USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 HIS : no HD1:sc= -0.525 K(o=-0.51,f=-1.1) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0.0152 USER MOD Set 2.1: A 74 ASN : amide:sc= -3.89! C(o=-3.9!,f=-6.5!) USER MOD Set 2.2: A 77 ASN : amide:sc= 0 X(o=-3.9,f=-4.2) USER MOD Set 3.1: A 46 ASN : amide:sc= -1.09 K(o=-0.19,f=1) USER MOD Set 3.2: A 50 SER OG : rot -111:sc= 0.899 USER MOD Set 4.1: A 24 SER OG : rot 180:sc= 0.137 USER MOD Set 4.2: A 27 ASN : amide:sc= -1.4 X(o=-1.3,f=-1.1) USER MOD Single : A 1 LYS N :NH3+ -123:sc= -1.88 (180deg=-4.13!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -149:sc= -11.4! (180deg=-13.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.0047) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 141:sc= 0.345 (180deg=-0.0149) USER MOD Single : A 36 SER OG : rot 27:sc= -3.46! USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -4.62! C(o=-4.6!,f=-5.7!) USER MOD Single : A 40 THR OG1 : rot -120:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -35:sc= 0.341 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.76! K(o=-2.8!,f=-0.9) USER MOD Single : A 59 ASN : amide:sc= -4.05! C(o=-4!,f=-9.4!) USER MOD Single : A 60 SER OG : rot -117:sc= 1 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 76:sc= 0.194 USER MOD Single : A 72 SER OG : rot 144:sc= 0.683 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -170:sc= -0.468 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.721 K(o=-0.72,f=-0.1) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.0459 X(o=-0.046,f=-0.046) USER MOD Single : A 105 MET CE :methyl -156:sc= -1.16 (180deg=-3.45) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 116 LYS NZ :NH3+ 170:sc= -0.0133 (180deg=-0.161) USER MOD Single : A 118 THR OG1 : rot -51:sc= 0.162 USER MOD Single : A 121 GLN : amide:sc= -0.0122 X(o=-0.012,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.568 -9.296 0.535 1.00 0.00 N ATOM 2 CA LYS A 1 -6.283 -10.019 0.343 1.00 0.00 C ATOM 3 C LYS A 1 -5.095 -9.071 0.464 1.00 0.00 C ATOM 4 O LYS A 1 -5.040 -8.040 -0.206 1.00 0.00 O ATOM 5 CB LYS A 1 -6.296 -10.676 -1.038 1.00 0.00 C ATOM 6 CG LYS A 1 -5.413 -11.910 -1.134 1.00 0.00 C ATOM 7 CD LYS A 1 -6.224 -13.187 -0.992 1.00 0.00 C ATOM 8 CE LYS A 1 -6.598 -13.763 -2.349 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.130 -15.150 -2.236 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.099 -9.733 1.315 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.375 -8.300 0.762 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.130 -9.349 -0.338 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.178 -10.777 1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.320 -10.952 -1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.970 -9.948 -1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.893 -11.913 -2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.650 -11.874 -0.357 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.650 -13.923 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.129 -12.983 -0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.345 -13.125 -2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.722 -13.762 -2.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.373 -15.507 -3.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.408 -15.765 -1.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.981 -15.148 -1.638 1.00 0.00 H new ATOM 25 N VAL A 2 -4.145 -9.429 1.322 1.00 0.00 N ATOM 26 CA VAL A 2 -2.957 -8.609 1.532 1.00 0.00 C ATOM 27 C VAL A 2 -1.701 -9.324 1.046 1.00 0.00 C ATOM 28 O VAL A 2 -1.405 -10.437 1.484 1.00 0.00 O ATOM 29 CB VAL A 2 -2.776 -8.242 3.020 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.460 -7.514 3.242 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.933 -7.389 3.508 1.00 0.00 C ATOM 0 H VAL A 2 -4.175 -10.281 1.883 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.103 -7.696 0.955 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.760 -9.169 3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.355 -7.266 4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.633 -8.155 2.936 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.447 -6.598 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.785 -7.142 4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.980 -6.471 2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.866 -7.941 3.393 1.00 0.00 H new ATOM 41 N PHE A 3 -0.949 -8.675 0.158 1.00 0.00 N ATOM 42 CA PHE A 3 0.286 -9.254 -0.355 1.00 0.00 C ATOM 43 C PHE A 3 1.353 -9.273 0.731 1.00 0.00 C ATOM 44 O PHE A 3 1.118 -8.838 1.858 1.00 0.00 O ATOM 45 CB PHE A 3 0.819 -8.445 -1.540 1.00 0.00 C ATOM 46 CG PHE A 3 -0.075 -8.415 -2.745 1.00 0.00 C ATOM 47 CD1 PHE A 3 -1.130 -9.302 -2.887 1.00 0.00 C ATOM 48 CD2 PHE A 3 0.156 -7.490 -3.746 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.936 -9.263 -4.008 1.00 0.00 C ATOM 50 CE2 PHE A 3 -0.644 -7.445 -4.865 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.691 -8.331 -5.000 1.00 0.00 C ATOM 0 H PHE A 3 -1.174 -7.754 -0.218 1.00 0.00 H new ATOM 0 HA PHE A 3 0.062 -10.270 -0.679 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.994 -7.421 -1.211 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.785 -8.855 -1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -1.324 -10.031 -2.114 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.975 -6.793 -3.649 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.756 -9.959 -4.110 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.451 -6.715 -5.637 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.319 -8.298 -5.878 1.00 0.00 H new ATOM 61 N GLY A 4 2.534 -9.759 0.372 1.00 0.00 N ATOM 62 CA GLY A 4 3.636 -9.804 1.310 1.00 0.00 C ATOM 63 C GLY A 4 4.648 -8.712 1.026 1.00 0.00 C ATOM 64 O GLY A 4 4.286 -7.637 0.547 1.00 0.00 O ATOM 0 H GLY A 4 2.748 -10.124 -0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.256 -9.695 2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.123 -10.777 1.255 1.00 0.00 H new ATOM 68 N ARG A 5 5.916 -8.983 1.310 1.00 0.00 N ATOM 69 CA ARG A 5 6.969 -8.004 1.069 1.00 0.00 C ATOM 70 C ARG A 5 7.560 -8.167 -0.322 1.00 0.00 C ATOM 71 O ARG A 5 7.512 -7.245 -1.136 1.00 0.00 O ATOM 72 CB ARG A 5 8.067 -8.118 2.128 1.00 0.00 C ATOM 73 CG ARG A 5 8.391 -9.551 2.522 1.00 0.00 C ATOM 74 CD ARG A 5 9.617 -9.618 3.418 1.00 0.00 C ATOM 75 NE ARG A 5 9.355 -9.066 4.745 1.00 0.00 N ATOM 76 CZ ARG A 5 10.269 -8.430 5.472 1.00 0.00 C ATOM 77 NH1 ARG A 5 11.499 -8.265 5.003 1.00 0.00 N ATOM 78 NH2 ARG A 5 9.953 -7.956 6.670 1.00 0.00 N ATOM 0 H ARG A 5 6.239 -9.866 1.705 1.00 0.00 H new ATOM 0 HA ARG A 5 6.522 -7.012 1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.972 -7.640 1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.761 -7.567 3.017 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.537 -9.990 3.038 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.561 -10.147 1.625 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.940 -10.655 3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.437 -9.070 2.953 1.00 0.00 H new ATOM 0 HE ARG A 5 8.419 -9.174 5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.746 -8.626 4.082 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.197 -7.777 5.564 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.008 -8.079 7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.655 -7.468 7.227 1.00 0.00 H new ATOM 92 N CYS A 6 8.120 -9.338 -0.597 1.00 0.00 N ATOM 93 CA CYS A 6 8.714 -9.591 -1.898 1.00 0.00 C ATOM 94 C CYS A 6 7.663 -9.994 -2.916 1.00 0.00 C ATOM 95 O CYS A 6 7.726 -9.577 -4.064 1.00 0.00 O ATOM 96 CB CYS A 6 9.787 -10.664 -1.813 1.00 0.00 C ATOM 97 SG CYS A 6 10.910 -10.488 -0.391 1.00 0.00 S ATOM 0 H CYS A 6 8.174 -10.119 0.057 1.00 0.00 H new ATOM 0 HA CYS A 6 9.176 -8.660 -2.226 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.305 -11.640 -1.762 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.375 -10.647 -2.730 1.00 0.00 H new ATOM 102 N GLU A 7 6.691 -10.798 -2.495 1.00 0.00 N ATOM 103 CA GLU A 7 5.631 -11.224 -3.402 1.00 0.00 C ATOM 104 C GLU A 7 5.147 -10.023 -4.205 1.00 0.00 C ATOM 105 O GLU A 7 5.099 -10.049 -5.439 1.00 0.00 O ATOM 106 CB GLU A 7 4.468 -11.840 -2.620 1.00 0.00 C ATOM 107 CG GLU A 7 4.642 -13.325 -2.344 1.00 0.00 C ATOM 108 CD GLU A 7 3.429 -14.139 -2.751 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.431 -14.133 -2.000 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.478 -14.782 -3.821 1.00 0.00 O ATOM 0 H GLU A 7 6.615 -11.163 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 7 6.023 -11.982 -4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.358 -11.313 -1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.544 -11.688 -3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.517 -13.691 -2.881 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.835 -13.473 -1.282 1.00 0.00 H new ATOM 117 N LEU A 8 4.825 -8.957 -3.484 1.00 0.00 N ATOM 118 CA LEU A 8 4.375 -7.725 -4.102 1.00 0.00 C ATOM 119 C LEU A 8 5.508 -7.073 -4.890 1.00 0.00 C ATOM 120 O LEU A 8 5.276 -6.541 -5.971 1.00 0.00 O ATOM 121 CB LEU A 8 3.845 -6.758 -3.036 1.00 0.00 C ATOM 122 CG LEU A 8 3.283 -5.423 -3.552 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.374 -4.364 -3.596 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.643 -5.583 -4.926 1.00 0.00 C ATOM 0 H LEU A 8 4.869 -8.925 -2.465 1.00 0.00 H new ATOM 0 HA LEU A 8 3.567 -7.963 -4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.062 -7.265 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.653 -6.543 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 8 2.508 -5.099 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.957 -3.427 -3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.776 -4.214 -2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.172 -4.692 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.256 -4.621 -5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.389 -5.941 -5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.826 -6.302 -4.865 1.00 0.00 H new ATOM 136 N ALA A 9 6.736 -7.123 -4.354 1.00 0.00 N ATOM 137 CA ALA A 9 7.881 -6.523 -5.037 1.00 0.00 C ATOM 138 C ALA A 9 8.139 -7.193 -6.378 1.00 0.00 C ATOM 139 O ALA A 9 8.214 -6.523 -7.404 1.00 0.00 O ATOM 140 CB ALA A 9 9.122 -6.574 -4.168 1.00 0.00 C ATOM 0 H ALA A 9 6.956 -7.567 -3.462 1.00 0.00 H new ATOM 0 HA ALA A 9 7.638 -5.477 -5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.958 -6.121 -4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.941 -6.026 -3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.360 -7.612 -3.934 1.00 0.00 H new ATOM 146 N ALA A 10 8.267 -8.516 -6.372 1.00 0.00 N ATOM 147 CA ALA A 10 8.498 -9.257 -7.600 1.00 0.00 C ATOM 148 C ALA A 10 7.477 -8.835 -8.641 1.00 0.00 C ATOM 149 O ALA A 10 7.798 -8.689 -9.821 1.00 0.00 O ATOM 150 CB ALA A 10 8.418 -10.754 -7.345 1.00 0.00 C ATOM 0 H ALA A 10 8.214 -9.092 -5.532 1.00 0.00 H new ATOM 0 HA ALA A 10 9.499 -9.035 -7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.594 -11.292 -8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.174 -11.039 -6.613 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.429 -11.005 -6.962 1.00 0.00 H new ATOM 156 N ALA A 11 6.243 -8.618 -8.188 1.00 0.00 N ATOM 157 CA ALA A 11 5.181 -8.185 -9.080 1.00 0.00 C ATOM 158 C ALA A 11 5.503 -6.821 -9.654 1.00 0.00 C ATOM 159 O ALA A 11 5.203 -6.521 -10.809 1.00 0.00 O ATOM 160 CB ALA A 11 3.842 -8.171 -8.359 1.00 0.00 C ATOM 0 H ALA A 11 5.960 -8.735 -7.215 1.00 0.00 H new ATOM 0 HA ALA A 11 5.108 -8.896 -9.903 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.062 -7.844 -9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.612 -9.174 -8.000 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.891 -7.485 -7.513 1.00 0.00 H new ATOM 166 N MET A 12 6.132 -6.014 -8.829 1.00 0.00 N ATOM 167 CA MET A 12 6.535 -4.664 -9.225 1.00 0.00 C ATOM 168 C MET A 12 7.569 -4.728 -10.339 1.00 0.00 C ATOM 169 O MET A 12 7.445 -4.046 -11.358 1.00 0.00 O ATOM 170 CB MET A 12 7.133 -3.895 -8.048 1.00 0.00 C ATOM 171 CG MET A 12 6.409 -4.111 -6.735 1.00 0.00 C ATOM 172 SD MET A 12 4.817 -3.269 -6.681 1.00 0.00 S ATOM 173 CE MET A 12 5.294 -1.641 -7.246 1.00 0.00 C ATOM 0 H MET A 12 6.381 -6.262 -7.872 1.00 0.00 H new ATOM 0 HA MET A 12 5.641 -4.146 -9.572 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.176 -4.189 -7.928 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.127 -2.831 -8.283 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.257 -5.179 -6.578 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.034 -3.754 -5.916 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.651 -0.892 -6.783 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.331 -1.449 -6.970 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.191 -1.587 -8.330 1.00 0.00 H new ATOM 183 N LYS A 13 8.593 -5.553 -10.130 1.00 0.00 N ATOM 184 CA LYS A 13 9.662 -5.716 -11.108 1.00 0.00 C ATOM 185 C LYS A 13 9.080 -5.968 -12.488 1.00 0.00 C ATOM 186 O LYS A 13 9.410 -5.275 -13.451 1.00 0.00 O ATOM 187 CB LYS A 13 10.580 -6.872 -10.707 1.00 0.00 C ATOM 188 CG LYS A 13 12.044 -6.629 -11.039 1.00 0.00 C ATOM 189 CD LYS A 13 12.401 -7.175 -12.412 1.00 0.00 C ATOM 190 CE LYS A 13 13.435 -8.285 -12.318 1.00 0.00 C ATOM 191 NZ LYS A 13 14.785 -7.824 -12.745 1.00 0.00 N ATOM 0 H LYS A 13 8.703 -6.120 -9.289 1.00 0.00 H new ATOM 0 HA LYS A 13 10.248 -4.797 -11.136 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.483 -7.047 -9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.248 -7.780 -11.210 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.253 -5.560 -11.006 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.673 -7.101 -10.284 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.502 -7.554 -12.899 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.787 -6.369 -13.036 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.484 -8.650 -11.292 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.124 -9.124 -12.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.461 -8.610 -12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.745 -7.499 -13.