USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 447 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 19 SER OG : rot -70:sc= -1.25! USER MOD Set 1.2: A 51 THR OG1 : rot -99:sc= -0.991! USER MOD Set 2.1: A 46 LYS NZ :NH3+ 159:sc= 1.62 (180deg=0.358!) USER MOD Set 2.2: A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 21 LYS NZ :NH3+ -145:sc= 2.37 (180deg=1.9) USER MOD Set 3.2: A 41 ASN : amide:sc= 1.67 K(o=4,f=-8.7!) USER MOD Single : A 1 PHE N :NH3+ 149:sc= -0.545! (180deg=-0.923!) USER MOD Single : A 6 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.094) USER MOD Single : A 7 GLN : amide:sc= 1.05 K(o=1,f=-6!) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0458 USER MOD Single : A 14 ASN : amide:sc= -0.0266 X(o=-0.027,f=-0.027) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 1.2 K(o=1.2,f=-0.17) USER MOD Single : A 28 SER OG : rot -31:sc= 0.425 USER MOD Single : A 34 TYR OH : rot 13:sc= 1.24 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.0356 F(o=-1.4!,f=-0.036) USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= 1.09 (180deg=-0.55!) USER MOD Single : A 48 LYS NZ :NH3+ 151:sc= 2.29 (180deg=0.846) USER MOD Single : A 58 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.053) USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= -0.144! (180deg=-0.552!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 5.222 2.518 5.839 1.00 0.00 N ATOM 2 CA PHE A 1 5.088 2.428 4.377 1.00 0.00 C ATOM 3 C PHE A 1 4.505 3.688 3.762 1.00 0.00 C ATOM 4 O PHE A 1 4.853 4.061 2.652 1.00 0.00 O ATOM 5 CB PHE A 1 4.393 1.144 3.893 1.00 0.00 C ATOM 6 CG PHE A 1 3.132 0.727 4.606 1.00 0.00 C ATOM 7 CD1 PHE A 1 3.194 -0.113 5.708 1.00 0.00 C ATOM 8 CD2 PHE A 1 1.892 1.134 4.153 1.00 0.00 C ATOM 9 CE1 PHE A 1 2.044 -0.528 6.346 1.00 0.00 C ATOM 10 CE2 PHE A 1 0.740 0.717 4.778 1.00 0.00 C ATOM 11 CZ PHE A 1 0.815 -0.113 5.879 1.00 0.00 C ATOM 0 H1 PHE A 1 5.106 1.573 6.257 1.00 0.00 H new ATOM 0 H2 PHE A 1 6.163 2.890 6.079 1.00 0.00 H new ATOM 0 H3 PHE A 1 4.492 3.155 6.216 1.00 0.00 H new ATOM 0 HA PHE A 1 6.108 2.351 4.001 1.00 0.00 H new ATOM 0 HB2 PHE A 1 4.157 1.266 2.836 1.00 0.00 H new ATOM 0 HB3 PHE A 1 5.109 0.325 3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 1 4.155 -0.446 6.071 1.00 0.00 H new ATOM 0 HD2 PHE A 1 1.826 1.789 3.296 1.00 0.00 H new ATOM 0 HE1 PHE A 1 2.106 -1.176 7.208 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -0.222 1.038 4.408 1.00 0.00 H new ATOM 0 HZ PHE A 1 -0.089 -0.437 6.374 1.00 0.00 H new ATOM 21 N CYS A 2 3.609 4.307 4.450 1.00 0.00 N ATOM 22 CA CYS A 2 3.117 5.590 4.059 1.00 0.00 C ATOM 23 C CYS A 2 3.056 6.556 5.285 1.00 0.00 C ATOM 24 O CYS A 2 2.979 7.779 5.134 1.00 0.00 O ATOM 25 CB CYS A 2 1.743 5.429 3.423 1.00 0.00 C ATOM 26 SG CYS A 2 1.128 6.909 2.586 1.00 0.00 S ATOM 0 H CYS A 2 3.192 3.939 5.305 1.00 0.00 H new ATOM 0 HA CYS A 2 3.797 6.029 3.329 1.00 0.00 H new ATOM 0 HB2 CYS A 2 1.783 4.610 2.704 1.00 0.00 H new ATOM 0 HB3 CYS A 2 1.030 5.141 4.196 1.00 0.00 H new ATOM 31 N GLU A 3 3.155 5.980 6.472 1.00 0.00 N ATOM 32 CA GLU A 3 2.980 6.663 7.768 1.00 0.00 C ATOM 33 C GLU A 3 4.077 7.664 8.046 1.00 0.00 C ATOM 34 O GLU A 3 3.834 8.758 8.526 1.00 0.00 O ATOM 35 CB GLU A 3 2.973 5.653 8.940 1.00 0.00 C ATOM 36 CG GLU A 3 2.219 4.339 8.721 1.00 0.00 C ATOM 37 CD GLU A 3 2.950 3.364 7.807 1.00 0.00 C ATOM 38 OE1 GLU A 3 3.878 2.700 8.235 1.00 0.00 O ATOM 39 OE2 GLU A 3 2.643 3.304 6.611 1.00 0.00 O ATOM 0 H GLU A 3 3.367 4.988 6.576 1.00 0.00 H new ATOM 0 HA GLU A 3 2.023 7.179 7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.007 5.413 9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.544 6.148 9.811 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.049 3.862 9.686 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.239 4.558 8.296 1.00 0.00 H new ATOM 46 N ARG A 4 5.265 7.269 7.818 1.00 0.00 N ATOM 47 CA ARG A 4 6.375 8.117 8.057 1.00 0.00 C ATOM 48 C ARG A 4 6.839 8.752 6.771 1.00 0.00 C ATOM 49 O ARG A 4 7.219 9.929 6.740 1.00 0.00 O ATOM 50 CB ARG A 4 7.486 7.368 8.846 1.00 0.00 C ATOM 51 CG ARG A 4 8.847 8.084 9.025 1.00 0.00 C ATOM 52 CD ARG A 4 8.731 9.579 9.352 1.00 0.00 C ATOM 53 NE ARG A 4 7.770 9.905 10.422 1.00 0.00 N ATOM 54 CZ ARG A 4 6.867 10.913 10.326 1.00 0.00 C ATOM 55 NH1 ARG A 4 6.663 11.512 9.149 1.00 0.00 N ATOM 56 NH2 ARG A 4 6.131 11.272 11.380 1.00 0.00 N ATOM 0 H ARG A 4 5.504 6.345 7.458 1.00 0.00 H new ATOM 0 HA ARG A 4 6.075 8.943 8.702 1.00 0.00 H new ATOM 0 HB2 ARG A 4 7.096 7.136 9.837 1.00 0.00 H new ATOM 0 HB3 ARG A 4 7.670 6.417 8.346 1.00 0.00 H new ATOM 0 HG2 ARG A 4 9.403 7.591 9.823 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.430 7.967 8.111 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.714 9.951 9.640 1.00 0.00 H new ATOM 0 HD3 ARG A 4 8.441 10.113 8.447 1.00 0.00 H new ATOM 0 HE ARG A 4 7.785 9.346 11.275 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.185 11.211 8.326 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.985 12.270 9.073 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.244 10.787 12.270 1.00 0.00 H new ATOM 0 HH22 ARG A 4 5.455 12.031 11.295 1.00 0.00 H new ATOM 70 N GLU A 5 6.756 7.982 5.748 1.00 0.00 N ATOM 71 CA GLU A 5 7.133 8.318 4.430 1.00 0.00 C ATOM 72 C GLU A 5 6.330 9.518 3.878 1.00 0.00 C ATOM 73 O GLU A 5 6.916 10.510 3.469 1.00 0.00 O ATOM 74 CB GLU A 5 6.989 7.060 3.551 1.00 0.00 C ATOM 75 CG GLU A 5 7.777 5.826 4.084 1.00 0.00 C ATOM 76 CD GLU A 5 7.101 5.009 5.210 1.00 0.00 C ATOM 77 OE1 GLU A 5 6.133 5.481 5.850 1.00 0.00 O ATOM 78 OE2 GLU A 5 7.506 3.866 5.449 1.00 0.00 O ATOM 0 H GLU A 5 6.396 7.030 5.819 1.00 0.00 H new ATOM 0 HA GLU A 5 8.172 8.646 4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.933 6.800 3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.333 7.291 2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.970 5.157 3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.745 6.170 4.447 1.00 0.00 H new ATOM 85 N GLN A 6 5.000 9.455 3.935 1.00 0.00 N ATOM 86 CA GLN A 6 4.174 10.547 3.397 1.00 0.00 C ATOM 87 C GLN A 6 3.396 11.169 4.514 1.00 0.00 C ATOM 88 O GLN A 6 2.679 12.149 4.312 1.00 0.00 O ATOM 89 CB GLN A 6 3.128 10.029 2.420 1.00 0.00 C ATOM 90 CG GLN A 6 3.612 9.221 1.252 1.00 0.00 C