.913 6.876 1.00 0.00 C ATOM 981 CD ARG A 62 18.187 1.087 7.812 1.00 0.00 C ATOM 982 NE ARG A 62 18.686 2.464 7.827 1.00 0.00 N ATOM 983 CZ ARG A 62 18.134 3.458 8.527 1.00 0.00 C ATOM 984 NH1 ARG A 62 17.075 3.235 9.298 1.00 0.00 N ATOM 985 NH2 ARG A 62 18.658 4.674 8.456 1.00 0.00 N ATOM 0 H ARG A 62 16.186 1.421 3.544 1.00 0.00 H new ATOM 0 HA ARG A 62 18.129 2.564 5.305 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.613 0.059 4.953 1.00 0.00 H new ATOM 0 HB3 ARG A 62 18.241 -0.208 5.542 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.427 1.839 6.838 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.336 0.143 7.269 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.896 0.797 8.822 1.00 0.00 H new ATOM 0 HD3 ARG A 62 18.989 0.415 7.506 1.00 0.00 H new ATOM 0 HE ARG A 62 19.510 2.678 7.265 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.677 2.298 9.359 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.660 4.001 9.829 1.00 0.00 H new ATOM 0 HH21 ARG A 62 19.476 4.844 7.870 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.243 5.440 8.987 1.00 0.00 H new ATOM 999 N LEU A 63 19.152 1.000 2.667 1.00 0.00 N ATOM 1000 CA LEU A 63 20.332 0.587 1.917 1.00 0.00 C ATOM 1001 C LEU A 63 20.576 1.478 0.703 1.00 0.00 C ATOM 1002 O LEU A 63 21.709 1.883 0.442 1.00 0.00 O ATOM 1003 CB LEU A 63 20.210 -0.873 1.466 1.00 0.00 C ATOM 1004 CG LEU A 63 18.781 -1.394 1.293 1.00 0.00 C ATOM 1005 CD1 LEU A 63 18.457 -1.575 -0.179 1.00 0.00 C ATOM 1006 CD2 LEU A 63 18.602 -2.701 2.047 1.00 0.00 C ATOM 0 H LEU A 63 18.283 0.993 2.133 1.00 0.00 H new ATOM 0 HA LEU A 63 21.184 0.686 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 63 20.737 -0.987 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 63 20.722 -1.503 2.193 1.00 0.00 H new ATOM 0 HG LEU A 63 18.089 -0.660 1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 63 17.437 -1.946 -0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 63 18.550 -0.618 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 63 19.151 -2.291 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 63 17.581 -3.060 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 63 19.300 -3.443 1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 63 18.796 -2.539 3.107 1.00 0.00 H new ATOM 1018 N GLY A 64 19.537 1.703 -0.093 1.00 0.00 N ATOM 1019 CA GLY A 64 19.711 2.436 -1.330 1.00 0.00 C ATOM 1020 C GLY A 64 18.683 3.520 -1.531 1.00 0.00 C ATOM 1021 O GLY A 64 18.331 3.839 -2.665 1.00 0.00 O ATOM 0 H GLY A 64 18.584 1.393 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.706 2.881 -1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.662 1.739 -2.167 1.00 0.00 H new ATOM 1025 N GLY A 65 18.248 4.135 -0.444 1.00 0.00 N ATOM 1026 CA GLY A 65 17.316 5.238 -0.557 1.00 0.00 C ATOM 1027 C GLY A 65 18.014 6.504 -0.994 1.00 0.00 C ATOM 1028 O GLY A 65 18.131 6.781 -2.188 1.00 0.00 O ATOM 0 H GLY A 65 18.520 3.894 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 65 16.535 4.985 -1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 65 16.826 5.403 0.403 1.00 0.00 H new ATOM 1032 N SER A 66 18.587 7.203 -0.032 1.00 0.00 N ATOM 1033 CA SER A 66 19.399 8.366 -0.320 1.00 0.00 C ATOM 1034 C SER A 66 20.879 7.981 -0.219 1.00 0.00 C ATOM 1035 O SER A 66 21.321 7.049 -0.892 1.00 0.00 O ATOM 1036 CB SER A 66 19.047 9.493 0.650 1.00 0.00 C ATOM 1037 OG SER A 66 18.269 9.001 1.736 1.00 0.00 O ATOM 0 H SER A 66 18.503 6.982 0.960 1.00 0.00 H new ATOM 0 HA SER A 66 19.203 8.723 -1.331 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.961 9.951 1.029 1.00 0.00 H new ATOM 0 HB3 SER A 66 18.494 10.272 0.124 1.00 0.00 H new ATOM 0 HG SER A 66 17.843 9.752 2.200 1.00 0.00 H new ATOM 1043 N GLY A 67 21.619 8.628 0.673 1.00 0.00 N ATOM 1044 CA GLY A 67 23.009 8.264 0.878 1.00 0.00 C ATOM 1045 C GLY A 67 23.256 7.721 2.269 1.00 0.00 C ATOM 1046 O GLY A 67 24.384 7.367 2.618 1.00 0.00 O ATOM 0 H GLY A 67 21.284 9.395 1.256 1.00 0.00 H new ATOM 0 HA2 GLY A 67 23.300 7.516 0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 67 23.640 9.137 0.713 1.00 0.00 H new ATOM 1050 N GLY A 68 22.204 7.691 3.076 1.00 0.00 N ATOM 1051 CA GLY A 68 22.334 7.248 4.447 1.00 0.00 C ATOM 1052 C GLY A 68 23.011 8.292 5.306 1.00 0.00 C ATOM 1053 O GLY A 68 22.545 9.433 5.378 1.00 0.00 O ATOM 0 H GLY A 68 21.261 7.967 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 68 21.347 7.025 4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 68 22.908 6.322 4.478 1.00 0.00 H new ATOM 1057 N HIS A 69 24.147 7.921 5.891 1.00 0.00 N ATOM 1058 CA HIS A 69 24.953 8.834 6.698 1.00 0.00 C ATOM 1059 C HIS A 69 24.165 9.377 7.886 1.00 0.00 C ATOM 1060 O HIS A 69 24.024 8.704 8.910 1.00 0.00 O ATOM 1061 CB HIS A 69 25.477 9.990 5.843 1.00 0.00 C ATOM 1062 CG HIS A 69 26.815 9.727 5.227 1.00 0.00 C ATOM 1063 ND1 HIS A 69 27.964 10.282 5.741 1.00 0.00 N ATOM 1064 CD2 HIS A 69 27.130 8.977 4.144 1.00 0.00 C ATOM 1065 CE1 HIS A 69 28.946 9.859 4.963 1.00 0.00 C ATOM 1066 NE2 HIS A 69 28.489 9.067 3.984 1.00 0.00 N ATOM 0 H HIS A 69 24.535 6.980 5.819 1.00 0.00 H new ATOM 0 HA HIS A 69 25.799 8.267 7.085 1.00 0.00 H new ATOM 0 HB2 HIS A 69 24.758 10.199 5.051 1.00 0.00 H new ATOM 0 HB3 HIS A 69 25.541 10.886 6.460 1.00 0.00 H new ATOM 0 HD2 HIS A 69 26.444 8.417 3.526 1.00 0.00 H new ATOM 0 HE1 HIS A 69 29.985 10.119 5.100 1.00 0.00 H new ATOM 0 