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.093 -7.040 -12.135 1.00 0.00 H new ATOM 205 N ARG A 14 8.203 -6.961 -12.575 1.00 0.00 N ATOM 206 CA ARG A 14 7.563 -7.299 -13.835 1.00 0.00 C ATOM 207 C ARG A 14 6.749 -6.117 -14.339 1.00 0.00 C ATOM 208 O ARG A 14 6.615 -5.912 -15.547 1.00 0.00 O ATOM 209 CB ARG A 14 6.664 -8.524 -13.666 1.00 0.00 C ATOM 210 CG ARG A 14 7.431 -9.810 -13.407 1.00 0.00 C ATOM 211 CD ARG A 14 6.680 -11.023 -13.934 1.00 0.00 C ATOM 212 NE ARG A 14 6.732 -11.108 -15.390 1.00 0.00 N ATOM 213 CZ ARG A 14 7.439 -12.020 -16.052 1.00 0.00 C ATOM 214 NH1 ARG A 14 8.151 -12.921 -15.388 1.00 0.00 N ATOM 215 NH2 ARG A 14 7.435 -12.032 -17.378 1.00 0.00 N ATOM 0 H ARG A 14 7.921 -7.544 -11.787 1.00 0.00 H new ATOM 0 HA ARG A 14 8.336 -7.535 -14.567 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.976 -8.348 -12.839 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.058 -8.647 -14.564 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.410 -9.753 -13.882 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.602 -9.924 -12.337 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.106 -11.929 -13.503 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.640 -10.974 -13.611 1.00 0.00 H new ATOM 0 HE ARG A 14 6.196 -10.430 -15.931 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.157 -12.915 -14.368 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.692 -13.619 -15.897 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.889 -11.341 -17.893 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.978 -12.732 -17.883 1.00 0.00 H new ATOM 229 N HIS A 15 6.181 -5.353 -13.407 1.00 0.00 N ATOM 230 CA HIS A 15 5.353 -4.209 -13.756 1.00 0.00 C ATOM 231 C HIS A 15 6.190 -3.007 -14.182 1.00 0.00 C ATOM 232 O HIS A 15 5.640 -1.995 -14.617 1.00 0.00 O ATOM 233 CB HIS A 15 4.463 -3.824 -12.574 1.00 0.00 C ATOM 234 CG HIS A 15 3.136 -4.517 -12.567 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.477 -4.869 -11.408 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.341 -4.923 -13.587 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.336 -5.460 -11.713 1.00 0.00 C ATOM 238 NE2 HIS A 15 1.229 -5.505 -13.028 1.00 0.00 N ATOM 0 H HIS A 15 6.282 -5.509 -12.404 1.00 0.00 H new ATOM 0 HA HIS A 15 4.734 -4.502 -14.604 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.987 -4.053 -11.646 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.300 -2.746 -12.590 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.544 -4.810 -14.642 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.613 -5.842 -11.007 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.447 -5.907 -13.545 1.00 0.00 H new ATOM 247 N GLY A 16 7.516 -3.124 -14.114 1.00 0.00 N ATOM 248 CA GLY A 16 8.378 -2.043 -14.555 1.00 0.00 C ATOM 249 C GLY A 16 8.436 -0.832 -13.641 1.00 0.00 C ATOM 250 O GLY A 16 8.711 0.269 -14.117 1.00 0.00 O ATOM 0 H GLY A 16 8.005 -3.947 -13.762 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.388 -2.434 -14.674 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.045 -1.716 -15.540 1.00 0.00 H new ATOM 254 N LEU A 17 8.189 -0.990 -12.338 1.00 0.00 N ATOM 255 CA LEU A 17 8.244 0.167 -11.450 1.00 0.00 C ATOM 256 C LEU A 17 9.641 0.345 -10.892 1.00 0.00 C ATOM 257 O LEU A 17 9.896 1.227 -10.073 1.00 0.00 O ATOM 258 CB LEU A 17 7.233 0.049 -10.310 1.00 0.00 C ATOM 259 CG LEU A 17 5.871 -0.546 -10.680 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.780 0.071 -9.821 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.547 -0.336 -12.153 1.00 0.00 C ATOM 0 H LEU A 17 7.957 -1.876 -11.889 1.00 0.00 H new ATOM 0 HA LEU A 17 7.984 1.045 -12.041 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.673 -0.563 -9.523 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.072 1.042 -9.890 1.00 0.00 H new ATOM 0 HG LEU A 17 5.919 -1.619 -10.495 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.816 -0.359 -10.093 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.985 -0.133 -8.770 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.755 1.149 -9.983 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.573 -0.772 -12.377 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.526 0.731 -12.372 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.309 -0.817 -12.765 1.00 0.00 H new ATOM 273 N ASP A 18 10.539 -0.503 -11.352 1.00 0.00 N ATOM 274 CA ASP A 18 11.928 -0.456 -10.916 1.00 0.00 C ATOM 275 C ASP A 18 12.644 0.748 -11.525 1.00 0.00 C ATOM 276 O ASP A 18 13.215 0.672 -12.615 1.00 0.00 O ATOM 277 CB ASP A 18 12.649 -1.762 -11.272 1.00 0.00 C ATOM 278 CG ASP A 18 14.140 -1.578 -11.479 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.832 -1.201 -10.510 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.616 -1.811 -12.611 1.00 0.00 O ATOM 0 H ASP A 18 10.335 -1.237 -12.030 1.00 0.00 H new ATOM 0 HA ASP A 18 11.945 -0.345 -9.832 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.485 -2.489 -10.477 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.210 -2.177 -12.179 1.00 0.00 H new ATOM 285 N ASN A 19 12.598 1.862 -10.801 1.00 0.00 N ATOM 286 CA ASN A 19 13.228 3.108 -11.227 1.00 0.00 C ATOM 287 C ASN A 19 12.579 3.654 -12.489 1.00 0.00 C ATOM 288 O ASN A 19 13.248 4.224 -13.351 1.00 0.00 O ATOM 289 CB ASN A 19 14.729 2.906 -11.448 1.00 0.00 C ATOM 290 CG ASN A 19 15.521 4.180 -11.230 1.00 0.00 C ATOM 291 OD1 ASN A 19 16.199 4.666 -12.135 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.441 4.728 -10.023 1.00 0.00 N ATOM 0 H ASN A 19 12.122 1.927 -9.901 1.00 0.00 H new ATOM 0 HA ASN A 19 13.085 3.839 -10.431 1.00 0.00 H new ATOM 0 HB2 ASN A 19 15.093 2.134 -10.770 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.899 2.545 -12.462 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.954 5.585 -9.817 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.867 4.292 -9.302 1.00 0.00 H new ATOM 299 N TYR A 20 11.268 3.492 -12.581 1.00 0.00 N ATOM 300 CA TYR A 20 10.520 3.986 -13.726 1.00 0.00 C ATOM 301 C TYR A 20 10.513 5.504 -13.683 1.00 0.00 C ATOM 302 O TYR A 20 11.046 6.084 -12.739 1.00 0.00 O ATOM 303 CB TYR A 20 9.087 3.438 -13.690 1.00 0.00 C ATOM 304 CG TYR A 20 8.259 3.774 -14.911 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.581 3.256 -16.158 1.00 0.00 C ATOM 306 CD2 TYR A 20 7.153 4.610 -14.811 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.824 3.563 -17.274 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.392 4.920 -15.921 1.00 0.00 C ATOM 309 CZ TYR A 20 6.731 4.395 -17.150 1.00 0.00 C ATOM 310 OH TYR A 20 5.974 4.700 -18.258 1.00 0.00 O ATOM 0 H TYR A 20 10.700 3.022 -11.876 1.00 0.00 H new ATOM 0 HA TYR A 20 10.988 3.652 -14.652 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.128 2.354 -13.581 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.584 3.829 -12.806 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.436 2.603 -16.258 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.885 5.024 -13.850 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.087 3.153 -18.238 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.535 5.571 -15.827 1.00 0.00 H new ATOM 0 HH TYR A 20 5.241 5.297 -17.999 1.00 0.00 H new ATOM 320 N ARG A 21 9.935 6.140 -14.704 1.00 0.00 N ATOM 321 CA ARG A 21 9.868 7.600 -14.770 1.00 0.00 C ATOM 322 C ARG A 21 9.769 8.193 -13.366 1.00 0.00 C ATOM 323 O ARG A 21 10.229 9.305 -13.105 1.00 0.00 O ATOM 324 CB ARG A 21 8.667 8.040 -15.608 1.00 0.00 C ATOM 325 CG ARG A 21 8.816 7.741 -17.090 1.00 0.00 C ATOM 326 CD ARG A 21 9.653 8.799 -17.792 1.00 0.00 C ATOM 327 NE ARG A 21 10.301 8.278 -18.992 1.00 0.00 N ATOM 328 CZ ARG A 21 10.400 8.957 -20.132 1.00 0.00 C ATOM 329 NH1 ARG A 21 9.896 10.180 -20.224 1.00 0.00 N ATOM 330 NH2 ARG A 21 11.005 8.413 -21.179 1.00 0.00 N ATOM 0 H ARG A 21 9.506 5.665 -15.498 1.00 0.00 H new ATOM 0 HA ARG A 21 10.780 7.965 -15.242 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.772 7.543 -15.234 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.515 9.111 -15.476 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.280 6.763 -17.220 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.830 7.690 -17.553 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.018 9.644 -18.061 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.411 9.176 -17.105 1.00 0.00 H new ATOM 0 HE ARG A 21 10.701 7.340 -18.954 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.431 10.602 -19.420 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.973 10.699 -21.099 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.395 7.473 -21.111 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.080 8.935 -22.052 1.00 0.00 H new ATOM 344 N GLY A 22 9.197 7.404 -12.462 1.00 0.00 N ATOM 345 CA GLY A 22 9.071 7.807 -11.081 1.00 0.00 C ATOM 346 C GLY A 22 10.251 7.336 -10.245 1.00 0.00 C ATOM 347 O GLY A 22 11.340 7.905 -10.324 1.00 0.00 O ATOM 0 H GLY A 22 8.815 6.481 -12.670 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.996 8.893 -11.025 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.148 7.402 -10.667 1.00 0.00 H new ATOM 351 N TYR A 23 10.021 6.321 -9.415 1.00 0.00 N ATOM 352 CA TYR A 23 11.073 5.817 -8.533 1.00 0.00 C ATOM 353 C TYR A 23 11.342 4.326 -8.684 1.00 0.00 C ATOM 354 O TYR A 23 10.732 3.640 -9.503 1.00 0.00 O ATOM 355 CB TYR A 23 10.728 6.135 -7.081 1.00 0.00 C ATOM 356 CG TYR A 23 10.865 7.601 -6.736 1.00 0.00 C ATOM 357 CD1 TYR A 23 9.972 8.537 -7.240 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.886 8.048 -5.907 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.091 9.879 -6.929 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.011 9.387 -5.590 1.00 0.00 C ATOM 361 CZ TYR A 23 11.113 10.298 -6.104 1.00 0.00 C ATOM 362 OH TYR A 23 11.235 11.632 -5.791 1.00 0.00 O ATOM 0 H TYR A 23 9.127 5.836 -9.334 1.00 0.00 H new ATOM 0 HA TYR A 23 11.990 6.325 -8.830 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.705 5.817 -6.881 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.377 5.553 -6.426 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.170 8.211 -7.886 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.593 7.338 -5.504 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.388 10.594 -7.330 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.809 9.719 -4.942 1.00 0.00 H new ATOM 0 HH TYR A 23 12.005 11.760 -5.199 1.00 0.00 H new ATOM 372 N SER A 24 12.294 3.848 -7.876 1.00 0.00 N ATOM 373 CA SER A 24 12.707 2.453 -7.883 1.00 0.00 C ATOM 374 C SER A 24 11.732 1.571 -7.118 1.00 0.00 C ATOM 375 O SER A 24 10.950 2.051 -6.297 1.00 0.00 O ATOM 376 CB SER A 24 14.107 2.316 -7.283 1.00 0.00 C ATOM 377 OG SER A 24 14.094 2.583 -5.891 1.00 0.00 O ATOM 0 H SER A 24 12.797 4.423 -7.200 1.00 0.00 H new ATOM 0 HA SER A 24 12.718 2.119 -8.921 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.485 1.309 -7.460 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.789 3.004 -7.782 1.00 0.00 H new ATOM 0 HG SER A 24 15.000 2.487 -5.531 1.00 0.00 H new ATOM 383 N LEU A 25 11.795 0.276 -7.406 1.00 0.00 N ATOM 384 CA LEU A 25 10.932 -0.712 -6.767 1.00 0.00 C ATOM 385 C LEU A 25 10.811 -0.460 -5.266 1.00 0.00 C ATOM 386 O LEU A 25 9.705 -0.334 -4.741 1.00 0.00 O ATOM 387 CB LEU A 25 11.471 -2.124 -7.021 1.00 0.00 C ATOM 388 CG LEU A 25 11.222 -2.686 -8.424 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.416 -4.194 -8.434 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.829 -2.325 -8.916 1.00 0.00 C ATOM 0 H LEU A 25 12.444 -0.118 -8.087 1.00 0.00 H new ATOM 0 HA LEU A 25 9.938 -0.621 -7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.545 -2.122 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.023 -2.801 -6.293 1.00 0.00 H new ATOM 0 HG LEU A 25 11.947 -2.237 -9.103 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.235 -4.577 -9.438 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.436 -4.432 -8.133 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.716 -4.656 -7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.678 -2.736 -9.914 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.084 -2.739 -8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.725 -1.241 -8.951 1.00 0.00 H new ATOM 402 N GLY A 26 11.950 -0.406 -4.579 1.00 0.00 N ATOM 403 CA GLY A 26 11.952 -0.185 -3.141 1.00 0.00 C ATOM 404 C GLY A 26 11.018 0.930 -2.698 1.00 0.00 C ATOM 405 O GLY A 26 10.370 0.823 -1.658 1.00 0.00 O ATOM 0 H GLY A 26 12.876 -0.512 -4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.666 -1.109 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.966 0.052 -2.819 1.00 0.00 H new ATOM 409 N ASN A 27 10.944 2.000 -3.486 1.00 0.00 N ATOM 410 CA ASN A 27 10.077 3.128 -3.157 1.00 0.00 C ATOM 411 C ASN A 27 8.611 2.714 -3.225 1.00 0.00 C ATOM 412 O ASN A 27 7.781 3.186 -2.447 1.00 0.00 O ATOM 413 CB ASN A 27 10.336 4.296 -4.109 1.00 0.00 C ATOM 414 CG ASN A 27 11.644 5.003 -3.813 1.00 0.00 C ATOM 415 OD1 ASN A 27 11.656 6.150 -3.365 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.756 4.321 -4.062 1.00 0.00 N ATOM 0 H ASN A 27 11.471 2.109 -4.352 1.00 0.00 H new ATOM 0 HA ASN A 27 10.303 3.447 -2.140 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.349 3.929 -5.135 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.515 5.010 -4.036 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.666 4.746 -3.882 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.700 3.373 -4.433 1.00 0.00 H new ATOM 423 N TRP A 28 8.308 1.819 -4.156 1.00 0.00 N ATOM 424 CA TRP A 28 6.953 1.315 -4.337 1.00 0.00 C ATOM 425 C TRP A 28 6.551 0.405 -3.192 1.00 0.00 C ATOM 426 O TRP A 28 5.419 0.457 -2.713 1.00 0.00 O ATOM 427 CB TRP A 28 6.855 0.563 -5.652 1.00 0.00 C ATOM 428 CG TRP A 28 7.099 1.446 -6.823 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.285 1.652 -7.451 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.134 2.255 -7.497 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.127 2.550 -8.472 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.811 2.932 -8.527 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.764 2.469 -7.328 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.164 3.813 -9.387 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.116 3.340 -8.179 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.815 4.006 -9.202 1.00 0.00 C ATOM 0 H TRP A 28 8.990 1.424 -4.803 1.00 0.00 H new ATOM 0 HA TRP A 28 6.272 2.166 -4.352 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.578 -0.253 -5.657 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.866 0.113 -5.738 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.217 1.177 -7.184 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.867 2.881 -9.091 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.221 1.961 -6.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.701 4.326 -10.