ATOM 91 CD GLN A 6 4.571 9.969 0.336 1.00 0.00 C ATOM 92 OE1 GLN A 6 5.772 9.930 0.511 1.00 0.00 O ATOM 93 NE2 GLN A 6 4.038 10.654 -0.647 1.00 0.00 N ATOM 0 H GLN A 6 4.476 8.679 4.338 1.00 0.00 H new ATOM 0 HA GLN A 6 4.850 11.246 2.904 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.418 9.420 2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.577 10.886 2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.107 8.324 1.624 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.751 8.892 0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.025 10.668 -0.769 1.00 0.00 H new ATOM 0 HE22 GLN A 6 4.636 11.173 -1.290 1.00 0.00 H new ATOM 102 N GLN A 7 3.561 10.596 5.702 1.00 0.00 N ATOM 103 CA GLN A 7 2.758 10.875 6.851 1.00 0.00 C ATOM 104 C GLN A 7 1.270 10.847 6.596 1.00 0.00 C ATOM 105 O GLN A 7 0.522 11.765 6.918 1.00 0.00 O ATOM 106 CB GLN A 7 3.288 11.965 7.778 1.00 0.00 C ATOM 107 CG GLN A 7 3.885 13.120 7.050 1.00 0.00 C ATOM 108 CD GLN A 7 4.566 14.104 7.973 1.00 0.00 C ATOM 109 OE1 GLN A 7 5.095 13.731 9.030 1.00 0.00 O ATOM 110 NE2 GLN A 7 4.568 15.352 7.597 1.00 0.00 N ATOM 0 H GLN A 7 4.287 9.903 5.880 1.00 0.00 H new ATOM 0 HA GLN A 7 2.891 10.001 7.489 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.474 12.323 8.408 1.00 0.00 H new ATOM 0 HB3 GLN A 7 4.039 11.535 8.441 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.608 12.751 6.322 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.104 13.634 6.490 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.122 15.621 6.720 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.015 16.060 8.180 1.00 0.00 H new ATOM 119 N LEU A 8 0.892 9.777 5.954 1.00 0.00 N ATOM 120 CA LEU A 8 -0.454 9.439 5.661 1.00 0.00 C ATOM 121 C LEU A 8 -0.780 8.241 6.418 1.00 0.00 C ATOM 122 O LEU A 8 0.103 7.469 6.804 1.00 0.00 O ATOM 123 CB LEU A 8 -0.636 9.161 4.180 1.00 0.00 C ATOM 124 CG LEU A 8 -0.641 10.373 3.289 1.00 0.00 C ATOM 125 CD1 LEU A 8 -0.351 9.986 1.833 1.00 0.00 C ATOM 126 CD2 LEU A 8 -1.987 11.077 3.378 1.00 0.00 C ATOM 0 H LEU A 8 1.558 9.087 5.607 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.107 10.269 5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.162 8.494 3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.575 8.626 4.041 1.00 0.00 H new ATOM 0 HG LEU A 8 0.145 11.049 3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.360 10.880 1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.628 9.511 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.114 9.291 1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.983 11.954 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.776 10.395 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.168 11.387 4.407 1.00 0.00 H new ATOM 138 N GLU A 9 -2.010 8.083 6.644 1.00 0.00 N ATOM 139 CA GLU A 9 -2.484 6.935 7.345 1.00 0.00 C ATOM 140 C GLU A 9 -2.438 5.793 6.367 1.00 0.00 C ATOM 141 O GLU A 9 -2.535 6.000 5.162 1.00 0.00 O ATOM 142 CB GLU A 9 -3.895 7.153 7.794 1.00 0.00 C ATOM 143 CG GLU A 9 -4.442 6.138 8.777 1.00 0.00 C ATOM 144 CD GLU A 9 -5.894 6.397 9.037 1.00 0.00 C ATOM 145 OE1 GLU A 9 -6.219 7.185 9.946 1.00 0.00 O ATOM 146 OE2 GLU A 9 -6.730 5.903 8.270 1.00 0.00 O ATOM 0 H GLU A 9 -2.737 8.738 6.355 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.876 6.734 8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.963 8.142 8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.538 7.161 6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.310 5.131 8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.883 6.189 9.712 1.00 0.00 H new ATOM 153 N SER A 10 -2.231 4.657 6.850 1.00 0.00 N ATOM 154 CA SER A 10 -2.160 3.515 6.072 1.00 0.00 C ATOM 155 C SER A 10 -3.521 2.873 5.912 1.00 0.00 C ATOM 156 O SER A 10 -4.365 2.979 6.790 1.00 0.00 O ATOM 157 CB SER A 10 -1.276 2.618 6.812 1.00 0.00 C ATOM 158 OG SER A 10 -1.814 2.347 8.106 1.00 0.00 O ATOM 0 H SER A 10 -2.100 4.486 7.847 1.00 0.00 H new ATOM 0 HA SER A 10 -1.800 3.737 5.068 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.149 1.686 6.261 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.288 3.068 6.909 1.00 0.00 H new ATOM 0 HG SER A 10 -1.213 1.744 8.590 1.00 0.00 H new ATOM 164 N CYS A 11 -3.711 2.190 4.825 1.00 0.00 N ATOM 165 CA CYS A 11 -4.934 1.463 4.592 1.00 0.00 C ATOM 166 C CYS A 11 -4.667 0.456 3.482 1.00 0.00 C ATOM 167 O CYS A 11 -3.532 0.339 3.016 1.00 0.00 O ATOM 168 CB CYS A 11 -6.140 2.404 4.242 1.00 0.00 C ATOM 169 SG CYS A 11 -7.759 1.532 4.216 1.00 0.00 S ATOM 0 H CYS A 11 -3.027 2.117 4.072 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.229 0.951 5.508 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.183 3.214 4.970 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.965 2.860 3.268 1.00 0.00 H new ATOM 174 N ALA A 12 -5.668 -0.267 3.074 1.00 0.00 N ATOM 175 CA ALA A 12 -5.528 -1.246 2.038 1.00 0.00 C ATOM 176 C ALA A 12 -6.479 -0.910 0.921 1.00 0.00 C ATOM 177 O ALA A 12 -7.597 -0.467 1.167 1.00 0.00 O ATOM 178 CB ALA A 12 -5.808 -2.642 2.577 1.00 0.00 C ATOM 0 H ALA A 12 -6.612 -0.193 3.454 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.505 -1.235 1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.696 -3.371 1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.103 -2.872 3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.825 -2.684 2.967 1.00 0.00 H new ATOM 184 N CYS A 13 -6.046 -1.116 -0.287 1.00 0.00 N ATOM 185 CA CYS A 13 -6.829 -0.834 -1.490 1.00 0.00 C ATOM 186 C CYS A 13 -7.860 -1.845 -1.772 1.00 0.00 C ATOM 187 O CYS A 13 -8.236 -1.908 -2.906 1.00 0.00 O ATOM 188 CB CYS A 13 -5.915 -0.773 -2.692 1.00 0.00 C ATOM 189 SG CYS A 13 -4.725 0.628 -2.662 1.00 0.00 S ATOM 0 H CYS A 13 -5.119 -1.493 -0.486 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.327 0.118 -1.303 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.358 -1.707 -2.759 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.523 -0.700 -3.594 1.00 0.00 H new ATOM 194 N ASN A 14 -8.549 -2.321 -0.701 1.00 0.00 N ATOM 195 CA ASN A 14 -9.427 -3.582 -0.544 1.00 0.00 C ATOM 196 C ASN A 14 -9.453 -4.616 -1.730 1.00 0.00 C ATOM 197 O ASN A 14 -9.895 -5.745 -1.558 1.00 0.00 O ATOM 198 CB ASN A 14 -10.859 -3.090 -0.315 1.00 0.00 C ATOM 199 CG ASN A 14 -11.873 -4.179 0.061 1.00 0.00 C ATOM 