HE2 HIS A 69 29.046 8.617 3.258 1.00 0.00 H new ATOM 1074 N MET A 70 23.652 10.593 7.747 1.00 0.00 N ATOM 1075 CA MET A 70 22.894 11.232 8.810 1.00 0.00 C ATOM 1076 C MET A 70 21.440 10.782 8.778 1.00 0.00 C ATOM 1077 O MET A 70 20.727 10.871 9.777 1.00 0.00 O ATOM 1078 CB MET A 70 22.971 12.756 8.677 1.00 0.00 C ATOM 1079 CG MET A 70 24.366 13.267 8.360 1.00 0.00 C ATOM 1080 SD MET A 70 24.469 15.067 8.365 1.00 0.00 S ATOM 1081 CE MET A 70 26.191 15.295 8.803 1.00 0.00 C ATOM 0 H MET A 70 23.749 11.157 6.903 1.00 0.00 H new ATOM 0 HA MET A 70 23.330 10.937 9.764 1.00 0.00 H new ATOM 0 HB2 MET A 70 22.287 13.079 7.892 1.00 0.00 H new ATOM 0 HB3 MET A 70 22.628 13.212 9.606 1.00 0.00 H new ATOM 0 HG2 MET A 70 25.069 12.865 9.089 1.00 0.00 H new ATOM 0 HG3 MET A 70 24.672 12.893 7.383 1.00 0.00 H new ATOM 0 HE1 MET A 70 26.417 16.360 8.848 1.00 0.00 H new ATOM 0 HE2 MET A 70 26.382 14.842 9.776 1.00 0.00 H new ATOM 0 HE3 MET A 70 26.823 14.822 8.052 1.00 0.00 H new ATOM 1091 N GLY A 71 21.008 10.295 7.624 1.00 0.00 N ATOM 1092 CA GLY A 71 19.639 9.852 7.477 1.00 0.00 C ATOM 1093 C GLY A 71 18.725 10.975 7.039 1.00 0.00 C ATOM 1094 O GLY A 71 18.283 11.778 7.859 1.00 0.00 O ATOM 0 H GLY A 71 21.582 10.199 6.787 1.00 0.00 H new ATOM 0 HA2 GLY A 71 19.596 9.044 6.747 1.00 0.00 H new ATOM 0 HA3 GLY A 71 19.286 9.445 8.425 1.00 0.00 H new ATOM 1098 N SER A 72 18.475 11.054 5.742 1.00 0.00 N ATOM 1099 CA SER A 72 17.624 12.092 5.183 1.00 0.00 C ATOM 1100 C SER A 72 16.551 11.481 4.283 1.00 0.00 C ATOM 1101 O SER A 72 16.849 10.699 3.377 1.00 0.00 O ATOM 1102 CB SER A 72 18.470 13.096 4.401 1.00 0.00 C ATOM 1103 OG SER A 72 19.848 12.938 4.705 1.00 0.00 O ATOM 0 H SER A 72 18.853 10.406 5.051 1.00 0.00 H new ATOM 0 HA SER A 72 17.126 12.613 6.000 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.311 12.958 3.332 1.00 0.00 H new ATOM 0 HB3 SER A 72 18.154 14.111 4.642 1.00 0.00 H new ATOM 0 HG SER A 72 20.373 13.589 4.193 1.00 0.00 H new ATOM 1109 N GLY A 73 15.307 11.824 4.556 1.00 0.00 N ATOM 1110 CA GLY A 73 14.198 11.295 3.796 1.00 0.00 C ATOM 1111 C GLY A 73 12.880 11.786 4.342 1.00 0.00 C ATOM 1112 O GLY A 73 12.857 12.552 5.304 1.00 0.00 O ATOM 0 H GLY A 73 15.042 12.468 5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.295 11.591 2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.222 10.206 3.822 1.00 0.00 H new ATOM 1116 N GLY A 74 11.791 11.405 3.701 1.00 0.00 N ATOM 1117 CA GLY A 74 10.486 11.875 4.116 1.00 0.00 C ATOM 1118 C GLY A 74 9.866 12.788 3.083 1.00 0.00 C ATOM 1119 O GLY A 74 10.510 13.126 2.088 1.00 0.00 O ATOM 0 H GLY A 74 11.785 10.777 2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.830 11.022 4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.575 12.405 5.064 1.00 0.00 H new ATOM 1123 N ASP A 75 8.611 13.149 3.287 1.00 0.00 N ATOM 1124 CA ASP A 75 7.896 13.990 2.338 1.00 0.00 C ATOM 1125 C ASP A 75 6.912 14.902 3.057 1.00 0.00 C ATOM 1126 O ASP A 75 6.114 14.448 3.877 1.00 0.00 O ATOM 1127 CB ASP A 75 7.153 13.122 1.323 1.00 0.00 C ATOM 1128 CG ASP A 75 6.377 13.941 0.312 1.00 0.00 C ATOM 1129 OD1 ASP A 75 7.009 14.567 -0.565 1.00 0.00 O ATOM 1130 OD2 ASP A 75 5.130 13.944 0.379 1.00 0.00 O ATOM 0 H ASP A 75 8.064 12.873 4.102 1.00 0.00 H new ATOM 0 HA ASP A 75 8.624 14.610 1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.869 12.489 0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.467 12.459 1.851 1.00 0.00 H new ATOM 1135 N VAL A 76 6.959 16.184 2.732 1.00 0.00 N ATOM 1136 CA VAL A 76 6.030 17.150 3.299 1.00 0.00 C ATOM 1137 C VAL A 76 4.766 17.207 2.454 1.00 0.00 C ATOM 1138 O VAL A 76 4.818 17.574 1.278 1.00 0.00 O ATOM 1139 CB VAL A 76 6.644 18.566 3.382 1.00 0.00 C ATOM 1140 CG1 VAL A 76 5.673 19.535 4.042 1.00 0.00 C ATOM 1141 CG2 VAL A 76 7.966 18.543 4.131 1.00 0.00 C ATOM 0 H VAL A 76 7.632 16.581 2.077 1.00 0.00 H new ATOM 0 HA VAL A 76 5.797 16.821 4.312 1.00 0.00 H new ATOM 0 HB VAL A 76 6.836 18.909 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.125 20.526 4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.754 19.583 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.444 19.191 5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.377 19.552 4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.804 18.172 5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.667 17.888 3.613 1.00 0.00 H new ATOM 1151 N MET A 77 3.656 16.757 3.032 1.00 0.00 N ATOM 1152 CA MET A 77 2.386 16.675 2.322 1.00 0.00 C ATOM 1153 C MET A 77 1.970 18.021 1.731 1.00 0.00 C ATOM 1154 O MET A 77 2.339 19.081 2.248 1.00 0.00 O ATOM 1155 CB MET A 77 1.296 16.164 3.253 1.00 0.00 C ATOM 1156 CG MET A 77 1.162 14.660 3.205 1.00 0.00 C ATOM 1157 SD MET A 77 -0.515 14.109 2.821 1.00 0.00 S ATOM 1158 CE MET A 77 -0.734 12.821 4.046 1.00 0.00 C ATOM 0 H MET A 77 3.612 16.441 4.001 1.00 0.00 H new ATOM 0 HA MET A 77 2.522 15.977 1.496 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.518 16.475 4.274 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.344 16.621 2.980 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.848 14.264 2.457 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.464 14.244 4.166 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.726 12.381 3.938 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.023 12.050 3.902 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.632 