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.057 3.513 -8.058 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.282 4.682 -9.855 1.00 0.00 H new ATOM 447 N VAL A 29 7.481 -0.436 -2.758 1.00 0.00 N ATOM 448 CA VAL A 29 7.223 -1.365 -1.673 1.00 0.00 C ATOM 449 C VAL A 29 6.981 -0.634 -0.365 1.00 0.00 C ATOM 450 O VAL A 29 6.010 -0.909 0.335 1.00 0.00 O ATOM 451 CB VAL A 29 8.401 -2.342 -1.499 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.151 -3.300 -0.344 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.653 -3.100 -2.795 1.00 0.00 C ATOM 0 H VAL A 29 8.423 -0.491 -3.145 1.00 0.00 H new ATOM 0 HA VAL A 29 6.324 -1.924 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 29 9.294 -1.765 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.998 -3.978 -0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.029 -2.733 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.246 -3.876 -0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.488 -3.787 -2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.760 -3.663 -3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.891 -2.393 -3.590 1.00 0.00 H new ATOM 463 N CYS A 30 7.871 0.284 -0.033 1.00 0.00 N ATOM 464 CA CYS A 30 7.751 1.041 1.201 1.00 0.00 C ATOM 465 C CYS A 30 6.448 1.837 1.238 1.00 0.00 C ATOM 466 O CYS A 30 5.736 1.828 2.246 1.00 0.00 O ATOM 467 CB CYS A 30 8.945 1.978 1.368 1.00 0.00 C ATOM 468 SG CYS A 30 9.138 2.622 3.057 1.00 0.00 S ATOM 0 H CYS A 30 8.684 0.524 -0.600 1.00 0.00 H new ATOM 0 HA CYS A 30 7.738 0.332 2.028 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.854 1.448 1.085 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.837 2.816 0.679 1.00 0.00 H new ATOM 473 N ALA A 31 6.137 2.531 0.142 1.00 0.00 N ATOM 474 CA ALA A 31 4.923 3.333 0.070 1.00 0.00 C ATOM 475 C ALA A 31 3.674 2.474 0.221 1.00 0.00 C ATOM 476 O ALA A 31 2.767 2.815 0.978 1.00 0.00 O ATOM 477 CB ALA A 31 4.878 4.098 -1.244 1.00 0.00 C ATOM 0 H ALA A 31 6.709 2.552 -0.703 1.00 0.00 H new ATOM 0 HA ALA A 31 4.942 4.041 0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.966 4.694 -1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.745 4.755 -1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.890 3.394 -2.076 1.00 0.00 H new ATOM 483 N ALA A 32 3.633 1.364 -0.508 1.00 0.00 N ATOM 484 CA ALA A 32 2.490 0.460 -0.462 1.00 0.00 C ATOM 485 C ALA A 32 2.379 -0.237 0.891 1.00 0.00 C ATOM 486 O ALA A 32 1.295 -0.306 1.472 1.00 0.00 O ATOM 487 CB ALA A 32 2.591 -0.569 -1.577 1.00 0.00 C ATOM 0 H ALA A 32 4.379 1.069 -1.138 1.00 0.00 H new ATOM 0 HA ALA A 32 1.588 1.056 -0.603 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.732 -1.239 -1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.606 -0.061 -2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.508 -1.146 -1.457 1.00 0.00 H new ATOM 493 N LYS A 33 3.498 -0.765 1.377 1.00 0.00 N ATOM 494 CA LYS A 33 3.536 -1.475 2.650 1.00 0.00 C ATOM 495 C LYS A 33 2.808 -0.714 3.744 1.00 0.00 C ATOM 496 O LYS A 33 1.878 -1.228 4.358 1.00 0.00 O ATOM 497 CB LYS A 33 4.988 -1.706 3.078 1.00 0.00 C ATOM 498 CG LYS A 33 5.125 -2.364 4.442 1.00 0.00 C ATOM 499 CD LYS A 33 6.583 -2.604 4.798 1.00 0.00 C ATOM 500 CE LYS A 33 6.870 -4.083 5.004 1.00 0.00 C ATOM 501 NZ LYS A 33 8.300 -4.332 5.332 1.00 0.00 N ATOM 0 H LYS A 33 4.399 -0.713 0.902 1.00 0.00 H new ATOM 0 HA LYS A 33 3.031 -2.430 2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.483 -2.329 2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.510 -0.749 3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.663 -1.732 5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.587 -3.312 4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.221 -2.216 4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.832 -2.054 5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.241 -4.466 5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.604 -4.633 4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.366 -5.079 6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.806 -4.633 4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.729 -3.458 5.698 1.00 0.00 H new ATOM 515 N PHE A 34 3.254 0.504 4.003 1.00 0.00 N ATOM 516 CA PHE A 34 2.651 1.313 5.050 1.00 0.00 C ATOM 517 C PHE A 34 1.306 1.881 4.637 1.00 0.00 C ATOM 518 O PHE A 34 0.487 2.225 5.488 1.00 0.00 O ATOM 519 CB PHE A 34 3.589 2.427 5.468 1.00 0.00 C ATOM 520 CG PHE A 34 4.497 2.059 6.606 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.045 2.114 7.915 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.802 1.660 6.367 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.879 1.776 8.964 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.641 1.321 7.413 1.00 0.00 C ATOM 525 CZ PHE A 34 6.178 1.380 8.713 1.00 0.00 C ATOM 0 H PHE A 34 4.025 0.952 3.508 1.00 0.00 H new ATOM 0 HA PHE A 34 2.476 0.655 5.901 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.196 2.719 4.611 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.999 3.298 5.753 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.031 2.424 8.117 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.168 1.613 5.352 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.515 1.822 9.980 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.656 1.011 7.214 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.831 1.117 9.532 1.00 0.00 H new ATOM 535 N GLU A 35 1.078 1.991 3.338 1.00 0.00 N ATOM 536 CA GLU A 35 -0.170 2.534 2.829 1.00 0.00 C ATOM 537 C GLU A 35 -1.377 1.716 3.270 1.00 0.00 C ATOM 538 O GLU A 35 -2.319 2.244 3.860 1.00 0.00 O ATOM 539 CB GLU A 35 -0.118 2.572 1.303 1.00 0.00 C ATOM 540 CG GLU A 35 -0.400 3.944 0.716 1.00 0.00 C ATOM 541 CD GLU A 35 0.193 4.116 -0.668 1.00 0.00 C ATOM 542 OE1 GLU A 35 1.386 4.472 -0.763 1.00 0.00 O ATOM 543 OE2 GLU A 35 -0.535 3.893 -1.657 1.00 0.00 O ATOM 0 H GLU A 35 1.742 1.711 2.616 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.284 3.539 3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.867 2.241 0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.842 1.861 0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.478 4.101 0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.004 4.709 1.379 1.00 0.00 H new ATOM 550 N SER A 36 -1.361 0.436 2.926 1.00 0.00 N ATOM 551 CA SER A 36 -2.481 -0.450 3.229 1.00 0.00 C ATOM 552 C SER A 36 -2.029 -1.734 3.908 1.00 0.00 C ATOM 553 O SER A 36 -2.785 -2.704 3.966 1.00 0.00 O ATOM 554 CB SER A 36 -3.198 -0.799 1.922 1.00 0.00 C ATOM 555 OG SER A 36 -2.259 -1.106 0.909 1.00 0.00 O ATOM 0 H SER A 36 -0.587 -0.014 2.437 1.00 0.00 H new ATOM 0 HA SER A 36 -3.148 0.070 3.917 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.862 -1.649 2.080 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.821 0.038 1.607 1.00 0.00 H new ATOM 0 HG SER A 36 -1.436 -1.446 1.318 1.00 0.00 H new ATOM 561 N ASN A 37 -0.796 -1.757 4.394 1.00 0.00 N ATOM 562 CA ASN A 37 -0.269 -2.957 5.029 1.00 0.00 C ATOM 563 C ASN A 37 -0.310 -4.099 4.023 1.00 0.00 C ATOM 564 O ASN A 37 -0.419 -5.265 4.387 1.00 0.00 O ATOM 565 CB ASN A 37 -1.079 -3.315 6.278 1.00 0.00 C ATOM 566 CG ASN A 37 -0.203 -3.495 7.503 1.00 0.00 C ATOM 567 OD1 ASN A 37 -0.321 -2.751 8.479 1.00 0.00 O ATOM 568 ND2 ASN A 37 0.681 -4.484 7.458 1.00 0.00 N ATOM 0 H ASN A 37 -0.149 -0.969 4.362 1.00 0.00 H new ATOM 0 HA ASN A 37 0.759 -2.778 5.344 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.811 -2.531 6.470 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.637 -4.234 6.095 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.298 -4.653 8.252 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.743 -5.075 6.629 1.00 0.00 H new ATOM 575 N PHE A 38 -0.208 -3.717 2.749 1.00 0.00 N ATOM 576 CA PHE A 38 -0.214 -4.628 1.614 1.00 0.00 C ATOM 577 C PHE A 38 -1.611 -5.150 1.316 1.00 0.00 C ATOM 578 O PHE A 38 -1.771 -6.177 0.662 1.00 0.00 O ATOM 579 CB PHE A 38 0.793 -5.760 1.813 1.00 0.00 C ATOM 580 CG PHE A 38 2.209 -5.298 1.626 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.577 -4.623 0.472 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.164 -5.517 2.602 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.870 -4.178 0.294 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.462 -5.073 2.430 1.00 0.00 C ATOM 585 CZ PHE A 38 4.815 -4.404 1.274 1.00 0.00 C ATOM 0 H PHE A 38 -0.117 -2.739 2.476 1.00 0.00 H new ATOM 0 HA PHE A 38 0.100 -4.064 0.735 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.677 -6.175 2.814 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.578 -6.563 1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.841 -4.443 -0.298 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.893 -6.040 3.507 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.142 -3.654 -0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.200 -5.249 3.199 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.829 -4.058 1.137 1.00 0.00 H new ATOM 595 N ASN A 39 -2.624 -4.411 1.762 1.00 0.00 N ATOM 596 CA ASN A 39 -4.011 -4.785 1.511 1.00 0.00 C ATOM 597 C ASN A 39 -4.461 -4.231 0.167 1.00 0.00 C ATOM 598 O ASN A 39 -4.637 -3.024 0.006 1.00 0.00 O ATOM 599 CB ASN A 39 -4.921 -4.273 2.625 1.00 0.00 C ATOM 600 CG ASN A 39 -6.127 -5.167 2.843 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.714 -5.679 1.890 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.500 -5.360 4.103 1.00 0.00 N ATOM 0 H ASN A 39 -2.509 -3.551 2.298 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.079 -5.873 1.490 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.352 -4.203 3.552 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.258 -3.266 2.381 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.303 -5.953 4.312 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.983 -4.915 4.862 1.00 0.00 H new ATOM 609 N THR A 40 -4.614 -5.122 -0.801 1.00 0.00 N ATOM 610 CA THR A 40 -5.006 -4.734 -2.148 1.00 0.00 C ATOM 611 C THR A 40 -6.519 -4.677 -2.282 1.00 0.00 C ATOM 612 O THR A 40 -7.055 -3.987 -3.149 1.00 0.00 O ATOM 613 CB THR A 40 -4.445 -5.727 -3.182 1.00 0.00 C ATOM 614 OG1 THR A 40 -5.391 -6.776 -3.423 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.138 -6.330 -2.696 1.00 0.00 C ATOM 0 H THR A 40 -4.472 -6.124 -0.678 1.00 0.00 H new ATOM 0 HA THR A 40 -4.596 -3.742 -2.336 1.00 0.00 H new ATOM 0 HB THR A 40 -4.260 -5.183 -4.108 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.989 -7.639 -3.191 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.760 -7.029 -3.442 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.407 -5.536 -2.539 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.308 -6.858 -1.758 1.00 0.00 H new ATOM 623 N GLN A 41 -7.198 -5.421 -1.422 1.00 0.00 N ATOM 624 CA GLN A 41 -8.650 -5.481 -1.435 1.00 0.00 C ATOM 625 C GLN A 41 -9.266 -4.505 -0.435 1.00 0.00 C ATOM 626 O GLN A 41 -10.485 -4.469 -0.264 1.00 0.00 O ATOM 627 CB GLN A 41 -9.096 -6.906 -1.115 1.00 0.00 C ATOM 628 CG GLN A 41 -9.276 -7.781 -2.344 1.00 0.00 C ATOM 629 CD GLN A 41 -10.723 -7.879 -2.783 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.326 -6.889 -3.200 1.00 0.00 O ATOM 631 NE2 GLN A 41 -11.291 -9.075 -2.690 1.00 0.00 N ATOM 0 H GLN A 41 -6.761 -5.996 -0.701 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.995 -5.194 -2.428 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.361 -7.368 -0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.037 -6.868 -0.566 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.678 -7.379 -3.162 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.896 -8.780 -2.133 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.755 -9.868 -2.339 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.264 -9.201 -2.970 1.00 0.00 H new ATOM 640 N ALA A 42 -8.422 -3.730 0.239 1.00 0.00 N ATOM 641 CA ALA A 42 -8.895 -2.776 1.235 1.00 0.00 C ATOM 642 C ALA A 42 -9.224 -1.416 0.632 1.00 0.00 C ATOM 643 O ALA A 42 -8.807 -1.085 -0.479 1.00 0.00 O ATOM 644 CB ALA A 42 -7.867 -2.615 2.342 1.00 0.00 C ATOM 0 H ALA A 42 -7.410 -3.744 0.114 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.819 -3.181 1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.234 -1.900 3.078 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.698 -3.578 2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.930 -2.252 1.919 1.00 0.00 H new ATOM 650 N THR A 43 -9.970 -0.634 1.401 1.00 0.00 N ATOM 651 CA THR A 43 -10.377 0.710 1.007 1.00 0.00 C ATOM 652 C THR A 43 -10.081 1.691 2.142 1.00 0.00 C ATOM 653 O THR A 43 -10.144 1.318 3.314 1.00 0.00 O ATOM 654 CB THR A 43 -11.882 0.769 0.677 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.631 1.091 1.856 1.00 0.00 O ATOM 656 CG2 THR A 43 -12.368 -0.559 0.114 1.00 0.00 C ATOM 0 H THR A 43 -10.312 -0.915 2.320 1.00 0.00 H new ATOM 0 HA THR A 43 -9.814 0.980 0.114 1.00 0.00 H new ATOM 0 HB THR A 43 -12.033 1.543 -0.075 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.586 1.128 1.637 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.432 -0.491 -0.111 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.819 -0.790 -0.799 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.201 -1.348 0.847 1.00 0.00 H new ATOM 664 N ASN A 44 -9.757 2.937 1.806 1.00 0.00 N ATOM 665 CA ASN A 44 -9.455 3.938 2.829 1.00 0.00 C ATOM 666 C ASN A 44 -10.130 5.271 2.518 1.00 0.00 C ATOM 667 O ASN A 44 -9.597 6.088 1.767 1.00 0.00 O ATOM 668 CB ASN A 44 -7.943 4.134 2.951 1.00 0.00 C ATOM 669 CG ASN A 44 -7.537 4.680 4.306 1.00 0.00 C ATOM 670 OD1 ASN A 44 -7.251 3.922 5.233 1.00 0.00 O ATOM 671 ND2 ASN A 44 -7.511 6.002 4.428 1.00 0.00 N ATOM 0 H ASN A 44 -9.697 3.276 0.846 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.847 3.572 3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.441 3.181 2.781 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.604 4.816 2.171 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.246 6.427 5.317 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.756 6.592 3.633 1.00 0.00 H new ATOM 678 N ARG A 45 -11.306 5.481 3.102 1.00 0.00 N ATOM 679 CA ARG A 45 -12.060 6.713 2.888 1.00 0.00 C ATOM 680 C ARG A 45 -11.295 7.929 3.402 1.00 0.00 C ATOM 681 O ARG A 45 -10.858 7.961 4.553 1.00 0.00 O ATOM 682 CB ARG A 45 -13.421 6.623 3.582 1.00 0.00 C ATOM 683 CG ARG A 45 -14.387 7.722 3.171 1.00 0.00 C ATOM 684 CD ARG A 45 -15.448 7.958 4.234 1.00 0.00 C ATOM 685 NE ARG A 45 -16.483 8.883 3.780 1.00 0.00 N ATOM 686 CZ ARG A 45 -17.590 9.147 4.467 1.00 0.00 C ATOM 687 NH1 ARG A 45 -17.807 8.556 5.635 1.00 0.00 N ATOM 688 NH2 ARG A 45 -18.482 10.002 3.987 1.00 0.00 N ATOM 0 H ARG A 45 -11.758 4.814 3.727 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.207 6.834 1.815 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.869 5.655 3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.273 6.666 4.661 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.835 8.645 2.995 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.867 7.453 2.230 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.906 7.007 4.506 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -14.977 8.354 5.134 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.349 9.353 2.885 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.123 7.897 6.008 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.657 8.761 6.160 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.319 10.458 3.089 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -19.331 10.204 4.515 1.00 0.00 H new ATOM 702 N ASN A 46 -11.142 8.929 2.539 1.00 0.00 N ATOM 703 CA ASN A 46 -10.437 10.155 2.897 1.00 0.00 C ATOM 704 C ASN A 46 -11.415 11.233 3.346 1.00 0.00 C ATOM 705 O ASN A 46 -12.627 11.016 3.374 1.00 0.00 O ATOM 706 CB ASN A 46 -9.612 10.660 1.712 1.00 0.00 C ATOM 707 CG ASN A 46 -8.870 9.542 1.006 1.00 0.00 C ATOM 708 OD1 ASN A 46 -7.991 8.903 1.583 1.00 0.00 O ATOM 709 ND2 ASN A 46 -9.221 9.302 -0.252 1.00 0.00 N ATOM 0 H ASN A 46 -11.498 8.914 1.583 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.767 9.929 3.726 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.270 11.161 1.002 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.896 11.403 2.062 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.756 8.563 -0.779 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.956 9.857 -0.691 1.00 0.00 H new ATOM 716 N THR A 47 -10.877 12.391 3.705 1.00 0.00 N ATOM 717 CA THR A 47 -11.694 13.509 4.164 1.00 0.00 C ATOM 718 C THR A 47 -11.996 14.490 3.034 1.00 0.00 C ATOM 719 O THR A 47 -12.985 15.220 3.084 1.00 0.00 O ATOM 720 CB THR A 47 -11.008 14.268 5.314 1.00 0.00 C ATOM 721 OG1 THR A 47 -9.691 14.668 4.921 1.00 0.00 O ATOM 722 CG2 THR A 47 -10.929 13.403 6.563 1.00 0.00 C ATOM 0 H THR A 47 -9.875 12.582 3.687 1.00 0.00 H new ATOM 0 HA THR A 47 -12.631 13.081 4.521 1.00 0.00 H new ATOM 0 HB THR A 47 -11.603 15.153 5.541 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.262 15.152 5.658 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.440 13.961 7.362 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.935 13.125 6.877 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.355 12.502 6.346 1.00 0.00 H new ATOM 730 N ASP A 48 -11.139 14.506 2.016 1.00 0.00 N ATOM 731 CA ASP A 48 -11.321 15.406 0.881 1.00 0.00 C ATOM 732 C ASP A 48 -12.510 14.977 0.023 