200 OD1 ASN A 14 -12.036 -4.504 1.225 1.00 0.00 O ATOM 201 ND2 ASN A 14 -12.587 -4.707 -0.910 1.00 0.00 N ATOM 0 H ASN A 14 -8.522 -1.803 0.177 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.981 -4.142 0.278 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -10.846 -2.340 0.476 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.204 -2.592 -1.221 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.298 -5.407 -0.698 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -12.429 -4.416 -1.875 1.00 0.00 H new ATOM 208 N GLU A 15 -8.976 -4.244 -2.849 1.00 0.00 N ATOM 209 CA GLU A 15 -8.832 -5.070 -3.980 1.00 0.00 C ATOM 210 C GLU A 15 -7.760 -6.127 -3.632 1.00 0.00 C ATOM 211 O GLU A 15 -6.875 -5.866 -2.785 1.00 0.00 O ATOM 212 CB GLU A 15 -8.450 -4.165 -5.192 1.00 0.00 C ATOM 213 CG GLU A 15 -8.444 -4.798 -6.589 1.00 0.00 C ATOM 214 CD GLU A 15 -7.337 -5.785 -6.775 1.00 0.00 C ATOM 215 OE1 GLU A 15 -6.170 -5.384 -6.644 1.00 0.00 O ATOM 216 OE2 GLU A 15 -7.621 -6.968 -6.982 1.00 0.00 O ATOM 0 H GLU A 15 -8.653 -3.290 -3.012 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.746 -5.597 -4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.141 -3.322 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.456 -3.759 -5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.399 -5.294 -6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.353 -4.012 -7.338 1.00 0.00 H new ATOM 223 N THR A 16 -7.842 -7.266 -4.262 1.00 0.00 N ATOM 224 CA THR A 16 -6.999 -8.400 -3.995 1.00 0.00 C ATOM 225 C THR A 16 -5.531 -8.080 -4.058 1.00 0.00 C ATOM 226 O THR A 16 -4.842 -8.134 -3.033 1.00 0.00 O ATOM 227 CB THR A 16 -7.319 -9.575 -4.933 1.00 0.00 C ATOM 228 OG1 THR A 16 -8.704 -9.940 -4.801 1.00 0.00 O ATOM 229 CG2 THR A 16 -6.418 -10.780 -4.638 1.00 0.00 C ATOM 0 H THR A 16 -8.522 -7.437 -5.003 1.00 0.00 H new ATOM 0 HA THR A 16 -7.222 -8.690 -2.968 1.00 0.00 H new ATOM 0 HB THR A 16 -7.127 -9.259 -5.959 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.904 -10.688 -5.402 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.667 -11.596 -5.317 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.375 -10.497 -4.778 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.571 -11.105 -3.609 1.00 0.00 H new ATOM 237 N ASP A 17 -5.057 -7.712 -5.182 1.00 0.00 N ATOM 238 CA ASP A 17 -3.651 -7.544 -5.305 1.00 0.00 C ATOM 239 C ASP A 17 -3.204 -6.219 -4.787 1.00 0.00 C ATOM 240 O ASP A 17 -2.110 -6.088 -4.241 1.00 0.00 O ATOM 241 CB ASP A 17 -3.161 -7.779 -6.696 1.00 0.00 C ATOM 242 CG ASP A 17 -3.133 -9.267 -7.057 1.00 0.00 C ATOM 243 OD1 ASP A 17 -2.576 -10.081 -6.259 1.00 0.00 O ATOM 244 OD2 ASP A 17 -3.646 -9.659 -8.114 1.00 0.00 O ATOM 0 H ASP A 17 -5.603 -7.522 -6.022 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.197 -8.314 -4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.802 -7.248 -7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.159 -7.363 -6.801 1.00 0.00 H new ATOM 249 N ASN A 18 -4.071 -5.232 -4.860 1.00 0.00 N ATOM 250 CA ASN A 18 -3.726 -3.934 -4.383 1.00 0.00 C ATOM 251 C ASN A 18 -3.729 -3.863 -2.871 1.00 0.00 C ATOM 252 O ASN A 18 -3.423 -2.838 -2.291 1.00 0.00 O ATOM 253 CB ASN A 18 -4.545 -2.829 -5.048 1.00 0.00 C ATOM 254 CG ASN A 18 -4.122 -2.569 -6.486 1.00 0.00 C ATOM 255 OD1 ASN A 18 -3.288 -1.700 -6.748 1.00 0.00 O ATOM 256 ND2 ASN A 18 -4.647 -3.330 -7.412 1.00 0.00 N ATOM 0 H ASN A 18 -5.012 -5.314 -5.245 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.695 -3.748 -4.685 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.600 -3.102 -5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.443 -1.910 -4.472 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.368 -3.214 -8.386 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.335 -4.040 -7.160 1.00 0.00 H new ATOM 263 N SER A 19 -4.033 -4.977 -2.209 1.00 0.00 N ATOM 264 CA SER A 19 -3.862 -5.015 -0.770 1.00 0.00 C ATOM 265 C SER A 19 -2.373 -5.297 -0.413 1.00 0.00 C ATOM 266 O SER A 19 -1.992 -5.379 0.779 1.00 0.00 O ATOM 267 CB SER A 19 -4.827 -6.022 -0.093 1.00 0.00 C ATOM 268 OG SER A 19 -4.701 -7.333 -0.596 1.00 0.00 O ATOM 0 H SER A 19 -4.387 -5.835 -2.633 1.00 0.00 H new ATOM 0 HA SER A 19 -4.125 -4.035 -0.372 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.638 -6.031 0.980 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.853 -5.683 -0.233 1.00 0.00 H new ATOM 0 HG SER A 19 -5.049 -7.367 -1.511 1.00 0.00 H new ATOM 274 N CYS A 20 -1.550 -5.426 -1.456 1.00 0.00 N ATOM 275 CA CYS A 20 -0.121 -5.706 -1.340 1.00 0.00 C ATOM 276 C CYS A 20 0.725 -4.537 -1.758 1.00 0.00 C ATOM 277 O CYS A 20 1.955 -4.622 -1.837 1.00 0.00 O ATOM 278 CB CYS A 20 0.201 -6.908 -2.185 1.00 0.00 C ATOM 279 SG CYS A 20 -0.607 -8.369 -1.546 1.00 0.00 S ATOM 0 H CYS A 20 -1.866 -5.337 -2.422 1.00 0.00 H new ATOM 0 HA CYS A 20 0.108 -5.901 -0.292 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.117 -6.731 -3.213 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.280 -7.064 -2.207 1.00 0.00 H new ATOM 284 N LYS A 21 0.099 -3.456 -2.002 1.00 0.00 N ATOM 285 CA LYS A 21 0.717 -2.330 -2.407 1.00 0.00 C ATOM 286 C LYS A 21 0.350 -1.263 -1.464 1.00 0.00 C ATOM 287 O LYS A 21 -0.666 -1.333 -0.797 1.00 0.00 O ATOM 288 CB LYS A 21 0.337 -2.142 -3.876 1.00 0.00 C ATOM 289 CG LYS A 21 0.708 -0.868 -4.482 1.00 0.00 C ATOM 290 CD LYS A 21 -0.377 0.147 -4.291 1.00 0.00 C ATOM 291 CE LYS A 21 0.026 1.485 -4.863 1.00 0.00 C ATOM 292 NZ LYS A 21 1.234 2.021 -4.203 1.00 0.00 N ATOM 0 H LYS A 21 -0.912 -3.361 -1.910 1.00 0.00 H new ATOM 0 HA LYS A 21 1.807 -2.344 -2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.798 -2.943 -4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.742 -2.263 -3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.635 -0.505 -4.037 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.898 -1.008 -5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.291 -0.198 -4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.597 0.253 -3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.211 1.383 -5.932 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.795 2.192 -4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.164 3.057 -4.