13.247 5.044 1.00 0.00 H new ATOM 1168 N VAL A 78 1.189 17.960 0.651 1.00 0.00 N ATOM 1169 CA VAL A 78 0.670 19.147 -0.037 1.00 0.00 C ATOM 1170 C VAL A 78 1.745 19.833 -0.876 1.00 0.00 C ATOM 1171 O VAL A 78 1.574 20.051 -2.076 1.00 0.00 O ATOM 1172 CB VAL A 78 0.040 20.166 0.947 1.00 0.00 C ATOM 1173 CG1 VAL A 78 -0.317 21.465 0.240 1.00 0.00 C ATOM 1174 CG2 VAL A 78 -1.192 19.569 1.608 1.00 0.00 C ATOM 0 H VAL A 78 0.896 17.081 0.225 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.114 18.789 -0.704 1.00 0.00 H new ATOM 0 HB VAL A 78 0.779 20.393 1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.757 22.160 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.584 21.906 -0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.034 21.261 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.624 20.296 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.926 19.312 0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.911 18.671 2.158 1.00 0.00 H new ATOM 1184 N VAL A 79 2.834 20.183 -0.231 1.00 0.00 N ATOM 1185 CA VAL A 79 3.929 20.881 -0.892 1.00 0.00 C ATOM 1186 C VAL A 79 4.753 19.922 -1.744 1.00 0.00 C ATOM 1187 O VAL A 79 5.254 20.291 -2.806 1.00 0.00 O ATOM 1188 CB VAL A 79 4.857 21.582 0.123 1.00 0.00 C ATOM 1189 CG1 VAL A 79 5.656 22.683 -0.560 1.00 0.00 C ATOM 1190 CG2 VAL A 79 4.058 22.148 1.288 1.00 0.00 C ATOM 0 H VAL A 79 2.992 19.997 0.759 1.00 0.00 H new ATOM 0 HA VAL A 79 3.477 21.639 -1.532 1.00 0.00 H new ATOM 0 HB VAL A 79 5.552 20.841 0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.305 23.167 0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.263 22.252 -1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.973 23.419 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.734 22.637 1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.335 22.874 0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.532 21.339 1.795 1.00 0.00 H new ATOM 1200 N GLY A 80 4.894 18.695 -1.271 1.00 0.00 N ATOM 1201 CA GLY A 80 5.674 17.716 -1.992 1.00 0.00 C ATOM 1202 C GLY A 80 7.158 17.960 -1.833 1.00 0.00 C ATOM 1203 O GLY A 80 7.893 18.040 -2.821 1.00 0.00 O ATOM 0 H GLY A 80 4.482 18.360 -0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.428 16.717 -1.632 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.411 17.747 -3.049 1.00 0.00 H new ATOM 1207 N GLU A 81 7.585 18.143 -0.593 1.00 0.00 N ATOM 1208 CA GLU A 81 8.983 18.413 -0.297 1.00 0.00 C ATOM 1209 C GLU A 81 9.640 17.182 0.315 1.00 0.00 C ATOM 1210 O GLU A 81 9.326 16.794 1.440 1.00 0.00 O ATOM 1211 CB GLU A 81 9.106 19.606 0.649 1.00 0.00 C ATOM 1212 CG GLU A 81 8.830 20.938 -0.026 1.00 0.00 C ATOM 1213 CD GLU A 81 9.994 21.896 0.083 1.00 0.00 C ATOM 1214 OE1 GLU A 81 11.102 21.547 -0.366 1.00 0.00 O ATOM 1215 OE2 GLU A 81 9.809 23.005 0.628 1.00 0.00 O ATOM 0 H GLU A 81 6.980 18.109 0.228 1.00 0.00 H new ATOM 0 HA GLU A 81 9.495 18.655 -1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.411 19.476 1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.110 19.623 1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.601 20.768 -1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.947 21.393 0.423 1.00 0.00 H new ATOM 1222 N PRO A 82 10.487 16.497 -0.455 1.00 0.00 N ATOM 1223 CA PRO A 82 11.113 15.253 -0.025 1.00 0.00 C ATOM 1224 C PRO A 82 12.426 15.473 0.719 1.00 0.00 C ATOM 1225 O PRO A 82 12.835 16.616 0.945 1.00 0.00 O ATOM 1226 CB PRO A 82 11.363 14.537 -1.348 1.00 0.00 C ATOM 1227 CG PRO A 82 11.610 15.632 -2.330 1.00 0.00 C ATOM 1228 CD PRO A 82 10.832 16.832 -1.849 1.00 0.00 C ATOM 0 HA PRO A 82 10.491 14.701 0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.219 13.866 -1.280 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.505 13.931 -1.638 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.674 15.861 -2.394 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.287 15.336 -3.328 1.00 0.00 H new ATOM 0 HD2 PRO A 82 11.428 17.743 -1.905 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.940 16.997 -2.453 1.00 0.00 H new ATOM 1236 N THR A 83 13.118 14.369 1.000 1.00 0.00 N ATOM 1237 CA THR A 83 14.445 14.385 1.607 1.00 0.00 C ATOM 1238 C THR A 83 14.555 15.352 2.787 1.00 0.00 C ATOM 1239 O THR A 83 15.353 16.286 2.765 1.00 0.00 O ATOM 1240 CB THR A 83 15.520 14.725 0.555 1.00 0.00 C ATOM 1241 OG1 THR A 83 14.955 14.650 -0.766 1.00 0.00 O ATOM 1242 CG2 THR A 83 16.684 13.756 0.664 1.00 0.00 C ATOM 0 H THR A 83 12.768 13.430 0.810 1.00 0.00 H new ATOM 0 HA THR A 83 14.612 13.381 1.997 1.00 0.00 H new ATOM 0 HB THR A 83 15.879 15.738 0.738 1.00 0.00 H new ATOM 0 HG1 THR A 83 15.643 14.869 -1.429 1.00 0.00 H new ATOM 0 HG21 THR A 83 17.437 14.006 -0.084 1.00 0.00 H new ATOM 0 HG22 THR A 83 17.124 13.826 1.659 1.00 0.00 H new ATOM 0 HG23 THR A 83 16.328 12.740 0.495 1.00 0.00 H new ATOM 1250 N LEU A 84 13.800 15.079 3.839 1.00 0.00 N ATOM 1251 CA LEU A 84 13.865 15.890 5.046 1.00 0.00 C ATOM 1252 C LEU A 84 15.006 15.419 5.942 1.00 0.00 C ATOM 1253 O LEU A 84 15.373 14.240 5.932 1.00 0.00 O ATOM 1254 CB LEU A 84 12.539 15.831 5.804 1.00 0.00 C ATOM 1255 CG LEU A 84 11.431 16.717 5.239 1.00 0.00 C ATOM 1256 CD1 LEU A 84 10.239 15.869 4.823 1.00 0.00 C ATOM 1257 CD2 LEU A 84 11.016 17.765 6.261 1.00 0.00 C ATOM 0 H LEU A 84 13.137 14.305 3.883 1.00 0.00 H new ATOM 0 HA LEU A 84 14.053 16.924 