1.00 0.00 C ATOM 733 O ASP A 48 -12.906 15.684 -0.904 1.00 0.00 O ATOM 734 CB ASP A 48 -10.051 15.456 0.029 1.00 0.00 C ATOM 735 CG ASP A 48 -9.806 14.165 -0.725 1.00 0.00 C ATOM 736 OD1 ASP A 48 -9.345 13.189 -0.096 1.00 0.00 O ATOM 737 OD2 ASP A 48 -10.073 14.130 -1.944 1.00 0.00 O ATOM 0 H ASP A 48 -10.315 13.908 1.954 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.524 16.402 1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.126 16.279 -0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.195 15.666 0.671 1.00 0.00 H new ATOM 742 N GLY A 49 -13.078 13.819 0.344 1.00 0.00 N ATOM 743 CA GLY A 49 -14.219 13.319 -0.402 1.00 0.00 C ATOM 744 C GLY A 49 -13.848 12.219 -1.377 1.00 0.00 C ATOM 745 O GLY A 49 -14.339 12.189 -2.506 1.00 0.00 O ATOM 0 H GLY A 49 -12.769 13.218 1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.967 12.942 0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.679 14.142 -0.948 1.00 0.00 H new ATOM 749 N SER A 50 -12.982 11.312 -0.940 1.00 0.00 N ATOM 750 CA SER A 50 -12.549 10.202 -1.783 1.00 0.00 C ATOM 751 C SER A 50 -12.288 8.952 -0.950 1.00 0.00 C ATOM 752 O SER A 50 -12.775 8.828 0.173 1.00 0.00 O ATOM 753 CB SER A 50 -11.291 10.581 -2.567 1.00 0.00 C ATOM 754 OG SER A 50 -10.507 11.520 -1.853 1.00 0.00 O ATOM 0 H SER A 50 -12.566 11.322 -0.009 1.00 0.00 H new ATOM 0 HA SER A 50 -13.352 9.985 -2.488 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.700 9.687 -2.767 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.573 10.999 -3.533 1.00 0.00 H new ATOM 0 HG SER A 50 -10.533 12.385 -2.313 1.00 0.00 H new ATOM 760 N THR A 51 -11.515 8.028 -1.512 1.00 0.00 N ATOM 761 CA THR A 51 -11.180 6.782 -0.834 1.00 0.00 C ATOM 762 C THR A 51 -9.947 6.145 -1.465 1.00 0.00 C ATOM 763 O THR A 51 -9.563 6.496 -2.579 1.00 0.00 O ATOM 764 CB THR A 51 -12.351 5.781 -0.891 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.591 6.457 -0.649 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.171 4.668 0.130 1.00 0.00 C ATOM 0 H THR A 51 -11.107 8.121 -2.442 1.00 0.00 H new ATOM 0 HA THR A 51 -10.974 7.024 0.209 1.00 0.00 H new ATOM 0 HB THR A 51 -12.365 5.339 -1.887 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.450 7.177 0.000 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.012 3.977 0.067 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.244 4.132 -0.076 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.128 5.096 1.131 1.00 0.00 H new ATOM 774 N ASP A 52 -9.335 5.201 -0.758 1.00 0.00 N ATOM 775 CA ASP A 52 -8.154 4.511 -1.263 1.00 0.00 C ATOM 776 C ASP A 52 -8.463 3.040 -1.476 1.00 0.00 C ATOM 777 O ASP A 52 -8.255 2.214 -0.587 1.00 0.00 O ATOM 778 CB ASP A 52 -6.986 4.669 -0.290 1.00 0.00 C ATOM 779 CG ASP A 52 -6.675 6.122 0.008 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.525 6.907 -0.952 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.579 6.476 1.202 1.00 0.00 O ATOM 0 H ASP A 52 -9.638 4.896 0.167 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.872 4.955 -2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.219 4.152 0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.101 4.189 -0.708 1.00 0.00 H new ATOM 786 N TYR A 53 -8.980 2.723 -2.655 1.00 0.00 N ATOM 787 CA TYR A 53 -9.339 1.354 -2.975 1.00 0.00 C ATOM 788 C TYR A 53 -8.155 0.561 -3.515 1.00 0.00 C ATOM 789 O TYR A 53 -8.030 0.354 -4.719 1.00 0.00 O ATOM 790 CB TYR A 53 -10.477 1.314 -3.991 1.00 0.00 C ATOM 791 CG TYR A 53 -11.834 1.663 -3.423 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.234 2.986 -3.282 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.722 0.666 -3.038 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.478 3.303 -2.772 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.968 0.976 -2.528 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.341 2.296 -2.397 1.00 0.00 C ATOM 797 OH TYR A 53 -15.581 2.610 -1.889 1.00 0.00 O ATOM 0 H TYR A 53 -9.159 3.395 -3.402 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.664 0.891 -2.043 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.248 2.005 -4.802 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.525 0.316 -4.426 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.562 3.779 -3.576 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.433 -0.370 -3.139 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.773 4.337 -2.667 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.646 0.188 -2.234 1.00 0.00 H new ATOM 0 HH TYR A 53 -16.065 1.785 -1.675 1.00 0.00 H new ATOM 807 N GLY A 54 -7.289 0.117 -2.620 1.00 0.00 N ATOM 808 CA GLY A 54 -6.153 -0.671 -3.068 1.00 0.00 C ATOM 809 C GLY A 54 -4.940 -0.646 -2.167 1.00 0.00 C ATOM 810 O GLY A 54 -4.927 -0.005 -1.117 1.00 0.00 O ATOM 0 H GLY A 54 -7.344 0.280 -1.615 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.475 -1.706 -3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.856 -0.318 -4.055 1.00 0.00 H new ATOM 814 N ILE A 55 -3.909 -1.353 -2.624 1.00 0.00 N ATOM 815 CA ILE A 55 -2.642 -1.444 -1.920 1.00 0.00 C ATOM 816 C ILE A 55 -1.818 -0.192 -2.193 1.00 0.00 C ATOM 817 O ILE A 55 -0.900 0.146 -1.445 1.00 0.00 O ATOM 818 CB ILE A 55 -1.842 -2.681 -2.378 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.689 -2.967 -1.418 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.319 -2.472 -3.792 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.054 -4.245 -1.740 1.00 0.00 C ATOM 0 H ILE A 55 -3.934 -1.879 -3.497 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.850 -1.536 -0.854 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.508 -3.544 -2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.011 -2.132 -1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.078 -3.027 -0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.756 -3.351 -4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.158 -2.317 -4.471 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.668 -1.598 -3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.860 -4.388 -1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.634 -5.089 -1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.472 -4.180 -2.745 1.00 0.00 H new ATOM 833 N LEU A 56 -2.183 0.504 -3.267 1.00 0.00 N ATOM 834 CA LEU A 56 -1.519 1.739 -3.653 1.00 0.00 C ATOM 835 C LEU A 56 -2.517 2.888 -3.582 1.00 0.00 C ATOM 836 O LEU A 56 -2.235 4.001 -4.028 1.00 0.00 O ATOM 837 CB LEU A 56 -0.927 1.637 -5.070 1.00 0.00 C ATOM 838 CG LEU A 56 0.563 2.008 -5.197 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.889 3.231 -4.353 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.437 0.831 -4.789 1.00 0.00 C ATOM 0 H LEU A 56 -2.943 0.227 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.695 1.922 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.061 0.616 -5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.502 2.284 -5.732 1.00 0.00 H new ATOM 0 HG LEU A 56 0.769 2.250 -6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.946 3.474 -4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.287 4.076 -4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.668 3.021 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.487 1.108 -4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.225 0.562 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.226 -0.020 -5.436 1.00 0.00 H new ATOM 852 N GLN A 57 -3.687 2.603 -2.999 1.00 0.00 N ATOM 853 CA GLN A 57 -4.749 3.593 -2.834 1.00 0.00 C ATOM 854 C GLN A 57 -5.382 3.989 -4.166 1.00 0.00 C ATOM 855 O GLN A 57 -5.162 5.098 -4.651 1.00 0.00 O ATOM 856 CB GLN A 57 -4.206 4.839 -2.128 1.00 0.00 C ATOM 857 CG GLN A 57 -3.533 4.540 -0.798 1.00 0.00 C ATOM 858 CD GLN A 57 -3.277 5.790 0.020 1.00 0.00 C ATOM 859 OE1 GLN A 57 -3.730 5.904 1.158 1.00 0.00 O ATOM 860 NE2 GLN A 57 -2.547 6.737 -0.558 1.00 0.00 N ATOM 0 H GLN A 57 -3.921 1.681 -2.630 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.526 3.133 -2.223 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.491 5.336 -2.784 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.025 5.538 -1.962 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.159 3.857 -0.224 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.587 4.030 -0.980 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.191 6.600 -1.504 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.342 7.601 -0.056 1.00 0.00 H new ATOM 869 N ILE A 58 -6.177 3.092 -4.762 1.00 0.00 N ATOM 870 CA ILE A 58 -6.820 3.402 -6.026 1.00 0.00 C ATOM 871 C ILE A 58 -8.111 4.156 -5.780 1.00 0.00 C ATOM 872 O ILE A 58 -9.178 3.558 -5.637 1.00 0.00 O ATOM 873 CB ILE A 58 -7.102 2.133 -6.852 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.855 1.245 -6.909 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.561 2.504 -8.254 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.561 2.017 -7.075 1.00 0.00 C ATOM 0 H ILE A 58 -6.383 2.164 -4.391 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.135 4.026 -6.600 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.901 1.572 -6.367 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.800 0.654 -5.995 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.957 0.544 -7.737 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.756 1.596 -8.825 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.473 3.098 -8.193 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.783 3.084 -8.750 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.723 1.320 -7.107 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.594 2.587 -8.003 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.434 2.699 -6.234 1.00 0.00 H new ATOM 888 N ASN A 59 -8.000 5.475 -5.718 1.00 0.00 N ATOM 889 CA ASN A 59 -9.149 6.328 -5.478 1.00 0.00 C ATOM 890 C ASN A 59 -10.231 6.076 -6.516 1.00 0.00 C ATOM 891 O ASN A 59 -10.169 6.602 -7.627 1.00 0.00 O ATOM 892 CB ASN A 59 -8.720 7.794 -5.512 1.00 0.00 C ATOM 893 CG ASN A 59 -9.843 8.742 -5.138 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.953 8.316 -4.821 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.556 10.038 -5.172 1.00 0.00 N ATOM 0 H ASN A 59 -7.120 5.977 -5.832 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.557 6.095 -4.494 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.884 7.940 -4.828 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.360 8.040 -6.511 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.270 10.725 -4.929 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.622 10.347 -5.441 1.00 0.00 H new ATOM 902 N SER A 60 -11.225 5.275 -6.150 1.00 0.00 N ATOM 903 CA SER A 60 -12.325 4.965 -7.058 1.00 0.00 C ATOM 904 C SER A 60 -13.124 6.219 -7.402 1.00 0.00 C ATOM 905 O SER A 60 -13.964 6.203 -8.298 1.00 0.00 O ATOM 906 CB SER A 60 -13.246 3.914 -6.436 1.00 0.00 C ATOM 907 OG SER A 60 -14.235 4.520 -5.622 1.00 0.00 O ATOM 0 H SER A 60 -11.293 4.830 -5.235 1.00 0.00 H new ATOM 0 HA SER A 60 -11.899 4.567 -7.979 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.725 3.334 -7.224 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.657 3.217 -5.840 1.00 0.00 H new ATOM 0 HG SER A 60 -14.120 4.226 -4.694 1.00 0.00 H new ATOM 913 N ARG A 61 -12.855 7.308 -6.691 1.00 0.00 N ATOM 914 CA ARG A 61 -13.546 8.567 -6.940 1.00 0.00 C ATOM 915 C ARG A 61 -12.631 9.520 -7.698 1.00 0.00 C ATOM 916 O ARG A 61 -12.782 10.740 -7.627 1.00 0.00 O ATOM 917 CB ARG A 61 -13.991 9.203 -5.621 1.00 0.00 C ATOM 918 CG ARG A 61 -15.255 10.039 -5.746 1.00 0.00 C ATOM 919 CD ARG A 61 -14.973 11.514 -5.511 1.00 0.00 C ATOM 920 NE ARG A 61 -16.202 12.286 -5.344 1.00 0.00 N ATOM 921 CZ ARG A 61 -16.233 13.613 -5.252 1.00 0.00 C ATOM 922 NH1 ARG A 61 -15.107 14.312 -5.309 1.00 0.00 N ATOM 923 NH2 ARG A 61 -17.391 14.241 -5.101 1.00 0.00 N ATOM 0 H ARG A 61 -12.166 7.345 -5.940 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.431 8.367 -7.544 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.157 8.416 -4.885 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.186 9.831 -5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.685 9.903 -6.738 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.996 9.690 -5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.350 11.627 -4.624 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.405 11.913 -6.352 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.086 11.779 -5.295 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.214 13.832 -5.424 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.134 15.329 -5.238 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -18.259 13.707 -5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.414 15.258 -5.031 1.00 0.00 H new ATOM 937 N TRP A 62 -11.677 8.944 -8.423 1.00 0.00 N ATOM 938 CA TRP A 62 -10.730 9.740 -9.195 1.00 0.00 C ATOM 939 C TRP A 62 -10.015 8.938 -10.287 1.00 0.00 C ATOM 940 O TRP A 62 -9.348 9.527 -11.136 1.00 0.00 O ATOM 941 CB TRP A 62 -9.692 10.365 -8.261 1.00 0.00 C ATOM 942 CG TRP A 62 -9.635 11.859 -8.351 1.00 0.00 C ATOM 943 CD1 TRP A 62 -10.344 12.753 -7.602 1.00 0.00 C ATOM 944 CD2 TRP A 62 -8.824 12.634 -9.242 1.00 0.00 C ATOM 945 NE1 TRP A 62 -10.024 14.037 -7.972 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.093 13.991 -8.976 1.00 0.00 C ATOM 947 CE3 TRP A 62 -7.897 12.315 -10.237 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -8.468 15.024 -9.670 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -7.276 13.340 -10.924 1.00 0.00 C ATOM 950 CH2 TRP A 62 -7.564 14.681 -10.638 1.00 0.00 C ATOM 0 H TRP A 62 -11.540 7.936 -8.492 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.311 10.515 -9.696 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.919 10.079 -7.234 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.709 9.956 -8.496 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -11.053 12.490 -6.831 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.416 14.886 -7.565 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -7.670 11.284 -10.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -8.689 16.058 -9.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -6.557 13.104 -11.694 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -7.062 15.460 -11.193 1.00 0.00 H new ATOM 961 N TRP A 63 -10.126 7.608 -10.269 1.00 0.00 N ATOM 962 CA TRP A 63 -9.442 6.799 -11.277 1.00 0.00 C ATOM 963 C TRP A 63 -10.310 5.680 -11.845 1.00 0.00 C ATOM 964 O TRP A 63 -10.004 5.149 -12.910 1.00 0.00 O ATOM 965 CB TRP A 63 -8.159 6.197 -10.699 1.00 0.00 C ATOM 966 CG TRP A 63 -7.179 7.225 -10.221 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.655 7.359 -8.966 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.613 8.271 -11.005 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.788 8.426 -8.931 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.748 9.004 -10.174 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.757 8.653 -12.334 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -5.028 10.103 -10.638 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.051 9.737 -12.796 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.194 10.457 -11.952 1.00 0.00 C ATOM 0 H TRP A 63 -10.669 7.080 -9.586 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.208 7.477 -12.098 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.417 5.539 -9.869 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.683 5.578 -11.460 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.887 6.721 -8.126 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.261 8.736 -8.115 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.414 8.106 -12.