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.315 1.619 -3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.075 1.765 -4.758 1.00 0.00 H new ATOM 306 N VAL A 22 1.258 -0.359 -1.330 1.00 0.00 N ATOM 307 CA VAL A 22 1.159 0.707 -0.415 1.00 0.00 C ATOM 308 C VAL A 22 0.017 1.591 -0.717 1.00 0.00 C ATOM 309 O VAL A 22 0.017 2.314 -1.716 1.00 0.00 O ATOM 310 CB VAL A 22 2.445 1.497 -0.389 1.00 0.00 C ATOM 311 CG1 VAL A 22 2.321 2.656 0.585 1.00 0.00 C ATOM 312 CG2 VAL A 22 3.582 0.538 -0.039 1.00 0.00 C ATOM 0 H VAL A 22 2.118 -0.348 -1.878 1.00 0.00 H new ATOM 0 HA VAL A 22 0.984 0.276 0.571 1.00 0.00 H new ATOM 0 HB VAL A 22 2.661 1.939 -1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.253 3.221 0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.505 3.308 0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.116 2.271 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.525 1.085 -0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.395 0.093 0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.639 -0.249 -0.791 1.00 0.00 H new ATOM 322 N CYS A 23 -0.947 1.461 0.076 1.00 0.00 N ATOM 323 CA CYS A 23 -2.100 2.308 0.040 1.00 0.00 C ATOM 324 C CYS A 23 -2.104 3.194 1.276 1.00 0.00 C ATOM 325 O CYS A 23 -1.724 2.764 2.377 1.00 0.00 O ATOM 326 CB CYS A 23 -3.379 1.490 -0.013 1.00 0.00 C ATOM 327 SG CYS A 23 -3.346 0.133 -1.252 1.00 0.00 S ATOM 0 H CYS A 23 -0.983 0.746 0.803 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.056 2.922 -0.860 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -3.567 1.064 0.973 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.214 2.154 -0.238 1.00 0.00 H new ATOM 332 N CYS A 24 -2.509 4.403 1.097 1.00 0.00 N ATOM 333 CA CYS A 24 -2.568 5.359 2.143 1.00 0.00 C ATOM 334 C CYS A 24 -4.026 5.696 2.337 1.00 0.00 C ATOM 335 O CYS A 24 -4.878 5.145 1.633 1.00 0.00 O ATOM 336 CB CYS A 24 -1.773 6.590 1.726 1.00 0.00 C ATOM 337 SG CYS A 24 -0.092 6.197 1.146 1.00 0.00 S ATOM 0 H CYS A 24 -2.816 4.762 0.193 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.143 4.982 3.074 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.311 7.111 0.934 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.708 7.276 2.571 1.00 0.00 H new ATOM 342 N ARG A 25 -4.344 6.535 3.263 1.00 0.00 N ATOM 343 CA ARG A 25 -5.695 6.899 3.459 1.00 0.00 C ATOM 344 C ARG A 25 -5.745 8.398 3.419 1.00 0.00 C ATOM 345 O ARG A 25 -4.984 9.068 4.121 1.00 0.00 O ATOM 346 CB ARG A 25 -6.172 6.303 4.771 1.00 0.00 C ATOM 347 CG ARG A 25 -7.678 6.210 4.930 1.00 0.00 C ATOM 348 CD ARG A 25 -8.299 7.489 5.467 1.00 0.00 C ATOM 349 NE ARG A 25 -7.852 7.794 6.831 1.00 0.00 N ATOM 350 CZ ARG A 25 -7.976 8.967 7.461 1.00 0.00 C ATOM 351 NH1 ARG A 25 -8.400 10.053 6.799 1.00 0.00 N ATOM 352 NH2 ARG A 25 -7.610 9.068 8.736 1.00 0.00 N ATOM 0 H ARG A 25 -3.680 6.980 3.896 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.365 6.515 2.690 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.750 5.303 4.872 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.773 6.902 5.590 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.126 5.973 3.965 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.917 5.386 5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.043 8.319 4.809 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.385 7.396 5.455 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.403 7.038 7.349 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.631 9.988 5.808 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.492 10.944 7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.238 8.254 9.226 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.701 9.959 9.224 1.00 0.00 H new ATOM 366 N ASP A 26 -6.599 8.921 2.585 1.00 0.00 N ATOM 367 CA ASP A 26 -6.617 10.307 2.316 1.00 0.00 C ATOM 368 C ASP A 26 -7.579 11.016 3.242 1.00 0.00 C ATOM 369 O ASP A 26 -8.260 10.406 4.077 1.00 0.00 O ATOM 370 CB ASP A 26 -6.986 10.580 0.833 1.00 0.00 C ATOM 371 CG ASP A 26 -8.485 10.670 0.590 1.00 0.00 C ATOM 372 OD1 ASP A 26 -9.179 9.671 0.681 1.00 0.00 O ATOM 373 OD2 ASP A 26 -8.990 11.779 0.351 1.00 0.00 O ATOM 0 H ASP A 26 -7.301 8.384 2.076 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.615 10.699 2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.517 11.511 0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.572 9.786 0.211 1.00 0.00 H new ATOM 378 N LEU A 27 -7.648 12.271 3.036 1.00 0.00 N ATOM 379 CA LEU A 27 -8.406 13.204 3.816 1.00 0.00 C ATOM 380 C LEU A 27 -9.903 12.970 3.832 1.00 0.00 C ATOM 381 O LEU A 27 -10.543 13.111 4.863 1.00 0.00 O ATOM 382 CB LEU A 27 -8.055 14.652 3.461 1.00 0.00 C ATOM 383 CG LEU A 27 -7.793 15.022 1.976 1.00 0.00 C ATOM 384 CD1 LEU A 27 -9.067 15.030 1.139 1.00 0.00 C ATOM 385 CD2 LEU A 27 -7.085 16.362 1.879 1.00 0.00 C ATOM 0 H LEU A 27 -7.147 12.719 2.269 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.097 13.016 4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.867 15.284 3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.165 14.924 4.029 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.149 14.245 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.825 15.295 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.523 14.040 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.766 15.761 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.909 16.606 0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.706 17.135 2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.131 16.308 2.404 1.00 0.00 H new ATOM 397 N SER A 28 -10.428 12.572 2.723 1.00 0.00 N ATOM 398 CA SER A 28 -11.825 12.358 2.573 1.00 0.00 C ATOM 399 C SER A 28 -12.176 10.940 2.999 1.00 0.00 C ATOM 400 O SER A 28 -13.333 10.524 2.943 1.00 0.00 O ATOM 401 CB SER A 28 -12.262 12.671 1.140 1.00 0.00 C ATOM 402 OG SER A 28 -13.654 12.479 0.939 1.00 0.00 O ATOM 0 H SER A 28 -9.886 12.383 1.880 1.00 0.00 H new ATOM 0 HA SER A 28 -12.376 13.038 3.223 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.003 13.703 0.903 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.708 12.036 0.448 1.00 0.00 H new ATOM 0 HG SER A 28 -13.974 11.762 1.526 1.00 0.00 H new ATOM 408 N GLY A 29 -11.159 10.214 3.398 1.00 0.00 N ATOM 409 CA GLY A 29 -11.334 8.946 3.967 1.00 0.00 C ATOM 410 C GLY A 29 -11.412 7.788 2.994 1.00 0.00 C ATOM 411 O GLY A 29 -12.171 6.853 3.206 1.00 0.00 O ATOM 0 H