4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.189 14.799 5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.718 16.116 6.841 1.00 0.00 H new ATOM 0 HG LEU A 84 11.811 17.233 4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.456 16.513 4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.549 15.156 4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.856 15.329 5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.226 18.388 5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.650 17.271 7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.874 18.388 6.512 1.00 0.00 H new ATOM 1269 N MET A 85 15.609 16.358 6.658 1.00 0.00 N ATOM 1270 CA MET A 85 16.776 16.069 7.488 1.00 0.00 C ATOM 1271 C MET A 85 16.410 15.231 8.713 1.00 0.00 C ATOM 1272 O MET A 85 17.284 14.649 9.355 1.00 0.00 O ATOM 1273 CB MET A 85 17.448 17.371 7.930 1.00 0.00 C ATOM 1274 CG MET A 85 18.961 17.271 8.034 1.00 0.00 C ATOM 1275 SD MET A 85 19.540 17.302 9.742 1.00 0.00 S ATOM 1276 CE MET A 85 21.021 16.304 9.611 1.00 0.00 C ATOM 0 H MET A 85 15.309 17.333 6.682 1.00 0.00 H new ATOM 0 HA MET A 85 17.471 15.488 6.882 1.00 0.00 H new ATOM 0 HB2 MET A 85 17.192 18.160 7.223 1.00 0.00 H new ATOM 0 HB3 MET A 85 17.045 17.668 8.898 1.00 0.00 H new ATOM 0 HG2 MET A 85 19.294 16.349 7.557 1.00 0.00 H new ATOM 0 HG3 MET A 85 19.415 18.096 7.485 1.00 0.00 H new ATOM 0 HE1 MET A 85 21.496 16.228 10.589 1.00 0.00 H new ATOM 0 HE2 MET A 85 20.758 15.307 9.257 1.00 0.00 H new ATOM 0 HE3 MET A 85 21.712 16.768 8.907 1.00 0.00 H new ATOM 1286 N GLY A 86 15.122 15.169 9.029 1.00 0.00 N ATOM 1287 CA GLY A 86 14.672 14.395 10.171 1.00 0.00 C ATOM 1288 C GLY A 86 14.932 12.910 10.005 1.00 0.00 C ATOM 1289 O GLY A 86 15.124 12.191 10.986 1.00 0.00 O ATOM 0 H GLY A 86 14.380 15.642 8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.177 14.751 11.069 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.605 14.559 10.319 1.00 0.00 H new ATOM 1293 N GLY A 87 14.967 12.455 8.759 1.00 0.00 N ATOM 1294 CA GLY A 87 15.249 11.059 8.486 1.00 0.00 C ATOM 1295 C GLY A 87 14.030 10.180 8.650 1.00 0.00 C ATOM 1296 O GLY A 87 14.127 8.954 8.599 1.00 0.00 O ATOM 0 H GLY A 87 14.805 13.029 7.931 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.630 10.961 7.470 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.036 10.713 9.156 1.00 0.00 H new ATOM 1300 N GLU A 88 12.873 10.801 8.804 1.00 0.00 N ATOM 1301 CA GLU A 88 11.628 10.063 8.929 1.00 0.00 C ATOM 1302 C GLU A 88 10.984 9.898 7.561 1.00 0.00 C ATOM 1303 O GLU A 88 10.165 10.721 7.148 1.00 0.00 O ATOM 1304 CB GLU A 88 10.655 10.771 9.878 1.00 0.00 C ATOM 1305 CG GLU A 88 11.303 11.812 10.777 1.00 0.00 C ATOM 1306 CD GLU A 88 10.320 12.873 11.226 1.00 0.00 C ATOM 1307 OE1 GLU A 88 9.176 12.521 11.580 1.00 0.00 O ATOM 1308 OE2 GLU A 88 10.684 14.067 11.219 1.00 0.00 O ATOM 0 H GLU A 88 12.770 11.815 8.845 1.00 0.00 H new ATOM 0 HA GLU A 88 11.857 9.082 9.346 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.876 11.253 9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.166 10.023 10.502 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.728 11.320 11.652 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.128 12.286 10.245 1.00 0.00 H new ATOM 1315 N PHE A 89 11.386 8.855 6.843 1.00 0.00 N ATOM 1316 CA PHE A 89 10.851 8.609 5.513 1.00 0.00 C ATOM 1317 C PHE A 89 9.423 8.099 5.600 1.00 0.00 C ATOM 1318 O PHE A 89 9.069 7.345 6.510 1.00 0.00 O ATOM 1319 CB PHE A 89 11.701 7.616 4.718 1.00 0.00 C ATOM 1320 CG PHE A 89 13.009 7.249 5.358 1.00 0.00 C ATOM 1321 CD1 PHE A 89 14.093 8.110 5.286 1.00 0.00 C ATOM 1322 CD2 PHE A 89 13.160 6.044 6.021 1.00 0.00 C ATOM 1323 CE1 PHE A 89 15.302 7.776 5.866 1.00 0.00 C ATOM 1324 CE2 PHE A 89 14.364 5.703 6.602 1.00 0.00 C ATOM 1325 CZ PHE A 89 15.438 6.570 6.524 1.00 0.00 C ATOM 0 H PHE A 89 12.075 8.172 7.158 1.00 0.00 H new ATOM 0 HA PHE A 89 10.871 9.562 4.985 1.00 0.00 H new ATOM 0 HB2 PHE A 89 11.121 6.706 4.563 1.00 0.00 H new ATOM 0 HB3 PHE A 89 11.901 8.038 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 89 13.991 9.053 4.770 1.00 0.00 H new ATOM 0 HD2 PHE A 89 12.325 5.362 6.084 1.00 0.00 H new ATOM 0 HE1 PHE A 89 16.138 8.457 5.805 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.467 4.760 7.117 1.00 0.00 H new ATOM 0 HZ PHE A 89 16.382 6.304 6.977 1.00 0.00 H new ATOM 1335 N GLY A 90 8.616 8.526 4.652 1.00 0.00 N ATOM 1336 CA GLY A 90 7.227 8.124 4.594 1.00 0.00 C ATOM 1337 C GLY A 90 6.501 8.833 3.472 1.00 0.00 C ATOM 1338 O GLY A 90 6.311 10.049 3.537 1.00 0.00 O ATOM 0 H GLY A 90 8.902 9.158 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.163 7.046 4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 90 6.741 8.347 5.544 1.00 0.00 H new ATOM 1342 N ASP A 91 6.147 8.110 2.420 1.00 0.00 N ATOM 1343 CA ASP A 91 5.481 8.731 1.278 1.00 0.00 C ATOM 1344 C ASP A 91 3.999 8.972 1.578 1.00 0.00 C ATOM 1345 O ASP A 91 3.629 10.011 2.127 1.00 0.00 O ATOM 1346 CB ASP A 91 5.645 7.887 0.001 1.00 0.00 C ATOM 1347 CG ASP A 91 5.442 6.408 0.228 1.00 0.00 C ATOM 1348 OD1 ASP A 91 4.285 5.947 0.130 1.00 0.00 O ATOM 1349 OD2 ASP A 91 6.434 5.710 0.499 1.00 0.00 O ATOM 0 H ASP A 91 6.306 7.106 2.330 1.00 0.00 H new ATOM 0 HA ASP A 91 5.960 9.694 1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.933 8.233 -0.748 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.642 8.051 -0.408 1.00 0.00 H new ATOM 1354 N GLU A 92 3.161 8.011 1.226 1.00 0.00 N ATOM 1355 CA GLU A 92 1.729 8.100 1.473 1.00 0.00 C ATOM 1356 C GLU A 92 1.263 6.889 2.267 1.00 0.00 C ATOM 1357 O GLU A 92 0.656 7.017 3.331 1.00 0.00 O ATOM 1358 CB GLU A 92 0.962 8.176 0.151 1.00 0.00 C ATOM 1359 CG GLU A 92 1.475 9.251 -0.794 1.00 0.00 C ATOM 1360 CD GLU A 92 0.413 10.268 -1.153 1.00 0.00 C ATOM 1361 OE1 GLU A 92 -0.565 10.411 -0.390 1.00 0.00 O ATOM 1362 OE2 GLU A 92 0.546 10.926 -2.202 1.00 0.00 O ATOM 0 H GLU A 92 3.451 7.150 0.763 1.00 0.00 H new ATOM 0 HA GLU A 92 1.532 9.006 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.020 7.209 -0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.091 8.363 0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.320 9.762 -0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.845 8.781 -1.705 1.00 0.00 H new ATOM 1369 N ASP A 93 1.601 5.714 1.765 1.00 0.00 N ATOM 1370 CA ASP A 93 1.282 4.461 2.439 1.00 0.00 C ATOM 1371 C ASP A 93 2.450 3.504 2.288 1.00 0.00 C ATOM 1372 O ASP A 93 2.267 2.298 2.182 1.00 0.00 O ATOM 1373 CB ASP A 93 0.013 3.836 1.845 1.00 0.00 C ATOM 1374 CG ASP A 93 -0.671 2.873 2.798 1.00 0.00 C ATOM 1375 OD1 ASP A 93 -1.257 3.340 3.798 1.00 0.00 O ATOM 1376 OD2 ASP A 93 -0.638 1.648 2.548 1.00 0.00 O ATOM 0 H ASP A 93 2.102 5.598 0.884 1.00 0.00 H new ATOM 0 HA ASP A 93 1.102 4.660 3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.684 4.629 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.269 3.309 0.926 1.00 0.00 H new ATOM 1381 N GLU A 94 3.631 4.084 2.096 1.00 0.00 N ATOM 1382 CA GLU A 94 4.832 3.337 1.723 1.00 0.00 C ATOM 1383 C GLU A 94 4.582 2.641 0.400 1.00 0.00 C ATOM 1384 O GLU A 94 4.853 1.448 0.232 1.00 0.00 O ATOM 1385 CB GLU A 94 5.244 2.313 2.780 1.00 0.00 C ATOM 1386 CG GLU A 94 5.209 2.817 4.221 1.00 0.00 C ATOM 1387 CD GLU A 94 5.487 4.305 4.364 1.00 0.00 C ATOM 1388 OE1 GLU A 94 6.640 4.727 4.143 1.00 0.00 O ATOM 1389 OE2 GLU A 94 4.553 5.052 4.734 1.00 0.00 O ATOM 0 H GLU A 94 3.784 5.088 2.194 1.00 0.00 H new ATOM 0 HA GLU A 94 5.655 4.047 1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.588 1.447 2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.254 1.970 2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.230 2.598 4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.943 2.263 4.806 1.00 0.00 H new ATOM 1396 N ARG A 95 3.915 3.365 -0.479 1.00 0.00 N ATOM 1397 CA ARG A 95 3.452 2.825 -1.722 1.00 0.00 C ATOM 1398 C ARG A 95 3.140 3.955 -2.688 1.00 0.00 C ATOM 1399 O ARG A 95 2.885 5.084 -2.277 1.00 0.00 O ATOM 1400 CB ARG A 95 2.195 2.005 -1.465 1.00 0.00 C ATOM 1401 CG ARG A 95 2.212 0.627 -2.104 1.00 0.00 C ATOM 1402 CD ARG A 95 2.417 -0.463 -1.062 1.00 0.00 C ATOM 1403 NE ARG A 95 1.643 -0.214 0.156 1.00 0.00 N ATOM 1404 CZ ARG A 95 2.015 -0.613 1.377 1.00 0.00 C ATOM 1405 NH1 ARG A 95 3.157 -1.271 1.552 1.00 0.00 N ATOM 1406 NH2 ARG A 95 1.259 -0.326 2.427 1.00 0.00 N ATOM 0 H ARG A 95 3.683 4.349 -0.340 1.00 0.00 H new ATOM 0 HA ARG A 95 4.223 2.190 -2.159 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.061 1.893 -0.389 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.332 2.556 -1.838 1.00 0.00 H new ATOM 0 HG2 ARG A 95 1.274 0.457 -2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.009 0.578 -2.846 1.00 0.00 H new ATOM 0 HD2 ARG A 95 2.128 -1.426 -1.484 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.476 -0.529 -0.811 1.00 0.00 H new ATOM 0 HE ARG A 95 0.764 0.296 0.067 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.756 -1.475 0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.434 -1.572 2.486 1.00 0.00 H new ATOM 0 HH21 ARG A 95 0.393 0.199 2.304 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.543 -0.630 3.358 1.00 0.00 H new ATOM 1420 N LEU A 96 3.031 3.612 -3.957 1.00 0.00 N ATOM 1421 CA LEU A 96 2.624 4.560 -4.982 1.00 0.00 C ATOM 1422 C LEU A 96 1.092 4.565 -5.081 1.00 0.00 C ATOM 1423 O LEU A 96 0.498 4.971 -6.079 1.00 0.00 O ATOM 1424 CB LEU A 96 3.302 4.167 -6.303 1.00 0.00 C ATOM 1425 CG LEU A 96 2.476 3.314 -7.263 1.00 0.00 C ATOM 1426 CD1 LEU A 96 2.101 4.134 -8.483 1.00 0.00 C ATOM 1427 CD2 LEU A 96 3.250 2.072 -7.665 1.00 0.00 C ATOM 0 H LEU A 96 3.221 2.673 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 96 2.935 5.575 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.594 5.080 -6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.219 3.627 -6.069 1.00 0.00 H new ATOM 0 HG LEU A 96 1.562 2.995 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.512 3.522 -9.166 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.515 4.999 -8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.007 4.471 -8.987 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.648 1.474 -8.349 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.177 2.365 -8.158 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.481 1.484 -6.777 1.00 0.00 H new ATOM 1439 N ILE A 97 0.467 4.089 -4.015 1.00 0.00 N ATOM 1440 CA ILE A 97 -0.972 3.924 -3.956 1.00 0.00 C ATOM 1441 C ILE A 97 -1.608 4.883 -2.952 1.00 0.00 C ATOM 1442 O ILE A 97 -0.940 5.399 -2.054 1.00 0.00 O ATOM 1443 CB ILE A 97 -1.314 2.474 -3.550 1.00 0.00 C ATOM 1444 CG1 ILE A 97 -0.451 1.484 -4.330 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -2.780 2.172 -3.769 1.00 0.00 C ATOM 1446 CD1 ILE A 97 -0.921 0.052 -4.213 1.00 0.00 C