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.365 10.654 -9.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.158 10.040 -13.827 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.654 11.306 -12.344 1.00 0.00 H new ATOM 985 N CYS A 64 -11.382 5.302 -11.158 1.00 0.00 N ATOM 986 CA CYS A 64 -12.220 4.226 -11.674 1.00 0.00 C ATOM 987 C CYS A 64 -13.697 4.455 -11.401 1.00 0.00 C ATOM 988 O CYS A 64 -14.072 5.129 -10.446 1.00 0.00 O ATOM 989 CB CYS A 64 -11.787 2.877 -11.086 1.00 0.00 C ATOM 990 SG CYS A 64 -12.651 2.393 -9.552 1.00 0.00 S ATOM 0 H CYS A 64 -11.685 5.708 -10.273 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.084 4.215 -12.755 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.947 2.102 -11.836 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.716 2.911 -10.887 1.00 0.00 H new ATOM 995 N ASN A 65 -14.531 3.879 -12.259 1.00 0.00 N ATOM 996 CA ASN A 65 -15.977 4.007 -12.125 1.00 0.00 C ATOM 997 C ASN A 65 -16.543 2.864 -11.291 1.00 0.00 C ATOM 998 O ASN A 65 -16.705 1.746 -11.782 1.00 0.00 O ATOM 999 CB ASN A 65 -16.639 4.028 -13.504 1.00 0.00 C ATOM 1000 CG ASN A 65 -18.124 4.326 -13.427 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.951 3.415 -13.414 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.468 5.608 -13.377 1.00 0.00 N ATOM 0 H ASN A 65 -14.230 3.318 -13.056 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.191 4.947 -11.616 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.152 4.779 -14.126 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.489 3.064 -13.991 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.452 5.870 -13.325 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.748 6.330 -13.390 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.843 3.152 -10.030 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.391 2.147 -9.126 1.00 0.00 C ATOM 1011 C ASP A 66 -18.906 2.281 -9.018 1.00 0.00 C ATOM 1012 O ASP A 66 -19.598 1.330 -8.655 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.750 2.271 -7.743 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.200 3.517 -7.005 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.323 4.578 -7.650 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.428 3.430 -5.779 1.00 0.00 O ATOM 0 H ASP A 66 -16.716 4.073 -9.610 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.163 1.162 -9.534 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.000 1.391 -7.150 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.665 2.287 -7.849 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.415 3.465 -9.344 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.847 3.701 -9.287 1.00 0.00 C ATOM 1023 C GLY A 67 -21.353 3.931 -7.875 1.00 0.00 C ATOM 1024 O GLY A 67 -22.454 4.449 -7.683 1.00 0.00 O ATOM 0 H GLY A 67 -18.861 4.266 -9.647 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.092 4.568 -9.901 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.368 2.847 -9.719 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.557 3.543 -6.883 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.941 3.711 -5.486 1.00 0.00 C ATOM 1030 C ARG A 68 -20.553 5.092 -4.971 1.00 0.00 C ATOM 1031 O ARG A 68 -20.895 5.465 -3.849 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.287 2.631 -4.624 1.00 0.00 C ATOM 1033 CG ARG A 68 -21.108 2.248 -3.402 1.00 0.00 C ATOM 1034 CD ARG A 68 -20.249 1.579 -2.341 1.00 0.00 C ATOM 1035 NE ARG A 68 -21.048 0.790 -1.407 1.00 0.00 N ATOM 1036 CZ ARG A 68 -20.790 -0.479 -1.105 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -19.757 -1.100 -1.659 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -21.564 -1.128 -0.246 1.00 0.00 N ATOM 0 H ARG A 68 -19.643 3.111 -7.021 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.025 3.614 -5.422 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -20.121 1.742 -5.233 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.308 2.981 -4.298 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.577 3.139 -2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -21.912 1.574 -3.699 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.514 0.935 -2.823 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -19.695 2.339 -1.791 1.00 0.00 H new ATOM 0 HE ARG A 68 -21.849 1.238 -0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -19.158 -0.604 -2.319 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -19.562 -2.073 -1.425 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -22.358 -0.654 0.184 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -21.365 -2.101 -0.015 1.00 0.00 H new ATOM 1052 N THR A 69 -19.834 5.849 -5.796 1.00 0.00 N ATOM 1053 CA THR A 69 -19.401 7.189 -5.419 1.00 0.00 C ATOM 1054 C THR A 69 -19.386 8.126 -6.625 1.00 0.00 C ATOM 1055 O THR A 69 -18.512 8.027 -7.487 1.00 0.00 O ATOM 1056 CB THR A 69 -17.997 7.167 -4.786 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.819 5.965 -4.027 1.00 0.00 O ATOM 1058 CG2 THR A 69 -17.792 8.376 -3.884 1.00 0.00 C ATOM 0 H THR A 69 -19.540 5.557 -6.728 1.00 0.00 H new ATOM 0 HA THR A 69 -20.119 7.557 -4.686 1.00 0.00 H new ATOM 0 HB THR A 69 -17.260 7.201 -5.589 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.671 5.212 -4.637 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.794 8.339 -3.448 1.00 0.00 H new ATOM 0 HG22 THR A 69 -17.899 9.289 -4.470 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.536 8.366 -3.088 1.00 0.00 H new ATOM 1066 N PRO A 70 -20.358 9.054 -6.702 1.00 0.00 N ATOM 1067 CA PRO A 70 -20.448 10.011 -7.810 1.00 0.00 C ATOM 1068 C PRO A 70 -19.348 11.065 -7.755 1.00 0.00 C ATOM 1069 O PRO A 70 -18.518 11.062 -6.845 1.00 0.00 O ATOM 1070 CB PRO A 70 -21.819 10.658 -7.607 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.082 10.536 -6.146 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.441 9.244 -5.717 1.00 0.00 C ATOM 0 HA PRO A 70 -20.329 9.527 -8.779 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -21.815 11.701 -7.923 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -22.587 10.151 -8.191 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -21.660 11.381 -5.602 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.153 10.527 -5.941 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.053 9.307 -4.700 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.151 8.417 -5.737 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.348 11.964 -8.733 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.344 13.013 -8.778 1.00 0.00 C ATOM 1082 C GLY A 71 -16.948 12.469 -9.012 1.00 0.00 C ATOM 1083 O GLY A 71 -15.957 13.155 -8.761 1.00 0.00 O ATOM 0 H GLY A 71 -20.025 11.986 -9.496 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.594 13.717 -9.571 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.362 13.569 -7.841 1.00 0.00 H new ATOM 1087 N SER A 72 -16.871 11.233 -9.495 1.00 0.00 N ATOM 1088 CA SER A 72 -15.590 10.594 -9.763 1.00 0.00 C ATOM 1089 C SER A 72 -15.075 10.972 -11.148 1.00 0.00 C ATOM 1090 O SER A 72 -15.825 10.964 -12.124 1.00 0.00 O ATOM 1091 CB SER A 72 -15.723 9.074 -9.654 1.00 0.00 C ATOM 1092 OG SER A 72 -14.541 8.426 -10.092 1.00 0.00 O ATOM 0 H SER A 72 -17.683 10.654 -9.709 1.00 0.00 H new ATOM 0 HA SER A 72 -14.874 10.944 -9.020 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.932 8.797 -8.621 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.570 8.736 -10.252 1.00 0.00 H new ATOM 0 HG SER A 72 -14.381 7.631 -9.542 1.00 0.00 H new ATOM 1098 N ARG A 73 -13.790 11.297 -11.223 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.169 11.673 -12.488 1.00 0.00 C ATOM 1100 C ARG A 73 -13.204 10.506 -13.469 1.00 0.00 C ATOM 1101 O ARG A 73 -13.444 10.691 -14.662 1.00 0.00 O ATOM 1102 CB ARG A 73 -11.724 12.121 -12.260 1.00 0.00 C ATOM 1103 CG ARG A 73 -11.311 13.306 -13.116 1.00 0.00 C ATOM 1104 CD ARG A 73 -10.896 14.493 -12.262 1.00 0.00 C ATOM 1105 NE ARG A 73 -11.154 15.766 -12.929 1.00 0.00 N ATOM 1106 CZ ARG A 73 -10.198 16.553 -13.413 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -8.924 16.198 -13.304 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -10.514 17.696 -14.007 1.00 0.00 N ATOM 0 H ARG A 73 -13.157 11.308 -10.423 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.733 12.504 -12.912 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.595 12.380 -11.209 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.056 11.284 -12.466 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.484 13.017 -13.765 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.139 13.594 -13.764 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.436 14.464 -11.315 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.835 14.416 -12.026 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.123 16.069 -13.029 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.677 15.320 -12.848 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.192 16.803 -13.676 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.492 17.973 -14.093 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.779 18.298 -14.378 1.00 0.00 H new ATOM 1122 N ASN A 74 -12.971 9.305 -12.948 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.980 8.093 -13.764 1.00 0.00 C ATOM 1124 C ASN A 74 -11.996 8.229 -14.907 1.00 0.00 C ATOM 1125 O ASN A 74 -12.194 7.676 -15.990 1.00 0.00 O ATOM 1126 CB ASN A 74 -14.385 7.819 -14.303 1.00 0.00 C ATOM 1127 CG ASN A 74 -14.544 6.399 -14.812 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.801 5.499 -14.419 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -15.517 6.191 -15.692 1.00 0.00 N ATOM 0 H ASN A 74 -12.773 9.144 -11.961 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.681 7.251 -13.140 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.115 8.003 -13.515 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.604 8.518 -15.110 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.672 5.256 -16.070 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.109 6.966 -15.990 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.922 8.953 -14.640 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.876 9.158 -15.609 1.00 0.00 C ATOM 1138 C LEU A 75 -9.395 7.831 -16.130 1.00 0.00 C ATOM 1139 O LEU A 75 -9.778 7.377 -17.209 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.728 9.873 -14.917 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.788 11.398 -15.004 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.551 12.032 -14.390 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.956 11.851 -16.448 1.00 0.00 C ATOM 0 H LEU A 75 -10.757 9.412 -13.744 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.249 9.750 -16.445 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.715 9.582 -13.867 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.789 9.533 -15.354 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.656 11.729 -14.434 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.622 13.117 -14.467 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.478 11.746 -13.341 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.664 11.688 -14.922 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.996 12.940 -16.485 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.112 11.498 -17.040 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.881 11.440 -16.853 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.550 7.234 -15.322 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.960 5.948 -15.591 1.00 0.00 C ATOM 1157 C CYS A 76 -8.953 5.003 -16.266 1.00 0.00 C ATOM 1158 O CYS A 76 -8.561 4.111 -17.018 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.521 5.378 -14.266 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.744 5.011 -14.131 1.00 0.00 S ATOM 0 H CYS A 76 -8.248 7.642 -14.437 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.118 6.061 -16.274 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.791 6.082 -13.479 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.080 4.461 -14.080 1.00 0.00 H new ATOM 1165 N ASN A 77 -10.242 5.214 -15.989 1.00 0.00 N ATOM 1166 CA ASN A 77 -11.299 4.390 -16.563 1.00 0.00 C ATOM 1167 C ASN A 77 -10.939 2.918 -16.450 1.00 0.00 C ATOM 1168 O ASN A 77 -10.726 2.238 -17.454 1.00 0.00 O ATOM 1169 CB ASN A 77 -11.531 4.765 -18.029 1.00 0.00 C ATOM 1170 CG ASN A 77 -12.884 4.305 -18.537 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -13.925 4.765 -18.066 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.876 3.393 -19.501 1.00 0.00 N ATOM 0 H ASN A 77 -10.576 5.952 -15.368 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.219 4.570 -16.007 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.452 5.846 -18.141 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.746 4.323 -18.643 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.756 3.045 -19.881 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.990 3.040 -19.861 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.853 2.433 -15.216 1.00 0.00 N ATOM 1180 CA ILE A 78 -10.495 1.047 -14.978 1.00 0.00 C ATOM 1181 C ILE A 78 -11.540 0.332 -14.122 1.00 0.00 C ATOM 1182 O ILE A 78 -12.016 0.879 -13.132 1.00 0.00 O ATOM 1183 CB ILE A 78 -9.099 0.939 -14.312 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -9.186 0.405 -12.866 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -8.409 2.289 -14.353 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -8.842 1.424 -11.796 1.00 0.00 C ATOM 0 H ILE A 78 -11.026 2.979 -14.372 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.460 0.555 -15.950 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.509 0.217 -14.877 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.197 0.038 -12.688 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.515 -0.448 -12.766 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.428 2.211 -13.884 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.292 2.606 -15.389 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.011 3.022 -13.815 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.930 0.962 -10.812 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.820 1.775 -11.943 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.529 2.268 -11.863 1.00 0.00 H new ATOM 1198 N PRO A 79 -11.895 -0.916 -14.470 1.00 0.00 N ATOM 1199 CA PRO A 79 -12.857 -1.688 -13.686 1.00 0.00 C ATOM 1200 C PRO A 79 -12.240 -2.068 -12.346 1.00 0.00 C ATOM 1201 O PRO A 79 -11.350 -2.913 -12.287 1.00 0.00 O ATOM 1202 CB PRO A 79 -13.113 -2.927 -14.545 1.00 0.00 C ATOM 1203 CG PRO A 79 -11.883 -3.074 -15.376 1.00 0.00 C ATOM 1204 CD PRO A 79 -11.371 -1.679 -15.618 1.00 0.00 C ATOM 0 HA PRO A 79 -13.774 -1.144 -13.462 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.281 -3.809 -13.927 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.999 -2.801 -15.168 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -11.136 -3.679 -14.862 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -12.107 -3.575 -16.318 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -10.282 -1.652 -15.655 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -11.732 -1.278 -16.565 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.689 -1.423 -11.278 1.00 0.00 N ATOM 1213 CA CYS A 80 -12.140 -1.680 -9.952 1.00 0.00 C ATOM 1214 C CYS A 80 -12.463 -3.087 -9.442 1.00 0.00 C ATOM 1215 O CYS A 80 -11.556 -3.858 -9.133 