GLY A 29 -10.186 10.511 3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.510 8.761 4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.248 8.959 4.560 1.00 0.00 H new ATOM 415 N ARG A 30 -10.652 7.837 1.937 1.00 0.00 N ATOM 416 CA ARG A 30 -10.576 6.717 1.035 1.00 0.00 C ATOM 417 C ARG A 30 -9.218 6.086 1.170 1.00 0.00 C ATOM 418 O ARG A 30 -8.237 6.760 1.529 1.00 0.00 O ATOM 419 CB ARG A 30 -10.799 7.091 -0.453 1.00 0.00 C ATOM 420 CG ARG A 30 -12.194 7.589 -0.851 1.00 0.00 C ATOM 421 CD ARG A 30 -12.500 8.980 -0.322 1.00 0.00 C ATOM 422 NE ARG A 30 -11.466 9.952 -0.709 1.00 0.00 N ATOM 423 CZ ARG A 30 -11.597 10.928 -1.618 1.00 0.00 C ATOM 424 NH1 ARG A 30 -12.689 10.999 -2.392 1.00 0.00 N ATOM 425 NH2 ARG A 30 -10.638 11.843 -1.735 1.00 0.00 N ATOM 0 H ARG A 30 -10.076 8.638 1.677 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.380 6.035 1.312 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.077 7.863 -0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.568 6.215 -1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.276 7.593 -1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.943 6.891 -0.478 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.468 9.308 -0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.579 8.946 0.765 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.563 9.876 -0.241 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.431 10.306 -2.292 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.778 11.746 -3.081 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.814 11.797 -1.136 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.727 12.590 -2.424 1.00 0.00 H new ATOM 439 N CYS A 31 -9.154 4.820 0.924 1.00 0.00 N ATOM 440 CA CYS A 31 -7.910 4.120 0.922 1.00 0.00 C ATOM 441 C CYS A 31 -7.386 4.167 -0.492 1.00 0.00 C ATOM 442 O CYS A 31 -8.000 3.630 -1.411 1.00 0.00 O ATOM 443 CB CYS A 31 -8.122 2.703 1.411 1.00 0.00 C ATOM 444 SG CYS A 31 -8.962 2.651 3.031 1.00 0.00 S ATOM 0 H CYS A 31 -9.966 4.238 0.718 1.00 0.00 H new ATOM 0 HA CYS A 31 -7.182 4.574 1.594 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.713 2.153 0.679 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.159 2.199 1.487 1.00 0.00 H new ATOM 449 N VAL A 32 -6.288 4.831 -0.661 1.00 0.00 N ATOM 450 CA VAL A 32 -5.773 5.142 -1.932 1.00 0.00 C ATOM 451 C VAL A 32 -4.403 4.583 -2.167 1.00 0.00 C ATOM 452 O VAL A 32 -3.546 4.656 -1.307 1.00 0.00 O ATOM 453 CB VAL A 32 -5.794 6.660 -2.237 1.00 0.00 C ATOM 454 CG1 VAL A 32 -7.187 7.079 -2.643 1.00 0.00 C ATOM 455 CG2 VAL A 32 -5.322 7.464 -1.015 1.00 0.00 C ATOM 0 H VAL A 32 -5.717 5.176 0.111 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.452 4.652 -2.630 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.109 6.865 -3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.198 8.148 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.488 6.528 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.883 6.864 -1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.344 8.528 -1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.982 7.265 -0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.305 7.170 -0.757 1.00 0.00 H new ATOM 465 N PRO A 33 -4.191 4.011 -3.333 1.00 0.00 N ATOM 466 CA PRO A 33 -2.894 3.463 -3.722 1.00 0.00 C ATOM 467 C PRO A 33 -1.847 4.579 -3.807 1.00 0.00 C ATOM 468 O PRO A 33 -2.038 5.542 -4.545 1.00 0.00 O ATOM 469 CB PRO A 33 -3.168 2.876 -5.126 1.00 0.00 C ATOM 470 CG PRO A 33 -4.401 3.561 -5.612 1.00 0.00 C ATOM 471 CD PRO A 33 -5.212 3.856 -4.392 1.00 0.00 C ATOM 0 HA PRO A 33 -2.507 2.729 -3.015 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.328 3.057 -5.797 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.312 1.797 -5.079 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.154 4.477 -6.148 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.954 2.926 -6.305 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.806 4.762 -4.513 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.907 3.047 -4.166 1.00 0.00 H new ATOM 479 N TYR A 34 -0.746 4.482 -3.047 1.00 0.00 N ATOM 480 CA TYR A 34 0.217 5.540 -3.091 1.00 0.00 C ATOM 481 C TYR A 34 1.023 5.612 -4.351 1.00 0.00 C ATOM 482 O TYR A 34 1.653 4.627 -4.793 1.00 0.00 O ATOM 483 CB TYR A 34 1.103 5.615 -1.844 1.00 0.00 C ATOM 484 CG TYR A 34 2.454 6.310 -2.040 1.00 0.00 C ATOM 485 CD1 TYR A 34 2.548 7.635 -2.453 1.00 0.00 C ATOM 486 CD2 TYR A 34 3.635 5.617 -1.847 1.00 0.00 C ATOM 487 CE1 TYR A 34 3.751 8.213 -2.672 1.00 0.00 C ATOM 488 CE2 TYR A 34 4.859 6.222 -2.059 1.00 0.00 C ATOM 489 CZ TYR A 34 4.905 7.517 -2.477 1.00 0.00 C ATOM 490 OH TYR A 34 6.117 8.126 -2.713 1.00 0.00 O ATOM 0 H TYR A 34 -0.524 3.705 -2.424 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.403 6.437 -3.096 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.555 6.138 -1.060 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.283 4.602 -1.485 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.647 8.211 -2.601 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.600 4.587 -1.525 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.797 9.239 -3.006 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.773 5.671 -1.894 1.00 0.00 H new ATOM 0 HH TYR A 34 5.984 9.092 -2.815 1.00 0.00 H new ATOM 500 N VAL A 35 0.906 6.757 -4.926 1.00 0.00 N ATOM 501 CA VAL A 35 1.714 7.281 -5.924 1.00 0.00 C ATOM 502 C VAL A 35 1.580 8.726 -5.652 1.00 0.00 C ATOM 503 O VAL A 35 0.471 9.184 -5.348 1.00 0.00 O ATOM 504 CB VAL A 35 1.200 7.133 -7.344 1.00 0.00 C ATOM 505 CG1 VAL A 35 2.326 6.797 -8.271 1.00 0.00 C ATOM 506 CG2 VAL A 35 -0.005 6.225 -7.479 1.00 0.00 C ATOM 0 H VAL A 35 0.158 7.401 -4.668 1.00 0.00 H new ATOM 0 HA VAL A 35 2.690 6.796 -5.893 1.00 0.00 H new ATOM 0 HB VAL A 35 0.805 8.103 -7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.943 6.694 -9.286 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.070 7.593 -8.243 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.786 5.859 -7.960 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.307 6.175 -8.525 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.251 5.226 -7.127 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.827 6.620 -6.882 1.00 0.00 H new ATOM 516 N ASP A 36 2.620 9.419 -5.660 1.00 0.00 N