ATOM 0 H ILE A 97 0.950 3.805 -3.162 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.371 4.146 -4.946 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.102 2.368 -2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.443 1.771 -5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.577 1.551 -3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.988 1.144 -3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.385 2.851 -3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -3.025 2.303 -4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.262 -0.596 -4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.902 -0.253 -3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.938 -0.030 -4.596 1.00 0.00 H new ATOM 1458 N THR A 98 -2.921 4.997 -3.038 1.00 0.00 N ATOM 1459 CA THR A 98 -3.704 5.746 -2.087 1.00 0.00 C ATOM 1460 C THR A 98 -4.662 4.800 -1.373 1.00 0.00 C ATOM 1461 O THR A 98 -5.054 3.765 -1.926 1.00 0.00 O ATOM 1462 CB THR A 98 -4.495 6.869 -2.794 1.00 0.00 C ATOM 1463 OG1 THR A 98 -4.900 7.867 -1.847 1.00 0.00 O ATOM 1464 CG2 THR A 98 -5.716 6.320 -3.520 1.00 0.00 C ATOM 0 H THR A 98 -3.474 4.566 -3.779 1.00 0.00 H new ATOM 0 HA THR A 98 -3.035 6.209 -1.361 1.00 0.00 H new ATOM 0 HB THR A 98 -3.835 7.321 -3.534 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.399 8.573 -2.309 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.249 7.138 -4.006 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.398 5.597 -4.271 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.377 5.832 -2.803 1.00 0.00 H new ATOM 1472 N ARG A 99 -5.025 5.139 -0.151 1.00 0.00 N ATOM 1473 CA ARG A 99 -5.961 4.331 0.605 1.00 0.00 C ATOM 1474 C ARG A 99 -7.382 4.664 0.172 1.00 0.00 C ATOM 1475 O ARG A 99 -7.854 5.778 0.384 1.00 0.00 O ATOM 1476 CB ARG A 99 -5.793 4.585 2.103 1.00 0.00 C ATOM 1477 CG ARG A 99 -4.442 4.163 2.651 1.00 0.00 C ATOM 1478 CD ARG A 99 -4.312 2.650 2.727 1.00 0.00 C ATOM 1479 NE ARG A 99 -5.012 2.087 3.882 1.00 0.00 N ATOM 1480 CZ ARG A 99 -4.453 1.878 5.073 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -3.175 2.172 5.289 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -5.182 1.359 6.048 1.00 0.00 N ATOM 0 H ARG A 99 -4.686 5.967 0.339 1.00 0.00 H new ATOM 0 HA ARG A 99 -5.762 3.277 0.411 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.938 5.647 2.300 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.576 4.051 2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -3.651 4.565 2.017 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.303 4.590 3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -4.710 2.208 1.814 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -3.257 2.381 2.778 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.994 1.838 3.767 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.608 2.564 4.537 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.762 2.006 6.207 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.161 1.124 5.883 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.765 1.194 6.964 1.00 0.00 H new ATOM 1496 N LEU A 100 -8.020 3.735 -0.521 1.00 0.00 N ATOM 1497 CA LEU A 100 -9.351 3.969 -1.056 1.00 0.00 C ATOM 1498 C LEU A 100 -10.395 3.167 -0.301 1.00 0.00 C ATOM 1499 O LEU A 100 -10.069 2.318 0.526 1.00 0.00 O ATOM 1500 CB LEU A 100 -9.402 3.594 -2.534 1.00 0.00 C ATOM 1501 CG LEU A 100 -10.275 4.494 -3.404 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -9.406 5.420 -4.241 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -11.180 3.654 -4.290 1.00 0.00 C ATOM 0 H LEU A 100 -7.638 2.812 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.572 5.030 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.387 3.607 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.765 2.570 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.904 5.106 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.041 6.057 -4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.798 6.041 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.755 4.826 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.797 4.309 -4.905 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.571 3.019 -4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.822 3.030 -3.667 1.00 0.00 H new ATOM 1515 N GLU A 101 -11.640 3.375 -0.674 1.00 0.00 N ATOM 1516 CA GLU A 101 -12.755 2.630 -0.106 1.00 0.00 C ATOM 1517 C GLU A 101 -13.156 1.505 -1.047 1.00 0.00 C ATOM 1518 O GLU A 101 -13.309 1.716 -2.252 1.00 0.00 O ATOM 1519 CB GLU A 101 -13.948 3.554 0.149 1.00 0.00 C ATOM 1520 CG GLU A 101 -13.574 5.024 0.222 1.00 0.00 C ATOM 1521 CD GLU A 101 -14.779 5.938 0.235 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -15.429 6.063 1.293 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -15.076 6.545 -0.816 1.00 0.00 O ATOM 0 H GLU A 101 -11.912 4.062 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.441 2.205 0.847 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -14.682 3.413 -0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.429 3.263 1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.982 5.199 1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.942 5.276 -0.630 1.00 0.00 H new ATOM 1530 N ASN A 102 -13.271 0.304 -0.503 1.00 0.00 N ATOM 1531 CA ASN A 102 -13.603 -0.871 -1.297 1.00 0.00 C ATOM 1532 C ASN A 102 -15.088 -0.891 -1.632 1.00 0.00 C ATOM 1533 O ASN A 102 -15.507 -0.348 -2.653 1.00 0.00 O ATOM 1534 CB ASN A 102 -13.208 -2.143 -0.549 1.00 0.00 C ATOM 1535 CG ASN A 102 -13.380 -3.391 -1.392 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -12.672 -3.587 -2.371 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -14.316 -4.248 -1.013 1.00 0.00 N ATOM 0 H ASN A 102 -13.139 0.116 0.491 1.00 0.00 H new ATOM 0 HA ASN A 102 -13.043 -0.826 -2.231 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.169 -2.065 -0.230 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.813 -2.232 0.353 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -14.466 -5.106 -1.543 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.886 -4.050 -0.191 1.00 0.00 H new ATOM 1544 N THR A 103 -15.888 -1.470 -0.748 1.00 0.00 N ATOM 1545 CA THR A 103 -17.326 -1.494 -0.939 1.00 0.00 C ATOM 1546 C THR A 103 -17.922 -0.144 -0.562 1.00 0.00 C ATOM 1547 O THR A 103 -18.064 0.741 -1.410 1.00 0.00 O ATOM 1548 CB THR A 103 -17.978 -2.609 -0.102 1.00 0.00 C ATOM 1549 OG1 THR A 103 -17.086 -3.727 -0.018 1.00 0.00 O ATOM 1550 CG2 THR A 103 -19.300 -3.047 -0.713 1.00 0.00 C ATOM 0 H THR A 103 -15.565 -1.927 0.105 1.00 0.00 H new ATOM 0 HA THR A 103 -17.527 -1.697 -1.991 1.00 0.00 H new ATOM 0 HB THR A 103 -18.177 -2.222 0.897 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.500 -4.437 0.516 1.00 0.00 H new ATOM 0 HG21 THR A 103 -19.740 -3.836 -0.102 1.00 0.00 H new ATOM 0 HG22 THR A 103 -19.981 -2.197 -0.754 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.128 -3.423 -1.722 1.00 0.00 H new ATOM 1558 N GLN A 104 -18.123 0.063 0.733 1.00 0.00 N ATOM 1559 CA GLN A 104 -18.567 1.355 1.232 1.00 0.00 C ATOM 1560 C GLN A 104 -18.154 1.523 2.686 1.00 0.00 C ATOM 1561 O GLN A 104 -17.296 2.343 3.008 1.00 0.00 O ATOM 1562 CB GLN A 104 -20.091 1.519 1.095 1.00 0.00 C ATOM 1563 CG GLN A 104 -20.867 0.210 1.027 1.00 0.00 C ATOM 1564 CD GLN A 104 -21.953 0.231 -0.033 1.00 0.00 C ATOM 1565 OE1 GLN A 104 -21.669 0.368 -1.221 1.00 0.00 O ATOM 1566 NE2 GLN A 104 -23.200 0.093 0.391 1.00 0.00 N ATOM 0 H GLN A 104 -17.986 -0.646 1.454 1.00 0.00 H new ATOM 0 HA GLN A 104 -18.091 2.128 0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -20.458 2.100 1.941 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -20.301 2.098 0.196 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -20.177 -0.607 0.819 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -21.317 0.007 1.999 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -23.391 -0.018 1.387 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -23.970 0.098 -0.278 1.00 0.00 H new ATOM 1575 N PHE A 105 -18.760 0.723 3.551 1.00 0.00 N ATOM 1576 CA PHE A 105 -18.512 0.761 4.966 1.00 0.00 C ATOM 1577 C PHE A 105 -19.329 -0.339 5.610 1.00 0.00 C ATOM 1578 O PHE A 105 -20.516 -0.482 5.320 1.00 0.00 O ATOM 1579 CB PHE A 105 -18.926 2.115 5.542 1.00 0.00 C ATOM 1580 CG PHE A 105 -17.850 2.834 6.314 1.00 0.00 C ATOM 1581 CD1 PHE A 105 -16.563 2.320 6.419 1.00 0.00 C ATOM 1582 CD2 PHE A 105 -18.132 4.041 6.931 1.00 0.00 C ATOM 1583 CE1 PHE A 105 -15.587 3.002 7.122 1.00 0.00 C ATOM 1584 CE2 PHE A 105 -17.161 4.723 7.635 1.00 0.00 C ATOM 1585 CZ PHE A 105 -15.887 4.203 7.732 1.00 0.00 C ATOM 0 H PHE A 105 -19.447 0.022 3.275 1.00 0.00 H new ATOM 0 HA PHE A 105 -17.450 0.617 5.163 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -19.255 2.756 4.724 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -19.785 1.967 6.197 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -16.323 1.379 5.947 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -19.127 4.455 6.860 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -14.589 2.595 7.194 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -17.398 5.664 8.110 1.00 0.00 H new ATOM 0 HZ PHE A 105 -15.126 4.735 8.284 1.00 0.00 H new ATOM 1595 N ASP A 106 -18.683 -1.166 6.401 1.00 0.00 N ATOM 1596 CA ASP A 106 -19.363 -2.278 7.056 1.00 0.00 C ATOM 1597 C ASP A 106 -20.483 -1.747 7.934 1.00 0.00 C ATOM 1598 O ASP A 106 -21.621 -2.203 7.850 1.00 0.00 O ATOM 1599 CB ASP A 106 -18.392 -3.102 7.894 1.00 0.00 C ATOM 1600 CG ASP A 106 -18.362 -4.553 7.465 1.00 0.00 C ATOM 1601 OD1 ASP A 106 -19.441 -5.150 7.280 1.00 0.00 O ATOM 1602 OD2 ASP A 106 -17.258 -5.110 7.306 1.00 0.00 O ATOM 0 H ASP A 106 -17.687 -1.096 6.611 1.00 0.00 H new ATOM 0 HA ASP A 106 -19.778 -2.927 6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -17.391 -2.678 7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -18.677 -3.040 8.944 1.00 0.00 H new ATOM 1607 N ALA A 107 -20.189 -0.669 8.640 1.00 0.00 N ATOM 1608 CA ALA A 107 -21.202 0.039 9.406 1.00 0.00 C ATOM 1609 C ALA A 107 -21.782 1.182 8.582 1.00 0.00 C ATOM 1610 O ALA A 107 -21.680 2.353 8.954 1.00 0.00 O ATOM 1611 CB ALA A 107 -20.623 0.558 10.712 1.00 0.00 C ATOM 0 H ALA A 107 -19.255 -0.263 8.699 1.00 0.00 H new ATOM 0 HA ALA A 107 -22.005 -0.658 9.646 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -21.398 1.085 11.270 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -20.255 -0.279 11.305 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -19.801 1.241 10.499 1.00 0.00 H new ATOM 1617 N ALA A 108 -22.342 0.837 7.431 1.00 0.00 N ATOM 1618 CA ALA A 108 -22.903 1.826 6.515 1.00 0.00 C ATOM 1619 C ALA A 108 -24.191 2.424 7.066 1.00 0.00 C ATOM 1620 O ALA A 108 -24.663 3.457 6.585 1.00 0.00 O ATOM 1621 CB ALA A 108 -23.158 1.204 5.152 1.00 0.00 C ATOM 0 H ALA A 108 -22.421 -0.127 7.106 1.00 0.00 H new ATOM 0 HA ALA A 108 -22.174 2.630 6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -23.576 1.955 4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -22.220 0.832 4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -23.861 0.378 5.255 1.00 0.00 H new ATOM 1627 N ASN A 109 -24.755 1.770 8.074 1.00 0.00 N ATOM 1628 CA ASN A 109 -25.988 2.235 8.698 1.00 0.00 C ATOM 1629 C ASN A 109 -25.768 3.578 9.386 1.00 0.00 C ATOM 1630 O ASN A 109 -26.641 4.449 9.360 1.00 0.00 O ATOM 1631 CB ASN A 109 -26.492 1.210 9.712 1.00 0.00 C ATOM 1632 CG ASN A 109 -27.963 1.388 10.028 1.00 0.00 C ATOM 1633 OD1 ASN A 109 -28.814 1.297 9.144 1.00 0.00 O ATOM 1634 ND2 ASN A 109 -28.275 1.631 11.291 1.00 0.00 N ATOM 0 H ASN A 109 -24.377 0.913 8.478 1.00 0.00 H new ATOM 0 HA ASN A 109 -26.738 2.359 7.917 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -26.325 0.205 9.323 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -25.912 1.296 10.631 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -29.251 1.750 11.561 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -27.539 1.699 11.994 1.00 0.00 H new ATOM 1641 N GLY A 110 -24.579 3.757 9.948 1.00 0.00 N ATOM 1642 CA GLY A 110 -24.234 5.015 10.582 1.00 0.00 C ATOM 1643 C GLY A 110 -23.364 5.873 9.689 1.00 0.00 C ATOM 1644 O GLY A 110 -23.466 5.804 8.465 1.00 0.00 O ATOM 0 H GLY A 110 -23.844 3.050 9.976 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -25.145 5.558 10.832 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -23.712 4.819 11.519 1.00 0.00 H new ATOM 1648 N ILE A 111 -22.470 6.643 10.289 1.00 0.00 N ATOM 1649 CA ILE A 111 -21.553 7.478 9.524 1.00 0.00 C ATOM 1650 C ILE A 111 -20.134 6.943 9.631 1.00 0.00 C ATOM 1651 O ILE A 111 -19.401 6.885 8.643 1.00 0.00 O ATOM 1652 CB ILE A 111 -21.583 8.950 9.989 1.00 0.00 C ATOM 1653 CG1 ILE A 111 -22.990 9.346 10.436 1.00 0.00 C ATOM 1654 CG2 ILE A 111 -21.103 9.870 8.874 1.00 0.00 C ATOM 1655 CD1 ILE A 111 -23.042 9.889 11.844 1.00 0.00 C ATOM 0 H ILE A 111 -22.359 6.708 11.301 1.00 0.00 H new ATOM 0 HA ILE A 111 -21.883 7.445 8.486 1.00 0.00 H new ATOM 0 HB ILE A 111 -20.910 9.054 10.840 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -23.383 10.097 9.750 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -23.644 8.477 10.366 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -21.130 10.904 9.218 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -20.082 9.606 8.599 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -21.753 9.759 8.006 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -24.070 10.150 12.096 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -22.679 9.132 12.539 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -22.415 10.777 11.915 1.00 0.00 H new ATOM 1667 N ASP A 112 -19.787 6.473 10.816 1.00 0.00 N ATOM 1668 CA ASP A 112 -18.489 5.852 11.051 1.00 0.00 C ATOM 1669 C ASP A 112 -18.651 4.346 11.180 1.00 0.00 C ATOM 1670 O ASP A 112 -19.760 3.855 11.409 1.00 0.00 O ATOM 1671 CB ASP A 112 -17.841 6.413 12.318 1.00 0.00 C ATOM 1672 CG ASP A 112 -16.331 6.260 12.324 1.00 0.00 C ATOM 1673 OD1 ASP A 112 -15.641 7.114 11.730 1.00 0.00 O ATOM 1674 OD2 ASP A 112 -15.827 5.290 12.931 1.00 0.00 O ATOM 0 H ASP A 112 -20.389 6.509 11.639 1.00 0.00 H new ATOM 0 HA ASP A 112 -17.842 6.075 10.203 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -18.095 7.469 12.413 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -18.256 5.905 13.188 1.00 0.00 H new ATOM 1679 N ASP A 113 -17.559 3.613 11.034 1.00 0.00 N ATOM 1680 CA ASP A 113 -17.608 2.164 11.132 1.00 0.00 C ATOM 1681 C ASP A 113 -17.502 1.715 12.583 1.00 0.00 C ATOM 1682 O ASP A 113 -16.412 1.648 13.153 1.00 0.00 O ATOM 1683 CB ASP A 113 -16.504 1.519 10.296 1.00 0.00 C ATOM 1684 CG ASP A 113 -16.887 0.131 9.828 1.00 0.00 C ATOM 1685 OD1 ASP A 113 -17.187 -0.728 10.684 1.00 0.00 O ATOM 1686 OD2 ASP A 113 -16.894 -0.108 8.602 1.00 0.00 O ATOM 0 H ASP A 113 -16.632 3.996 10.848 1.00 0.00 H new ATOM 0 HA ASP A 113 -18.570 1.838 10.738 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -16.290 2.147 9.431 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.588 1.464 10.885 1.00 0.00 H new ATOM 1691 N GLU A 114 -18.648 1.408 13.167 1.00 0.00 N ATOM 1692 CA GLU A 114 -18.719 0.929 14.533 1.00 0.00 C ATOM 1693 C GLU A 114 -19.445 -0.409 14.558 1.00 0.00 C ATOM 1694 O GLU A 114 -18.778 -1.448 14.374 1.00 0.00 O ATOM 1695 CB GLU A 114 -19.443 1.951 15.417 1.00 0.00 C ATOM 1696 CG GLU A 114 -19.156 1.796 16.904 1.00 0.00 C ATOM 1697 CD GLU A 114 -20.413 1.844 17.750 1.00 0.00 C ATOM 1698 OE1 GLU A 114 -21.377 2.539 17.361 1.00 0.00 O ATOM 1699 OE2 GLU A 114 -20.451 1.179 18.805 1.00 0.00 O ATOM 1700 OXT GLU A 114 -20.684 -0.415 14.719 1.00 0.00 O ATOM 0 H GLU A 114 -19.554 1.485 12.706 1.00 0.00 H new ATOM 0 HA GLU A 114 -17.710 0.796 14.925 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -19.155 2.955 15.105 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -20.517 1.862 15.253 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -18.644 0.849 17.074 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -18.477 2.587 17.223 1.00 0.00 H new TER 1707 GLU A 114 HETATM 1708 ZN ZN A 115 -5.132 -9.507 -0.582 1.00 0.00 ZN HETATM 1709 ZN ZN A 116 10.857 -5.057 4.697 1.00 0.00 ZN