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.639 -0.617 -8.965 1.00 0.00 C ATOM 1217 SG CYS A 80 -11.546 0.842 -8.835 1.00 0.00 S ATOM 0 H CYS A 80 -13.429 -0.721 -11.302 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.055 -1.621 -10.032 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.632 -0.289 -9.271 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.743 -1.070 -7.979 1.00 0.00 H new ATOM 1222 N SER A 81 -13.747 -3.409 -9.331 1.00 0.00 N ATOM 1223 CA SER A 81 -14.181 -4.716 -8.826 1.00 0.00 C ATOM 1224 C SER A 81 -13.417 -5.889 -9.449 1.00 0.00 C ATOM 1225 O SER A 81 -13.009 -6.810 -8.742 1.00 0.00 O ATOM 1226 CB SER A 81 -15.680 -4.895 -9.067 1.00 0.00 C ATOM 1227 OG SER A 81 -16.048 -4.444 -10.359 1.00 0.00 O ATOM 0 H SER A 81 -14.512 -2.783 -9.584 1.00 0.00 H new ATOM 0 HA SER A 81 -13.962 -4.726 -7.758 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.946 -5.946 -8.956 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.241 -4.343 -8.313 1.00 0.00 H new ATOM 0 HG SER A 81 -17.011 -4.571 -10.488 1.00 0.00 H new ATOM 1233 N ALA A 82 -13.241 -5.867 -10.766 1.00 0.00 N ATOM 1234 CA ALA A 82 -12.544 -6.954 -11.461 1.00 0.00 C ATOM 1235 C ALA A 82 -11.026 -6.827 -11.338 1.00 0.00 C ATOM 1236 O ALA A 82 -10.290 -7.786 -11.572 1.00 0.00 O ATOM 1237 CB ALA A 82 -12.952 -6.985 -12.926 1.00 0.00 C ATOM 0 H ALA A 82 -13.567 -5.116 -11.374 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.835 -7.890 -10.985 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.428 -7.796 -13.432 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.028 -7.145 -13.001 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -12.693 -6.036 -13.396 1.00 0.00 H new ATOM 1243 N LEU A 83 -10.574 -5.636 -10.983 1.00 0.00 N ATOM 1244 CA LEU A 83 -9.145 -5.378 -10.844 1.00 0.00 C ATOM 1245 C LEU A 83 -8.702 -5.367 -9.382 1.00 0.00 C ATOM 1246 O LEU A 83 -7.522 -5.182 -9.086 1.00 0.00 O ATOM 1247 CB LEU A 83 -8.775 -4.072 -11.540 1.00 0.00 C ATOM 1248 CG LEU A 83 -8.744 -4.166 -13.068 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -8.787 -2.785 -13.700 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -7.511 -4.928 -13.529 1.00 0.00 C ATOM 0 H LEU A 83 -11.171 -4.833 -10.786 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.612 -6.197 -11.327 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.489 -3.302 -11.248 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.796 -3.749 -11.186 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.630 -4.712 -13.392 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.764 -2.881 -14.786 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.703 -2.276 -13.400 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.925 -2.206 -13.368 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.505 -4.986 -14.617 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.615 -4.410 -13.188 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.529 -5.935 -13.113 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.648 -5.579 -8.473 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.344 -5.607 -7.044 1.00 0.00 C ATOM 1264 C LEU A 84 -9.222 -7.045 -6.555 1.00 0.00 C ATOM 1265 O LEU A 84 -8.974 -7.295 -5.377 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.432 -4.878 -6.258 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.496 -3.376 -6.511 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.860 -2.824 -6.127 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.391 -2.659 -5.751 1.00 0.00 C ATOM 0 H LEU A 84 -10.631 -5.734 -8.698 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.392 -5.100 -6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.398 -5.317 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.269 -5.048 -5.194 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.347 -3.201 -7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.884 -1.751 -6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.631 -3.314 -6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.043 -3.011 -5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.453 -1.588 -5.944 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.506 -2.843 -4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.421 -3.032 -6.081 1.00 0.00 H new ATOM 1281 N SER A 85 -9.434 -7.978 -7.476 1.00 0.00 N ATOM 1282 CA SER A 85 -9.384 -9.407 -7.164 1.00 0.00 C ATOM 1283 C SER A 85 -7.955 -9.910 -6.944 1.00 0.00 C ATOM 1284 O SER A 85 -7.538 -10.904 -7.539 1.00 0.00 O ATOM 1285 CB SER A 85 -10.059 -10.217 -8.271 1.00 0.00 C ATOM 1286 OG SER A 85 -11.040 -11.091 -7.739 1.00 0.00 O ATOM 0 H SER A 85 -9.644 -7.771 -8.453 1.00 0.00 H new ATOM 0 HA SER A 85 -9.924 -9.546 -6.228 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.522 -9.541 -8.990 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.309 -10.794 -8.813 1.00 0.00 H new ATOM 0 HG SER A 85 -11.458 -11.596 -8.468 1.00 0.00 H new ATOM 1292 N SER A 86 -7.224 -9.215 -6.081 1.00 0.00 N ATOM 1293 CA SER A 86 -5.843 -9.568 -5.750 1.00 0.00 C ATOM 1294 C SER A 86 -4.940 -9.256 -6.923 1.00 0.00 C ATOM 1295 O SER A 86 -3.963 -9.957 -7.188 1.00 0.00 O ATOM 1296 CB SER A 86 -5.732 -11.048 -5.370 1.00 0.00 C ATOM 1297 OG SER A 86 -4.785 -11.238 -4.332 1.00 0.00 O ATOM 0 H SER A 86 -7.569 -8.391 -5.589 1.00 0.00 H new ATOM 0 HA SER A 86 -5.530 -8.976 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.706 -11.419 -5.051 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.440 -11.630 -6.244 1.00 0.00 H new ATOM 0 HG SER A 86 -4.615 -12.196 -4.216 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.307 -8.208 -7.635 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.582 -7.780 -8.811 1.00 0.00 C ATOM 1305 C ASP A 87 -4.116 -6.337 -8.665 1.00 0.00 C ATOM 1306 O ASP A 87 -4.936 -5.428 -8.534 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.512 -7.914 -10.007 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.797 -7.741 -11.332 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.841 -8.500 -11.594 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.192 -6.847 -12.108 1.00 0.00 O ATOM 0 H ASP A 87 -6.117 -7.630 -7.412 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.695 -8.399 -8.946 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.989 -8.894 -9.982 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.306 -7.171 -9.929 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.803 -6.120 -8.686 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.264 -4.772 -8.552 1.00 0.00 C ATOM 1317 C ILE A 88 -2.076 -4.112 -9.908 1.00 0.00 C ATOM 1318 O ILE A 88 -1.798 -2.919 -9.981 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.912 -4.754 -7.813 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.126 -6.039 -8.081 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.131 -4.557 -6.323 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.375 -5.847 -8.037 1.00 0.00 C ATOM 0 H ILE A 88 -2.101 -6.852 -8.793 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.997 -4.217 -7.967 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.324 -3.918 -8.191 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.410 -6.790 -7.344 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.406 -6.430 -9.059 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.168 -4.546 -5.812 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.643 -3.610 -6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.739 -5.373 -5.934 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.869 -6.798 -8.236 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.671 -5.119 -8.793 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.667 -5.485 -7.051 1.00 0.00 H new ATOM 1334 N THR A 89 -2.221 -4.890 -10.978 1.00 0.00 N ATOM 1335 CA THR A 89 -2.060 -4.361 -12.328 1.00 0.00 C ATOM 1336 C THR A 89 -2.757 -3.015 -12.467 1.00 0.00 C ATOM 1337 O THR A 89 -2.147 -2.036 -12.882 1.00 0.00 O ATOM 1338 CB THR A 89 -2.617 -5.330 -13.387 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.252 -6.676 -13.060 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.091 -4.980 -14.771 1.00 0.00 C ATOM 0 H THR A 89 -2.448 -5.883 -10.936 1.00 0.00 H new ATOM 0 HA THR A 89 -0.990 -4.237 -12.496 1.00 0.00 H new ATOM 0 HB THR A 89 -3.703 -5.239 -13.394 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.611 -7.286 -13.737 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.498 -5.678 -15.502 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.394 -3.966 -15.030 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.003 -5.045 -14.774 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.036 -2.972 -12.115 1.00 0.00 N ATOM 1349 CA ALA A 90 -4.805 -1.750 -12.195 1.00 0.00 C ATOM 1350 C ALA A 90 -4.221 -0.673 -11.292 1.00 0.00 C ATOM 1351 O ALA A 90 -4.150 0.498 -11.667 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.252 -2.012 -11.820 1.00 0.00 C ATOM 0 H ALA A 90 -4.559 -3.777 -11.770 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.761 -1.394 -13.224 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.819 -1.083 -11.885 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.678 -2.745 -12.504 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.300 -2.396 -10.801 1.00 0.00 H new ATOM 1358 N SER A 91 -3.807 -1.081 -10.097 1.00 0.00 N ATOM 1359 CA SER A 91 -3.230 -0.160 -9.127 1.00 0.00 C ATOM 1360 C SER A 91 -1.941 0.449 -9.649 1.00 0.00 C ATOM 1361 O SER A 91 -1.648 1.619 -9.399 1.00 0.00 O ATOM 1362 CB SER A 91 -2.967 -0.882 -7.804 1.00 0.00 C ATOM 1363 OG SER A 91 -4.141 -1.513 -7.325 1.00 0.00 O ATOM 0 H SER A 91 -3.861 -2.048 -9.777 1.00 0.00 H new ATOM 0 HA SER A 91 -3.946 0.645 -8.961 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.181 -1.625 -7.942 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.605 -0.169 -7.063 1.00 0.00 H new ATOM 0 HG SER A 91 -3.946 -1.969 -6.480 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.172 -0.348 -10.373 1.00 0.00 N ATOM 1370 CA VAL A 92 0.082 0.135 -10.915 1.00 0.00 C ATOM 1371 C VAL A 92 -0.123 0.877 -12.215 1.00 0.00 C ATOM 1372 O VAL A 92 0.383 1.969 -12.371 1.00 0.00 O ATOM 1373 CB VAL A 92 1.116 -0.974 -11.150 1.00 0.00 C ATOM 1374 CG1 VAL A 92 2.282 -0.413 -11.961 1.00 0.00 C ATOM 1375 CG2 VAL A 92 1.598 -1.549 -9.827 1.00 0.00 C ATOM 0 H VAL A 92 -1.392 -1.319 -10.595 1.00 0.00 H new ATOM 0 HA VAL A 92 0.472 0.809 -10.152 1.00 0.00 H new ATOM 0 HB VAL A 92 0.653 -1.786 -11.711 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.019 -1.198 -12.130 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.915 -0.047 -12.920 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.745 0.407 -11.413 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.330 -2.334 -10.017 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.058 -0.759 -9.233 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.752 -1.967 -9.282 1.00 0.00 H new ATOM 1385 N ASN A 93 -0.846 0.285 -13.152 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.081 0.924 -14.417 1.00 0.00 C ATOM 1387 C ASN A 93 -1.572 2.343 -14.202 1.00 0.00 C ATOM 1388 O ASN A 93 -1.121 3.286 -14.860 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.077 0.115 -15.228 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.287 0.918 -15.665 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -3.268 1.575 -16.705 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -4.349 0.868 -14.869 1.00 0.00 N ATOM 0 H ASN A 93 -1.275 -0.635 -13.052 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.146 0.972 -14.976 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.577 -0.285 -16.110 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.410 -0.738 -14.636 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.193 1.388 -15.111 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.321 0.310 -14.016 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.481 2.487 -13.252 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.021 3.785 -12.921 1.00 0.00 C ATOM 1401 C CYS A 94 -1.929 4.669 -12.338 1.00 0.00 C ATOM 1402 O CYS A 94 -1.754 5.809 -12.766 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.176 3.654 -11.934 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.435 4.951 -12.125 1.00 0.00 S ATOM 0 H CYS A 94 -2.858 1.717 -12.699 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.402 4.244 -13.833 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -4.646 2.679 -12.063 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -3.782 3.686 -10.918 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.192 4.143 -11.358 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.124 4.916 -10.742 1.00 0.00 C ATOM 1411 C ALA A 95 0.990 5.156 -11.741 1.00 0.00 C ATOM 1412 O ALA A 95 1.664 6.174 -11.694 1.00 0.00 O ATOM 1413 CB ALA A 95 0.410 4.243 -9.502 1.00 0.00 C ATOM 0 H ALA A 95 -1.315 3.203 -10.983 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.540 5.876 -10.437 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.206 4.851 -9.072 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.394 4.130 -8.775 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.805 3.261 -9.762 1.00 0.00 H new ATOM 1419 N LYS A 96 1.160 4.219 -12.662 1.00 0.00 N ATOM 1420 CA LYS A 96 2.168 4.349 -13.694 1.00 0.00 C ATOM 1421 C LYS A 96 1.931 5.688 -14.370 1.00 0.00 C ATOM 1422 O LYS A 96 2.853 6.448 -14.675 1.00 0.00 O ATOM 1423 CB LYS A 96 2.050 3.212 -14.712 1.00 0.00 C ATOM 1424 CG LYS A 96 3.358 2.477 -14.956 1.00 0.00 C ATOM 1425 CD LYS A 96 3.122 1.116 -15.590 1.00 0.00 C ATOM 1426 CE LYS A 96 3.610 1.079 -17.028 1.00 0.00 C ATOM 1427 NZ LYS A 96 2.520 1.389 -17.993 1.00 0.00 N ATOM 0 H LYS A 96 0.611 3.361 -12.713 1.00 0.00 H new ATOM 0 HA LYS A 96 3.169 4.296 -13.266 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.302 2.500 -14.364 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.689 3.617 -15.657 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.998 3.076 -15.605 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.888 2.353 -14.012 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.636 0.349 -15.010 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.059 0.879 -15.559 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.421 1.796 -17.154 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.019 0.093 -17.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.894 1.353 -18.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.757 0.690 -17.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.146 2.340 -17.801 1.00 0.00 H new ATOM 1441 N LYS A 97 0.643 5.968 -14.541 1.00 0.00 N ATOM 1442 CA LYS A 97 0.187 7.216 -15.125 1.00 0.00 C ATOM 1443 C LYS A 97 0.229 8.323 -14.079 1.00 0.00 C ATOM 1444 O LYS A 97 0.488 9.483 -14.400 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.230 7.067 -15.683 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.595 8.128 -16.708 1.00 0.00 C ATOM 1447 CD LYS A 97 -3.067 8.498 -16.626 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.801 8.151 -17.911 1.00 0.00 C ATOM 1449 NZ LYS A 97 -5.174 7.643 -17.646 1.00 0.00 N ATOM 0 H LYS A 97 -0.111 5.334 -14.277 1.00 0.00 H new ATOM 0 HA LYS A 97 0.851 7.478 -15.948 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.330 6.083 -16.140 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.942 7.109 -14.859 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.986 9.017 -16.546 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.366 7.763 -17.709 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.529 7.974 -15.789 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.164 9.565 -16.427 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.857 9.035 -18.547 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.235 7.399 -18.