ATOM 517 CA ASP A 36 2.554 10.805 -5.512 1.00 0.00 C ATOM 518 C ASP A 36 2.664 11.439 -6.777 1.00 0.00 C ATOM 519 O ASP A 36 2.504 10.797 -7.819 1.00 0.00 O ATOM 520 CB ASP A 36 3.457 11.320 -4.418 1.00 0.00 C ATOM 521 CG ASP A 36 4.873 10.850 -4.496 1.00 0.00 C ATOM 522 OD1 ASP A 36 5.411 10.610 -5.620 1.00 0.00 O ATOM 523 OD2 ASP A 36 5.498 10.700 -3.413 1.00 0.00 O ATOM 0 H ASP A 36 3.562 9.044 -5.771 1.00 0.00 H new ATOM 0 HA ASP A 36 1.568 11.085 -5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.450 12.410 -4.444 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.043 11.021 -3.455 1.00 0.00 H new ATOM 528 N ALA A 37 2.886 12.658 -6.738 1.00 0.00 N ATOM 529 CA ALA A 37 2.698 13.437 -7.853 1.00 0.00 C ATOM 530 C ALA A 37 3.827 13.268 -8.849 1.00 0.00 C ATOM 531 O ALA A 37 3.704 13.585 -10.032 1.00 0.00 O ATOM 532 CB ALA A 37 2.496 14.807 -7.384 1.00 0.00 C ATOM 0 H ALA A 37 3.212 13.160 -5.912 1.00 0.00 H new ATOM 0 HA ALA A 37 1.816 13.131 -8.416 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.342 15.465 -8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.621 14.844 -6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.374 15.134 -6.828 1.00 0.00 H new ATOM 538 N GLU A 38 4.908 12.745 -8.346 1.00 0.00 N ATOM 539 CA GLU A 38 6.016 12.403 -9.077 1.00 0.00 C ATOM 540 C GLU A 38 5.884 10.968 -9.589 1.00 0.00 C ATOM 541 O GLU A 38 6.801 10.466 -10.252 1.00 0.00 O ATOM 542 CB GLU A 38 7.224 12.502 -8.198 1.00 0.00 C ATOM 543 CG GLU A 38 7.406 13.844 -7.517 1.00 0.00 C ATOM 544 CD GLU A 38 6.917 13.809 -6.094 1.00 0.00 C ATOM 545 OE1 GLU A 38 5.687 13.823 -5.872 1.00 0.00 O ATOM 546 OE2 GLU A 38 7.772 13.673 -5.188 1.00 0.00 O ATOM 0 H GLU A 38 5.010 12.548 -7.350 1.00 0.00 H new ATOM 0 HA GLU A 38 6.111 13.078 -9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.164 11.727 -7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.110 12.291 -8.797 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.460 14.123 -7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.864 14.611 -8.071 1.00 0.00 H new ATOM 553 N GLN A 39 4.740 10.294 -9.245 1.00 0.00 N ATOM 554 CA GLN A 39 4.432 8.989 -9.648 1.00 0.00 C ATOM 555 C GLN A 39 5.349 7.972 -8.995 1.00 0.00 C ATOM 556 O GLN A 39 5.606 6.898 -9.550 1.00 0.00 O ATOM 557 CB GLN A 39 4.439 8.930 -11.130 1.00 0.00 C ATOM 558 CG GLN A 39 3.288 9.687 -11.762 1.00 0.00 C ATOM 559 CD GLN A 39 3.405 9.798 -13.272 1.00 0.00 C ATOM 560 OE1 GLN A 39 4.619 9.863 -13.771 1.00 0.00 O flip ATOM 561 NE2 GLN A 39 2.413 9.843 -13.983 1.00 0.00 N flip ATOM 0 H GLN A 39 4.018 10.709 -8.657 1.00 0.00 H new ATOM 0 HA GLN A 39 3.431 8.721 -9.309 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.380 9.338 -11.499 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.397 7.888 -11.446 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.352 9.188 -11.512 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.240 10.688 -11.333 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.484 9.790 -13.566 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.514 9.933 -14.994 1.00 0.00 H new ATOM 570 N LYS A 40 5.796 8.278 -7.776 1.00 0.00 N ATOM 571 CA LYS A 40 6.578 7.342 -7.052 1.00 0.00 C ATOM 572 C LYS A 40 5.663 6.372 -6.418 1.00 0.00 C ATOM 573 O LYS A 40 4.642 6.743 -5.846 1.00 0.00 O ATOM 574 CB LYS A 40 7.416 7.990 -6.010 1.00 0.00 C ATOM 575 CG LYS A 40 8.311 9.055 -6.564 1.00 0.00 C ATOM 576 CD LYS A 40 9.353 9.564 -5.551 1.00 0.00 C ATOM 577 CE LYS A 40 8.723 10.087 -4.262 1.00 0.00 C ATOM 578 NZ LYS A 40 7.795 11.195 -4.498 1.00 0.00 N ATOM 0 H LYS A 40 5.620 9.161 -7.296 1.00 0.00 H new ATOM 0 HA LYS A 40 7.258 6.850 -7.747 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.769 8.426 -5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.024 7.232 -5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.828 8.665 -7.441 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.701 9.894 -6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.043 8.755 -5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.941 10.359 -6.010 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.194 9.274 -3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.511 10.416 -3.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.177 11.312 -3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.333 12.071 -4.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.215 10.990 -5.337 1.00 0.00 H new ATOM 592 N ASN A 41 6.013 5.167 -6.518 1.00 0.00 N ATOM 593 CA ASN A 41 5.171 4.113 -6.099 1.00 0.00 C ATOM 594 C ASN A 41 5.945 3.231 -5.135 1.00 0.00 C ATOM 595 O ASN A 41 7.148 3.401 -4.977 1.00 0.00 O ATOM 596 CB ASN A 41 4.833 3.327 -7.334 1.00 0.00 C ATOM 597 CG ASN A 41 3.539 2.516 -7.266 1.00 0.00 C ATOM 598 OD1 ASN A 41 3.104 2.060 -6.201 1.00 0.00 O ATOM 599 ND2 ASN A 41 2.917 2.329 -8.405 1.00 0.00 N ATOM 0 H ASN A 41 6.909 4.864 -6.900 1.00 0.00 H new ATOM 0 HA ASN A 41 4.271 4.479 -5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.765 4.017 -8.175 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.657 2.646 -7.547 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.049 1.795 -8.430 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.302 2.718 -9.266 1.00 0.00 H new ATOM 606 N LEU A 42 5.270 2.263 -4.562 1.00 0.00 N ATOM 607 CA LEU A 42 5.839 1.355 -3.580 1.00 0.00 C ATOM 608 C LEU A 42 5.050 0.063 -3.534 1.00 0.00 C ATOM 609 O LEU A 42 3.821 0.041 -3.802 1.00 0.00 O ATOM 610 CB LEU A 42 5.759 1.913 -2.176 1.00 0.00 C ATOM 611 CG LEU A 42 6.547 3.136 -1.795 1.00 0.00 C ATOM 612 CD1 LEU A 42 6.133 3.527 -0.390 1.00 0.00 C ATOM 613 CD2 LEU A 42 8.042 2.847 -1.834 1.00 0.00 C ATOM 0 H LEU A 42 4.288 2.076 -4.766 1.00 0.00 H new ATOM 0 HA LEU A 42 6.875 1.204 -3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.710 2.131 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.055 1.115 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 42 6.347 3.945 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.687 4.413 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.065 3.742 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.349 2.707 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.594 3.745 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.276 2.045 