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.641 7.418 -18.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.120 6.785 -17.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.722 8.370 -17.144 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.005 7.953 -12.820 1.00 0.00 N ATOM 1464 CA ILE A 98 0.030 8.918 -11.732 1.00 0.00 C ATOM 1465 C ILE A 98 1.429 9.522 -11.621 1.00 0.00 C ATOM 1466 O ILE A 98 1.602 10.740 -11.609 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.379 8.290 -10.383 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.851 7.851 -10.421 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.153 9.281 -9.249 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.283 7.072 -9.196 1.00 0.00 C ATOM 0 H ILE A 98 -0.219 6.998 -12.534 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.695 9.699 -11.962 1.00 0.00 H new ATOM 0 HB ILE A 98 0.241 7.411 -10.207 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.482 8.734 -10.521 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.016 7.239 -11.308 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.446 8.825 -8.303 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.902 9.554 -9.209 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.753 10.175 -9.422 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.333 6.795 -9.292 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.677 6.171 -9.106 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.150 7.689 -8.307 1.00 0.00 H new ATOM 1482 N VAL A 99 2.416 8.638 -11.539 1.00 0.00 N ATOM 1483 CA VAL A 99 3.811 9.036 -11.427 1.00 0.00 C ATOM 1484 C VAL A 99 4.336 9.608 -12.741 1.00 0.00 C ATOM 1485 O VAL A 99 5.313 10.358 -12.753 1.00 0.00 O ATOM 1486 CB VAL A 99 4.699 7.861 -10.976 1.00 0.00 C ATOM 1487 CG1 VAL A 99 5.108 6.994 -12.157 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.920 8.376 -10.230 1.00 0.00 C ATOM 0 H VAL A 99 2.271 7.628 -11.548 1.00 0.00 H new ATOM 0 HA VAL A 99 3.856 9.816 -10.667 1.00 0.00 H new ATOM 0 HB VAL A 99 4.118 7.237 -10.297 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.734 6.173 -11.806 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.217 6.591 -12.638 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.667 7.596 -12.874 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.538 7.534 -9.918 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.499 9.027 -10.885 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.600 8.937 -9.352 1.00 0.00 H new ATOM 1498 N SER A 100 3.671 9.273 -13.847 1.00 0.00 N ATOM 1499 CA SER A 100 4.069 9.782 -15.155 1.00 0.00 C ATOM 1500 C SER A 100 3.377 11.113 -15.431 1.00 0.00 C ATOM 1501 O SER A 100 3.687 11.803 -16.403 1.00 0.00 O ATOM 1502 CB SER A 100 3.723 8.776 -16.253 1.00 0.00 C ATOM 1503 OG SER A 100 4.755 7.816 -16.409 1.00 0.00 O ATOM 0 H SER A 100 2.860 8.655 -13.862 1.00 0.00 H new ATOM 0 HA SER A 100 5.148 9.934 -15.152 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.788 8.273 -16.008 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.565 9.301 -17.195 1.00 0.00 H new ATOM 0 HG SER A 100 4.509 7.183 -17.116 1.00 0.00 H new ATOM 1509 N ASP A 101 2.436 11.463 -14.557 1.00 0.00 N ATOM 1510 CA ASP A 101 1.689 12.710 -14.684 1.00 0.00 C ATOM 1511 C ASP A 101 2.326 13.812 -13.843 1.00 0.00 C ATOM 1512 O ASP A 101 1.958 14.982 -13.954 1.00 0.00 O ATOM 1513 CB ASP A 101 0.234 12.505 -14.259 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.664 13.644 -14.701 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -1.110 13.628 -15.869 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -0.921 14.550 -13.881 1.00 0.00 O ATOM 0 H ASP A 101 2.173 10.897 -13.750 1.00 0.00 H new ATOM 0 HA ASP A 101 1.714 13.014 -15.730 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.136 11.570 -14.680 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.186 12.408 -13.174 1.00 0.00 H new ATOM 1521 N GLY A 102 3.283 13.429 -13.004 1.00 0.00 N ATOM 1522 CA GLY A 102 3.957 14.394 -12.155 1.00 0.00 C ATOM 1523 C GLY A 102 3.670 14.175 -10.684 1.00 0.00 C ATOM 1524 O GLY A 102 3.415 15.127 -9.946 1.00 0.00 O ATOM 0 H GLY A 102 3.604 12.467 -12.897 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.032 14.334 -12.325 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.646 15.400 -12.436 1.00 0.00 H new ATOM 1528 N ASN A 103 3.712 12.918 -10.255 1.00 0.00 N ATOM 1529 CA ASN A 103 3.455 12.574 -8.861 1.00 0.00 C ATOM 1530 C ASN A 103 4.271 11.355 -8.444 1.00 0.00 C ATOM 1531 O ASN A 103 3.872 10.216 -8.685 1.00 0.00 O ATOM 1532 CB ASN A 103 1.965 12.301 -8.647 1.00 0.00 C ATOM 1533 CG ASN A 103 1.147 13.577 -8.580 1.00 0.00 C ATOM 1534 OD1 ASN A 103 1.247 14.342 -7.621 1.00 0.00 O ATOM 1535 ND2 ASN A 103 0.332 13.811 -9.602 1.00 0.00 N ATOM 0 H ASN A 103 3.922 12.119 -10.854 1.00 0.00 H new ATOM 0 HA ASN A 103 3.755 13.420 -8.243 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.593 11.676 -9.459 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.831 11.738 -7.724 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.244 14.653 -9.613 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.282 13.149 -10.376 1.00 0.00 H new ATOM 1542 N GLY A 104 5.413 11.602 -7.811 1.00 0.00 N ATOM 1543 CA GLY A 104 6.265 10.514 -7.367 1.00 0.00 C ATOM 1544 C GLY A 104 5.700 9.795 -6.159 1.00 0.00 C ATOM 1545 O GLY A 104 4.487 9.646 -6.032 1.00 0.00 O ATOM 0 H GLY A 104 5.764 12.536 -7.598 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.395 9.802 -8.182 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.253 10.905 -7.124 1.00 0.00 H new ATOM 1549 N MET A 105 6.582 9.371 -5.260 1.00 0.00 N ATOM 1550 CA MET A 105 6.172 8.684 -4.047 1.00 0.00 C ATOM 1551 C MET A 105 5.636 9.693 -3.056 1.00 0.00 C ATOM 1552 O MET A 105 5.175 9.345 -1.968 1.00 0.00 O ATOM 1553 CB MET A 105 7.356 7.935 -3.433 1.00 0.00 C ATOM 1554 CG MET A 105 8.376 7.462 -4.454 1.00 0.00 C ATOM 1555 SD MET A 105 7.678 6.300 -5.642 1.00 0.00 S ATOM 1556 CE MET A 105 6.617 5.336 -4.572 1.00 0.00 C ATOM 0 H MET A 105 7.590 9.494 -5.352 1.00 0.00 H new ATOM 0 HA MET A 105 5.393 7.962 -4.293 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.851 8.585 -2.712 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.982 7.073 -2.880 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.778 8.324 -4.987 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.211 6.990 -3.936 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.450 4.354 -5.014 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.092 5.219 -3.598 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.662 5.847 -4.451 1.00 0.00 H new ATOM 1566 N ASN A 106 5.707 10.954 -3.453 1.00 0.00 N ATOM 1567 CA ASN A 106 5.242 12.051 -2.634 1.00 0.00 C ATOM 1568 C ASN A 106 3.719 12.088 -2.581 1.00 0.00 C ATOM 1569 O ASN A 106 3.135 12.384 -1.538 1.00 0.00 O ATOM 1570 CB ASN A 106 5.790 13.357 -3.201 1.00 0.00 C ATOM 1571 CG ASN A 106 7.121 13.745 -2.586 1.00 0.00 C ATOM 1572 OD1 ASN A 106 8.159 13.174 -2.917 1.00 0.00 O ATOM 1573 ND2 ASN A 106 7.095 14.720 -1.685 1.00 0.00 N ATOM 0 H ASN A 106 6.090 11.241 -4.354 1.00 0.00 H new ATOM 0 HA ASN A 106 5.601 11.914 -1.614 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.907 13.260 -4.280 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.068 14.155 -3.029 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.960 15.023 -1.237 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.210 15.166 -1.441 1.00 0.00 H new ATOM 1580 N ALA A 107 3.078 11.780 -3.708 1.00 0.00 N ATOM 1581 CA ALA A 107 1.621 11.774 -3.780 1.00 0.00 C ATOM 1582 C ALA A 107 1.036 10.944 -2.645 1.00 0.00 C ATOM 1583 O ALA A 107 0.129 11.386 -1.939 1.00 0.00 O ATOM 1584 CB ALA A 107 1.157 11.237 -5.126 1.00 0.00 C ATOM 0 H ALA A 107 3.545 11.532 -4.580 1.00 0.00 H new ATOM 0 HA ALA A 107 1.266 12.799 -3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.068 11.239 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.548 11.868 -5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.522 10.218 -5.257 1.00 0.00 H new ATOM 1590 N TRP A 108 1.572 9.741 -2.471 1.00 0.00 N ATOM 1591 CA TRP A 108 1.120 8.848 -1.415 1.00 0.00 C ATOM 1592 C TRP A 108 1.742 9.266 -0.082 1.00 0.00 C ATOM 1593 O TRP A 108 2.958 9.423 0.029 1.00 0.00 O ATOM 1594 CB TRP A 108 1.466 7.400 -1.776 1.00 0.00 C ATOM 1595 CG TRP A 108 0.842 6.961 -3.073 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.423 6.479 -3.253 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.450 6.979 -4.373 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.637 6.194 -4.582 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.497 6.492 -5.292 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.707 7.359 -4.849 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.765 6.378 -6.658 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.970 7.244 -6.201 1.00 0.00 C ATOM 1603 CH2 TRP A 108 2.005 6.759 -7.091 1.00 0.00 C ATOM 0 H TRP A 108 2.322 9.363 -3.050 1.00 0.00 H new ATOM 0 HA TRP A 108 0.037 8.915 -1.312 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.549 7.296 -1.845 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.132 6.740 -0.975 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.150 6.341 -2.466 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.501 5.821 -4.976 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.460 7.736 -4.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 0.021 6.003 -7.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.940 7.534 -6.578 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.244 6.684 -8.141 1.00 0.00 H new ATOM 1614 N VAL A 109 0.885 9.493 0.911 1.00 0.00 N ATOM 1615 CA VAL A 109 1.316 9.953 2.233 1.00 0.00 C ATOM 1616 C VAL A 109 2.028 8.888 3.059 1.00 0.00 C ATOM 1617 O VAL A 109 2.828 9.218 3.935 1.00 0.00 O ATOM 1618 CB VAL A 109 0.137 10.470 3.053 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.532 11.712 3.837 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.075 10.745 2.174 1.00 0.00 C ATOM 0 H VAL A 109 -0.123 9.365 0.825 1.00 0.00 H new ATOM 0 HA VAL A 109 2.027 10.752 2.024 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.142 9.691 3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.322 12.065 4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.352 11.470 4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.850 12.493 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.896 11.112 2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.819 11.496 1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.379 9.825 1.675 1.00 0.00 H new ATOM 1630 N ALA A 110 1.745 7.621 2.801 1.00 0.00 N ATOM 1631 CA ALA A 110 2.381 6.543 3.554 1.00 0.00 C ATOM 1632 C ALA A 110 3.871 6.480 3.271 1.00 0.00 C ATOM 1633 O ALA A 110 4.639 5.910 4.048 1.00 0.00 O ATOM 1634 CB ALA A 110 1.721 5.212 3.239 1.00 0.00 C ATOM 0 H ALA A 110 1.087 7.312 2.085 1.00 0.00 H new ATOM 0 HA ALA A 110 2.251 6.753 4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.208 4.421 3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.666 5.256 3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.815 5.002 2.174 1.00 0.00 H new ATOM 1640 N TRP A 111 4.279 7.080 2.164 1.00 0.00 N ATOM 1641 CA TRP A 111 5.684 7.097 1.796 1.00 0.00 C ATOM 1642 C TRP A 111 6.374 8.318 2.391 1.00 0.00 C ATOM 1643 O TRP A 111 7.539 8.251 2.776 1.00 0.00 O ATOM 1644 CB TRP A 111 5.864 7.059 0.277 1.00 0.00 C ATOM 1645 CG TRP A 111 7.301 6.982 -0.145 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.996 5.856 -0.484 1.00 0.00 C ATOM 1647 CD2 TRP A 111 8.222 8.074 -0.271 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.290 6.181 -0.814 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.452 7.536 -0.691 1.00 0.00 C ATOM 1650 CE3 TRP A 111 8.124 9.454 -0.070 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.575 8.330 -0.915 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 9.239 10.241 -0.292 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.450 9.676 -0.710 1.00 0.00 C ATOM 0 H TRP A 111 3.661 7.559 1.509 1.00 0.00 H new ATOM 0 HA TRP A 111 6.149 6.200 2.205 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.327 6.200 -0.125 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.411 7.950 -0.159 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.588 4.856 -0.492 1.00 0.00 H new ATOM 0 HE1 TRP A 111 10.012 5.521 -1.103 1.00 0.00 H new ATOM 0 HE3 TRP A 111 7.194 9.898 0.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.510 7.898 -1.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 9.175 11.308 -0.141 1.00 0.00 H new ATOM 0 HH2 TRP A 111 11.304 10.317 -0.874 1.00 0.00 H new ATOM 1664 N ARG A 112 5.656 9.436 2.489 1.00 0.00 N ATOM 1665 CA ARG A 112 6.219 10.650 3.065 1.00 0.00 C ATOM 1666 C ARG A 112 5.906 10.736 4.555 1.00 0.00 C ATOM 1667 O ARG A 112 5.542 11.798 5.061 1.00 0.00 O ATOM 1668 CB ARG A 112 5.656 11.872 2.361 1.00 0.00 C ATOM 1669 CG ARG A 112 6.492 12.342 1.182 1.00 0.00 C ATOM 1670 CD ARG A 112 7.561 13.332 1.617 1.00 0.00 C ATOM 1671 NE ARG A 112 6.987 14.506 2.268 1.00 0.00 N ATOM 1672 CZ ARG A 112 7.281 14.879 3.510 1.00 0.00 C ATOM 1673 NH1 ARG A 112 8.142 14.173 4.232 1.00 0.00 N ATOM 1674 NH2 ARG A 112 6.715 15.959 4.032 1.00 0.00 N ATOM 0 H ARG A 112 4.689 9.524 2.178 1.00 0.00 H new ATOM 0 HA ARG A 112 7.300 10.619 2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.648 11.646 2.012 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.570 12.686 3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 112 6.963 11.483 0.703 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.845 12.807 0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 112 8.253 12.841 2.301 1.00 0.00 H new ATOM 0 HD3 ARG A 112 8.140 13.646 0.748 1.00 0.00 H new ATOM 0 HE ARG A 112 6.323 15.072 1.740 1.00 0.00 H new ATOM 0 HH11 ARG A 112 8.580 13.342 3.834 1.00 0.00 H new ATOM 0 HH12 ARG A 112 8.366 14.461 5.184 1.00 0.00 H new ATOM 0 HH21 ARG A 112 6.053 16.505 3.481 1.00 0.00 H new ATOM 0 HH22 ARG A 112 6.942 16.244 4.985 1.00 0.00 H new ATOM 1688 N ASN A 113 6.057 9.623 5.251 1.00 0.00 N ATOM 1689 CA ASN A 113 5.798 9.583 6.684 1.00 0.00 C ATOM 1690 C ASN A 113 6.698 8.564 7.364 1.00 0.00 C ATOM 1691 O ASN A 113 7.559 8.914 8.171 1.00 0.00 O ATOM 1692 CB ASN A 113 4.330 9.243 6.949 1.00 0.00 C ATOM 1693 CG ASN A 113 3.605 10.350 7.689 1.00 0.00 C ATOM 1694 OD1 ASN A 113 2.803 11.080 7.106 1.00 0.00 O ATOM 1695 ND2 ASN A 113 3.885 10.481 8.980 1.00 0.00 N ATOM 0 H ASN A 113 6.357 8.734 4.850 1.00 0.00 H new ATOM 0 HA ASN A 113 6.014 10.568 7.098 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.827 9.053 6.001 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.272 8.323 7.530 1.00 0.00 H new ATOM 0 HD21 ASN A 113 3.429 11.209 9.530 1.00 0.00 H new ATOM 0 HD22 ASN A 113 4.557 9.854 9.422 1.00 0.00 H new ATOM 1702 N ARG A 114 6.483 7.300 7.033 1.00 0.00 N ATOM 1703 CA ARG A 114 7.261 6.214 7.609 1.00 0.00 C ATOM 1704 C ARG A 114 8.287 5.675 6.617 1.00 0.00 C ATOM 1705 O ARG A 114 8.945 4.669 6.881 1.00 0.00 O ATOM 1706 CB ARG A 114 6.329 5.089 8.046 1.00 0.00 C ATOM 1707 CG ARG A 114 5.860 5.209 9.486 1.00 0.00 C ATOM 1708 CD ARG A 114 6.821 4.523 10.444 1.00 0.00 C ATOM 1709 NE ARG A 114 6.441 4.727 11.840 1.00 0.00 N ATOM 1710 CZ ARG A 114 6.386 3.750 12.739 1.00 0.00 C ATOM 1711 NH1 ARG A 114 6.685 2.505 12.391 1.00 0.00 N ATOM 1712 NH2 ARG A 114 6.032 4.016 13.990 1.00 0.00 N ATOM 0 H ARG A 114 5.773 7.000 6.365 1.00 0.00 H new ATOM 0 HA ARG A 114 7.799 6.606 8.472 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.459 5.075 7.390 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.841 4.135 7.918 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.768 6.262 9.753 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.869 4.767 9.585 1.00 0.00 H new ATOM 0 HD2 ARG A 114 6.848 3.455 10.228 1.00 0.00 H new ATOM 0 HD3 ARG A 114 7.829 4.906 10.283 1.00 0.00 H new ATOM 0 HE ARG A 114 6.205 5.672 12.141 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.958 2.295 11.431 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.642 1.757 13.084 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.802 4.972 14.263 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.990 3.265 14.679 1.00 0.00 H new ATOM 1726 N CYS A 115 8.410 6.336 5.472 1.00 0.00 N ATOM 1727 CA CYS A 115 9.350 5.898 4.446 1.00 0.00 C ATOM 1728 C CYS A 115 10.438 6.933 4.191 1.00 0.00 C ATOM 1729 O CYS A 115 11.623 6.597 4.150 1.00 0.00 O ATOM 1730 CB CYS A 115 8.604 5.590 3.150 1.00 0.00 C ATOM 1731 SG CYS A 115 7.682 4.025 3.194 1.00 0.00 S ATOM 0 H CYS A 115 7.876 7.171 5.231 1.00 0.00 H new ATOM 0 HA CYS A 115 9.837 4.993 4.810 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.911 6.404 2.937 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.319 5.557 2.328 1.00 0.00 H new ATOM 1736 N LYS A 116 10.042 8.189 4.013 1.00 0.00 N ATOM 1737 CA LYS A 116 11.000 9.257 3.756 1.00 0.00 C ATOM 1738 C LYS A 116 11.922 9.461 4.953 1.00 0.00 C ATOM 1739 O LYS A 116 11.621 10.241 5.856 1.00 0.00 O ATOM 1740 CB LYS A 116 10.268 10.561 3.434 1.00 0.00 C ATOM 1741 CG LYS A 116 11.075 11.513 2.567 1.00 0.00 C ATOM 1742 CD LYS A 116 11.198 12.885 3.210 1.00 0.00 C ATOM 1743 CE LYS A 116 12.083 13.809 2.389 1.00 0.00 C ATOM 1744 NZ LYS A 116 11.545 14.015 1.015 1.00 0.00 N ATOM 0 H LYS A 116 9.068 8.491 4.042 1.00 0.00 H new ATOM 0 HA LYS A 116 11.607 8.967 2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.332 10.327 2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.009 11.063 4.367 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.069 11.099 2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.600 11.609 1.591 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.208 13.328 3.316 1.00 0.00 H new ATOM 0 HD3 LYS A 116 11.610 12.782 4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.170 14.771 2.893 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.087 13.390 2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.076 14.776 0.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.643 13.136 0.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.540 14.277 1.071 1.00 0.00 H new ATOM 1758 N GLY A 117 13.050 8.755 4.951 1.00 0.00 N ATOM 1759 CA GLY A 117 13.997 8.877 6.042 1.00 0.00 C ATOM 1760 C GLY A 117 14.680 7.566 6.381 1.00 0.00 C ATOM 1761 O GLY A 117 15.528 7.519 7.272 1.00 0.00 O ATOM 0 H GLY A 117 13.323 8.103 4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.753 9.617 5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.479 9.250 6.926 1.00 0.00 H new ATOM 1765 N THR A 118 14.318 6.498 5.675 1.00 0.00 N ATOM 1766 CA THR A 118 14.909 5.186 5.916 1.00 0.00 C ATOM 1767 C THR A 118 15.598 4.660 4.658 1.00 0.00 C ATOM 1768 O THR A 118 16.127 5.436 3.862 1.00 0.00 O ATOM 1769 CB THR A 118 13.847 4.173 6.381 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.768 4.125 5.439 1.00 0.00 O ATOM 1771 CG2 THR A 118 13.309 4.544 7.755 1.00 0.00 C ATOM 0 H THR A 118 13.619 6.516 4.932 1.00 0.00 H new ATOM 0 HA THR A 118 15.650 5.305 6.706 1.00 0.00 H new ATOM 0 HB THR A 118 14.318 3.192 6.445 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.454 5.035 5.254 1.00 0.00 H new ATOM 0 HG21 THR A 118 12.560 3.814 8.062 1.00 0.00 H new ATOM 0 HG22 THR A 118 14.126 4.551 8.476 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.854 5.534 7.713 1.00 0.00 H new ATOM 1779 N ASP A 119 15.591 3.340 4.480 1.00 0.00 N ATOM 1780 CA ASP A 119 16.220 2.726 3.317 1.00 0.00 C ATOM 1781 C ASP A 119 15.314 1.686 2.667 1.00 0.00 C ATOM 1782 O ASP A 119 15.083 0.612 3.224 1.00 0.00 O ATOM 1783 CB ASP A 119 17.536 2.093 3.701 1.00 0.00 C ATOM 1784 CG ASP A 119 18.541 2.103 2.566 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.961 3.205 2.155 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.909 1.009 2.090 1.00 0.00 O ATOM 0 H ASP A 119 15.158 2.679 5.125 1.00 0.00 H new ATOM 0 HA ASP A 119 16.399 3.517 2.589 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.954 2.624 4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.362 1.065 4.018 1.00 0.00 H new ATOM 1791 N VAL A 120 14.809 2.012 1.482 1.00 0.00 N ATOM 1792 CA VAL A 120 13.934 1.115 0.740 1.00 0.00 C ATOM 1793 C VAL A 120 14.740 0.005 0.082 1.00 0.00 C ATOM 1794 O VAL A 120 14.251 -1.111 -0.091 1.00 0.00 O ATOM 1795 CB VAL A 120 13.138 1.872 -0.340 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.154 2.838 0.299 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.080 2.606 -1.284 1.00 0.00 C ATOM 0 H VAL A 120 14.993 2.899 1.013 1.00 0.00 H new ATOM 0 HA VAL A 120 13.232 0.683 1.453 1.00 0.00 H new ATOM 0 HB VAL A 120 12.572 1.145 -0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.601 3.363 -0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.457 2.284 0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.697 3.561 0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.499 3.135 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.677 3.322 -0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.740 1.888 -1.771 1.00 0.00 H new ATOM 1807 N GLN A 121 15.985 0.316 -0.269 1.00 0.00 N ATOM 1808 CA GLN A 121 16.863 -0.665 -0.888 1.00 0.00 C ATOM 1809 C GLN A 121 17.033 -1.853 0.046 1.00 0.00 C ATOM 1810 O GLN A 121 17.310 -2.971 -0.387 1.00 0.00 O ATOM 1811 CB GLN A 121 18.226 -0.043 -1.204 1.00 0.00 C ATOM 1812 CG GLN A 121 18.205 0.888 -2.406 1.00 0.00 C ATOM 1813 CD GLN A 121 18.190 0.139 -3.724 1.00 0.00 C ATOM 1814 OE1 GLN A 121 17.147 -0.342 -4.166 1.00 0.00 O ATOM 1815 NE2 GLN A 121 19.352 0.036 -4.358 1.00 0.00 N ATOM 0 H GLN A 121 16.405 1.236 -0.135 1.00 0.00 H new ATOM 0 HA GLN A 121 16.416 -1.001 -1.823 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.575 0.510 -0.332 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.947 -0.840 -1.385 1.00 0.00 H new ATOM 0 HG2 GLN A 121 17.327 1.531 -2.348 1.00 0.00 H new ATOM 0 HG3 GLN A 121 19.079 1.539 -2.372 1.00 0.00 H new ATOM 0 HE21 GLN A 121 20.192 0.451 -3.954 1.00 0.00 H new ATOM 0 HE22 GLN A 121 19.405 -0.458 -5.249 1.00 0.00 H new ATOM 1824 N ALA A 122 16.842 -1.593 1.336 1.00 0.00 N ATOM 1825 CA ALA A 122 16.948 -2.624 2.354 1.00 0.00 C ATOM 1826 C ALA A 122 15.595 -3.285 2.580 1.00 0.00 C ATOM 1827 O ALA A 122 15.517 -4.401 3.093 1.00 0.00 O ATOM 1828 CB ALA A 122 17.478 -2.036 3.653 1.00 0.00 C ATOM 0 H ALA A 122 16.611 -0.668 1.699 1.00 0.00 H new ATOM 0 HA ALA A 122 17.650 -3.383 2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.551 -2.822 4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.464 -1.605 3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.799 -1.259 4.005 1.00 0.00 H new ATOM 1834 N TRP A 123 14.527 -2.591 2.183 1.00 0.00 N ATOM 1835 CA TRP A 123 13.175 -3.123 2.335 1.00 0.00 C ATOM 1836 C TRP A 123 12.984 -4.370 1.476 1.00 0.00 C ATOM 1837 O TRP A 123 12.043 -5.136 1.677 1.00 0.00 O ATOM 1838 CB TRP A 123 12.133 -2.071 1.956 1.00 0.00 C ATOM 1839 CG TRP A 123 11.688 -1.218 3.108 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.498 0.132 3.096 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.374 -1.655 4.438 1.00 0.00 C ATOM 1842 NE1 TRP A 123 11.090 0.560 4.335 1.00 0.00 N ATOM 1843 CE2 TRP A 123 11.007 -0.521 5.172 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.366 -2.890 5.081 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.641 -0.596 6.508 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 11.002 -2.962 6.408 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.643 -1.819 7.109 1.00 0.00 C ATOM 0 H TRP A 123 14.573 -1.665 1.757 1.00 0.00 H new ATOM 0 HA TRP A 123 13.039 -3.393 3.382 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.545 -1.428 1.178 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.264 -2.571 1.529 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.647 0.771 2.238 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.883 1.525 4.591 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.643 -3.785 4.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.362 0.291 7.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.996 -3.919 6.909 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.361 -1.900 8.148 1.00 0.00 H new ATOM 1858 N ILE A 124 13.885 -4.564 0.517 1.00 0.00 N ATOM 1859 CA ILE A 124 13.819 -5.716 -0.374 1.00 0.00 C ATOM 1860 C ILE A 124 15.150 -6.459 -0.411 1.00 0.00 C ATOM 1861 O ILE A 124 15.359 -7.338 -1.246 1.00 0.00 O ATOM 1862 CB ILE A 124 13.435 -5.298 -1.807 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.366 -4.192 -2.306 1.00 0.00 C ATOM 1864 CG2 ILE A 124 11.986 -4.842 -1.855 1.00 0.00 C ATOM 1865 CD1 ILE A 124 14.672 -4.281 -3.785 1.00 0.00 C ATOM 0 H ILE A 124 14.670 -3.937 0.338 1.00 0.00 H new ATOM 0 HA ILE A 124 13.048 -6.378 0.021 1.00 0.00 H new ATOM 0 HB ILE A 124 13.545 -6.161 -2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.912 -3.224 -2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.301 -4.235 -1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.730 -4.550 -2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.337 -5.658 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.850 -3.990 -1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.337 -3.465 -4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.155 -5.234 -4.000 1.00 0.00 H new ATOM 0 HD13 ILE A 124 13.745 -4.207 -4.353 1.00 0.00 H new ATOM 1877 N ARG A 125 16.049 -6.096 0.499 1.00 0.00 N ATOM 1878 CA ARG A 125 17.362 -6.726 0.572 1.00 0.00 C ATOM 1879 C ARG A 125 17.240 -8.200 0.948 1.00 0.00 C ATOM 1880 O ARG A 125 16.973 -8.536 2.102 1.00 0.00 O ATOM 1881 CB ARG A 125 18.243 -5.999 1.591 1.00 0.00 C ATOM 1882 CG ARG A 125 19.571 -5.530 1.021 1.00 0.00 C ATOM 1883 CD ARG A 125 20.732 -5.915 1.924 1.00 0.00 C ATOM 1884 NE ARG A 125 21.623 -4.787 2.181 1.00 0.00 N ATOM 1885 CZ ARG A 125 22.787 -4.610 1.561 1.00 0.00 C ATOM 1886 NH1 ARG A 125 23.198 -5.483 0.652 1.00 0.00 N ATOM 1887 NH2 ARG A 125 23.540 -3.558 1.852 1.00 0.00 N ATOM 0 H ARG A 125 15.892 -5.368 1.196 1.00 0.00 H new ATOM 0 HA ARG A 125 17.824 -6.659 -0.413 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.700 -5.138 1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.433 -6.663 2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.718 -5.965 0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.551 -4.448 0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 125 20.345 -6.294 2.870 1.00 0.00 H new ATOM 0 HD3 ARG A 125 21.297 -6.725 1.463 1.00 0.00 H new ATOM 0 HE ARG A 125 21.337 -4.096 2.875 1.00 0.00 H new ATOM 0 HH11 ARG A 125 22.621 -6.293 0.426 1.00 0.00 H new ATOM 0 HH12 ARG A 125 24.091 -5.344 0.179 1.00 0.00 H new ATOM 0 HH21 ARG A 125 23.227 -2.884 2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 125 24.432 -3.422 1.377 1.00 0.00 H new ATOM 1901 N GLY A 126 17.438 -9.073 -0.034 1.00 0.00 N ATOM 1902 CA GLY A 126 17.346 -10.501 0.211 1.00 0.00 C ATOM 1903 C GLY A 126 16.092 -11.113 -0.381 1.00 0.00 C ATOM 1904 O GLY A 126 15.868 -12.318 -0.267 1.00 0.00 O ATOM 0 H GLY A 126 17.661 -8.817 -0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.221 -10.996 -0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.363 -10.684 1.285 1.00 0.00 H new ATOM 1908 N CYS A 127 15.270 -10.279 -1.011 1.00 0.00 N ATOM 1909 CA CYS A 127 14.031 -10.737 -1.622 1.00 0.00 C ATOM 1910 C CYS A 127 14.300 -11.704 -2.772 1.00 0.00 C ATOM 1911 O CYS A 127 15.440 -12.105 -3.005 1.00 0.00 O ATOM 1912 CB CYS A 127 13.225 -9.552 -2.112 1.00 0.00 C ATOM 1913 SG CYS A 127 12.055 -8.886 -0.885 1.00 0.00 S ATOM 0 H CYS A 127 15.443 -9.279 -1.111 1.00 0.00 H new ATOM 0 HA CYS A 127 13.459 -11.272 -0.864 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.911 -8.759 -2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.671 -9.847 -3.003 1.00 0.00 H new ATOM 1918 N ARG A 128 13.242 -12.073 -3.486 1.00 0.00 N ATOM 1919 CA ARG A 128 13.363 -12.994 -4.611 1.00 0.00 C ATOM 1920 C ARG A 128 12.755 -12.395 -5.876 1.00 0.00 C ATOM 1921 O ARG A 128 11.653 -12.765 -6.282 1.00 0.00 O ATOM 1922 CB ARG A 128 12.684 -14.325 -4.283 1.00 0.00 C ATOM 1923 CG ARG A 128 13.610 -15.525 -4.392 1.00 0.00 C ATOM 1924 CD ARG A 128 14.123 -15.958 -3.029 1.00 0.00 C ATOM 1925 NE ARG A 128 15.356 -16.735 -3.130 1.00 0.00 N ATOM 1926 CZ ARG A 128 15.911 -17.375 -2.105 1.00 0.00 C ATOM 1927 NH1 ARG A 128 15.346 -17.330 -0.905 1.00 0.00 N ATOM 1928 NH2 ARG A 128 17.034 -18.060 -2.278 1.00 0.00 N ATOM 0 H ARG A 128 12.292 -11.749 -3.306 1.00 0.00 H new ATOM 0 HA ARG A 128 14.424 -13.170 -4.790 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.282 -14.278 -3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 128 11.838 -14.467 -4.956 1.00 0.00 H new ATOM 0 HG2 ARG A 128 13.080 -16.353 -4.862 1.00 0.00 H new ATOM 0 HG3 ARG A 128 14.453 -15.278 -5.038 1.00 0.00 H new ATOM 0 HD2 ARG A 128 14.299 -15.077 -2.411 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.360 -16.552 -2.526 1.00 0.00 H new ATOM 0 HE ARG A 128 15.817 -16.790 -4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 128 14.483 -16.803 -0.767 1.00 0.00 H new ATOM 0 HH12 ARG A 128 15.774 -17.822 -0.121 1.00 0.00 H new ATOM 0 HH21 ARG A 128 17.473 -18.096 -3.198 1.00 0.00 H new ATOM 0 HH22 ARG A 128 17.459 -18.550 -1.491 1.00 0.00 H new ATOM 1942 N LEU A 129 13.481 -11.469 -6.494 1.00 0.00 N ATOM 1943 CA LEU A 129 13.014 -10.819 -7.714 1.00 0.00 C ATOM 1944 C LEU A 129 14.178 -10.195 -8.477 1.00 0.00 C ATOM 1945 O LEU A 129 14.978 -9.472 -7.847 1.00 0.00 O ATOM 1946 CB LEU A 129 11.974 -9.747 -7.381 1.00 0.00 C ATOM 1947 CG LEU A 129 12.247 -8.952 -6.104 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.239 -7.458 -6.392 1.00 0.00 C ATOM 1949 CD2 LEU A 129 11.221 -9.295 -5.035 1.00 0.00 C ATOM 1950 OXT LEU A 129 14.279 -10.434 -9.698 1.00 0.00 O ATOM 0 H LEU A 129 14.395 -11.152 -6.170 1.00 0.00 H new ATOM 0 HA LEU A 129 12.553 -11.578 -8.346 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.912 -9.051 -8.217 1.00 0.00 H new ATOM 0 HB3 LEU A 129 10.998 -10.225 -7.291 1.00 0.00 H new ATOM 0 HG LEU A 129 13.235 -9.224 -5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 129 12.435 -6.909 -5.471 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.011 -7.225 -7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 129 11.265 -7.169 -6.787 1.00 0.00 H new ATOM 0 HD21 LEU A 129 11.430 -8.720 -4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.222 -9.051 -5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 129 11.274 -10.360 -4.808 1.00 0.00 H new