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.328 2.544 -2.841 1.00 0.00 H new ATOM 625 N PHE A 43 5.740 -0.960 -3.126 1.00 0.00 N ATOM 626 CA PHE A 43 5.268 -2.261 -2.887 1.00 0.00 C ATOM 627 C PHE A 43 5.376 -2.508 -1.375 1.00 0.00 C ATOM 628 O PHE A 43 6.263 -1.942 -0.729 1.00 0.00 O ATOM 629 CB PHE A 43 6.138 -3.231 -3.725 1.00 0.00 C ATOM 630 CG PHE A 43 6.208 -4.679 -3.279 1.00 0.00 C ATOM 631 CD1 PHE A 43 5.070 -5.443 -3.092 1.00 0.00 C ATOM 632 CD2 PHE A 43 7.446 -5.264 -3.035 1.00 0.00 C ATOM 633 CE1 PHE A 43 5.166 -6.761 -2.671 1.00 0.00 C ATOM 634 CE2 PHE A 43 7.544 -6.578 -2.618 1.00 0.00 C ATOM 635 CZ PHE A 43 6.403 -7.326 -2.436 1.00 0.00 C ATOM 0 H PHE A 43 6.740 -0.880 -2.939 1.00 0.00 H new ATOM 0 HA PHE A 43 4.229 -2.411 -3.180 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.768 -3.213 -4.750 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.154 -2.837 -3.746 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.098 -5.009 -3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.345 -4.682 -3.174 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.270 -7.347 -2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 43 8.514 -7.017 -2.435 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.476 -8.353 -2.110 1.00 0.00 H new ATOM 645 N LEU A 44 4.439 -3.258 -0.805 1.00 0.00 N ATOM 646 CA LEU A 44 4.467 -3.591 0.574 1.00 0.00 C ATOM 647 C LEU A 44 5.586 -4.619 0.828 1.00 0.00 C ATOM 648 O LEU A 44 6.269 -5.044 -0.079 1.00 0.00 O ATOM 649 CB LEU A 44 3.104 -4.180 1.024 1.00 0.00 C ATOM 650 CG LEU A 44 2.386 -3.519 2.229 1.00 0.00 C ATOM 651 CD1 LEU A 44 3.239 -3.526 3.487 1.00 0.00 C ATOM 652 CD2 LEU A 44 1.938 -2.114 1.895 1.00 0.00 C ATOM 0 H LEU A 44 3.641 -3.644 -1.310 1.00 0.00 H new ATOM 0 HA LEU A 44 4.659 -2.686 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.427 -4.143 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.258 -5.232 1.264 1.00 0.00 H new ATOM 0 HG LEU A 44 1.503 -4.124 2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.691 -3.052 4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.476 -4.554 3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.163 -2.977 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.438 -1.676 2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.805 -1.508 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.247 -2.143 1.052 1.00 0.00 H new ATOM 664 N ARG A 45 5.765 -5.002 2.048 1.00 0.00 N ATOM 665 CA ARG A 45 6.710 -6.012 2.379 1.00 0.00 C ATOM 666 C ARG A 45 6.132 -7.400 2.097 1.00 0.00 C ATOM 667 O ARG A 45 4.921 -7.546 1.910 1.00 0.00 O ATOM 668 CB ARG A 45 7.093 -5.878 3.828 1.00 0.00 C ATOM 669 CG ARG A 45 7.985 -4.685 4.130 1.00 0.00 C ATOM 670 CD ARG A 45 8.356 -4.627 5.604 1.00 0.00 C ATOM 671 NE ARG A 45 9.248 -3.486 5.909 1.00 0.00 N ATOM 672 CZ ARG A 45 9.746 -3.187 7.131 1.00 0.00 C ATOM 673 NH1 ARG A 45 9.451 -3.958 8.188 1.00 0.00 N ATOM 674 NH2 ARG A 45 10.547 -2.121 7.286 1.00 0.00 N ATOM 0 H ARG A 45 5.257 -4.621 2.846 1.00 0.00 H new ATOM 0 HA ARG A 45 7.600 -5.890 1.762 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.185 -5.799 4.426 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.604 -6.788 4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.891 -4.745 3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.474 -3.765 3.846 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.449 -4.548 6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.847 -5.557 5.891 1.00 0.00 H new ATOM 0 HE ARG A 45 9.509 -2.875 5.135 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.849 -4.773 8.072 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.829 -3.729 9.107 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.780 -1.537 6.483 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.923 -1.895 8.207 1.00 0.00 H new ATOM 688 N LYS A 46 6.982 -8.405 2.080 1.00 0.00 N ATOM 689 CA LYS A 46 6.533 -9.760 1.821 1.00 0.00 C ATOM 690 C LYS A 46 5.918 -10.392 3.036 1.00 0.00 C ATOM 691 O LYS A 46 6.242 -10.030 4.166 1.00 0.00 O ATOM 692 CB LYS A 46 7.636 -10.664 1.311 1.00 0.00 C ATOM 693 CG LYS A 46 8.057 -10.427 -0.112 1.00 0.00 C ATOM 694 CD LYS A 46 8.791 -11.647 -0.600 1.00 0.00 C ATOM 695 CE LYS A 46 9.045 -11.609 -2.078 1.00 0.00 C ATOM 696 NZ LYS A 46 9.280 -12.975 -2.588 1.00 0.00 N ATOM 0 H LYS A 46 7.985 -8.312 2.242 1.00 0.00 H new ATOM 0 HA LYS A 46 5.779 -9.659 1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.507 -10.544 1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.308 -11.699 1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.186 -10.233 -0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.698 -9.548 -0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.741 -11.731 -0.073 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.212 -12.538 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.192 -11.163 -2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.909 -10.980 -2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.103 -12.998 -3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.265 -13.251 -2.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.638 -13.639 -2.110 1.00 0.00 H new ATOM 710 N GLY A 47 5.020 -11.338 2.785 1.00 0.00 N ATOM 711 CA GLY A 47 4.338 -12.047 3.845 1.00 0.00 C ATOM 712 C GLY A 47 3.317 -11.169 4.485 1.00 0.00 C ATOM 713 O GLY A 47 2.865 -11.418 5.593 1.00 0.00 O ATOM 0 H GLY A 47 4.750 -11.629 1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.859 -12.940 3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.059 -12.380 4.591 1.00 0.00 H new ATOM 717 N LYS A 48 2.957 -10.139 3.765 1.00 0.00 N ATOM 718 CA LYS A 48 1.978 -9.190 4.214 1.00 0.00 C ATOM 719 C LYS A 48 0.583 -9.776 4.045 1.00 0.00 C ATOM 720 O LYS A 48 0.201 -10.119 2.942 1.00 0.00 O ATOM 721 CB LYS A 48 2.185 -7.872 3.428 1.00 0.00 C ATOM 722 CG LYS A 48 0.992 -6.918 3.287 1.00 0.00 C ATOM 723 CD LYS A 48 0.463 -6.386 4.601 1.00 0.00 C ATOM 724 CE LYS A 48 -0.667 -5.388 4.353 1.00 0.00 C ATOM 725 NZ LYS A 48 -1.739 -5.956 3.486 1.00 0.00 N ATOM 0 H LYS A 48 3.340 -9.935 2.842 1.00 0.00 H new ATOM 0 HA LYS A 48 2.093 -8.968 5.275 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.996 -7.323 3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.524 -8.132 2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.286 -6.077 2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.186 -7.436 2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.101 -7.210 5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.268 -5.904 5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.097 -5.084 5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.261 -4.491 3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.649 -5.511 3.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.512 -5.771 2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.804 -6.982 3.642 1.00 0.00 H new ATOM 739 N PRO A 49 -0.165 -9.962 5.156 1.00 0.00 N ATOM 740 CA PRO A 49 -1.539 -10.461 5.103 1.00 0.00 C ATOM 741 C PRO A 49 -2.406 -9.543 4.256 1.00 0.00 C ATOM 742 O PRO A 49 -2.507 -8.317 4.515 1.00 0.00 O ATOM 743 CB PRO A 49 -1.998 -10.427 6.566 1.00 0.00 C ATOM 744 CG PRO A 49 -0.742 -10.480 7.358 1.00 0.00 C ATOM 745 CD PRO A 49 0.285 -9.744 6.548 1.00 0.00 C ATOM 0 HA PRO A 49 -1.611 -11.454 4.658 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.564 -9.521 6.782 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.647 -11.271 6.797 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.876 -10.015 8.335 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.435 -11.511 7.535 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.314 -8.684 6.801 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.287 -10.139 6.714 1.00 0.00 H new ATOM 753 N CYS A 50 -2.956 -10.086 3.236 1.00 0.00 N ATOM 754 CA CYS A 50 -3.765 -9.377 2.338 1.00 0.00 C ATOM 755 C CYS A 50 -5.125 -10.050 2.215 1.00 0.00 C ATOM 756 O CYS A 50 -5.552 -10.730 3.137 1.00 0.00 O ATOM 757 CB CYS A 50 -3.025 -9.258 1.017 1.00 0.00 C ATOM 758 SG CYS A 50 -2.335 -10.809 0.394 1.00 0.00 S ATOM 0 H CYS A 50 -2.847 -11.073 3.001 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.964 -8.367 2.698 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.707 -8.854 0.269 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.216 -8.537 1.133 1.00 0.00 H new ATOM 763 N THR A 51 -5.794 -9.817 1.117 1.00 0.00 N ATOM 764 CA THR A 51 -7.123 -10.318 0.861 1.00 0.00 C ATOM 765 C THR A 51 -7.202 -11.836 0.852 1.00 0.00 C ATOM 766 O THR A 51 -7.831 -12.453 1.706 1.00 0.00 O ATOM 767 CB THR A 51 -7.553 -9.808 -0.510 1.00 0.00 C ATOM 768 OG1 THR A 51 -6.426 -9.935 -1.400 1.00 0.00 O ATOM 769 CG2 THR A 51 -7.951 -8.374 -0.437 1.00 0.00 C ATOM 0 H THR A 51 -5.420 -9.257 0.351 1.00 0.00 H new ATOM 0 HA THR A 51 -7.771 -9.968 1.665 1.00 0.00 H new ATOM 0 HB THR A 51 -8.406 -10.386 -0.864 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.976 -9.068 -1.484 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.254 -8.030 -1.426 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.784 -8.262 0.257 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.106 -7.779 -0.089 1.00 0.00 H new ATOM 777 N VAL A 52 -6.585 -12.401 -0.135 1.00 0.00 N ATOM 778 CA VAL A 52 -6.651 -13.820 -0.368 1.00 0.00 C ATOM 779 C VAL A 52 -5.615 -14.628 0.418 1.00 0.00 C ATOM 780 O VAL A 52 -5.904 -15.739 0.861 1.00 0.00 O ATOM 781 CB VAL A 52 -6.651 -14.161 -1.887 1.00 0.00 C ATOM 782 CG1 VAL A 52 -7.817 -13.459 -2.575 1.00 0.00 C ATOM 783 CG2 VAL A 52 -5.336 -13.792 -2.573 1.00 0.00 C ATOM 0 H VAL A 52 -6.015 -11.893 -0.811 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.614 -14.138 0.032 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.763 -15.242 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.812 -13.701 -3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.755 -13.792 -2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.719 -12.381 -2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.392 -14.052 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.160 -12.721 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.517 -14.340 -2.108 1.00 0.00 H new ATOM 793 N GLY A 53 -4.460 -14.059 0.627 1.00 0.00 N ATOM 794 CA GLY A 53 -3.425 -14.746 1.328 1.00 0.00 C ATOM 795 C GLY A 53 -2.334 -13.821 1.818 1.00 0.00 C ATOM 796 O GLY A 53 -2.566 -12.961 2.706 1.00 0.00 O ATOM 0 H GLY A 53 -4.217 -13.118 0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.857 -15.273 2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.988 -15.500 0.674 1.00 0.00 H new ATOM 800 N PHE A 54 -1.153 -13.969 1.260 1.00 0.00 N ATOM 801 CA PHE A 54 -0.020 -13.149 1.628 1.00 0.00 C ATOM 802 C PHE A 54 0.563 -12.473 0.412 1.00 0.00 C ATOM 803 O PHE A 54 0.432 -12.946 -0.701 1.00 0.00 O ATOM 804 CB PHE A 54 1.065 -13.959 2.341 1.00 0.00 C ATOM 805 CG PHE A 54 0.632 -14.537 3.659 1.00 0.00 C ATOM 806 CD1 PHE A 54 0.589 -13.745 4.794 1.00 0.00 C ATOM 807 CD2 PHE A 54 0.274 -15.871 3.764 1.00 0.00 C ATOM 808 CE1 PHE A 54 0.195 -14.271 6.007 1.00 0.00 C ATOM 809 CE2 PHE A 54 -0.121 -16.404 4.975 1.00 0.00 C ATOM 810 CZ PHE A 54 -0.161 -15.602 6.098 1.00 0.00 C ATOM 0 H PHE A 54 -0.951 -14.661 0.538 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.384 -12.392 2.322 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.386 -14.771 1.688 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.933 -13.320 2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.867 -12.703 4.729 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.304 -16.502 2.888 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.165 -13.642 6.885 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.398 -17.446 5.043 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.470 -16.015 7.047 1.00 0.00 H new ATOM 820 N CYS A 55 1.199 -11.376 0.633 1.00 0.00 N ATOM 821 CA CYS A 55 1.783 -10.612 -0.437 1.00 0.00 C ATOM 822 C CYS A 55 3.171 -11.069 -0.720 1.00 0.00 C ATOM 823 O CYS A 55 4.014 -11.140 0.193 1.00 0.00 O ATOM 824 CB CYS A 55 1.823 -9.158 -0.067 1.00 0.00 C ATOM 825 SG CYS A 55 0.197 -8.466 0.291 1.00 0.00 S ATOM 0 H CYS A 55 1.335 -10.974 1.560 1.00 0.00 H new ATOM 0 HA CYS A 55 1.169 -10.757 -1.326 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.464 -9.030 0.805 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.278 -8.595 -0.882 1.00 0.00 H new ATOM 830 N ASP A 56 3.431 -11.393 -1.954 1.00 0.00 N ATOM 831 CA ASP A 56 4.776 -11.782 -2.319 1.00 0.00 C ATOM 832 C ASP A 56 5.309 -10.900 -3.529 1.00 0.00 C ATOM 833 O ASP A 56 4.794 -9.804 -3.755 1.00 0.00 O ATOM 834 CB ASP A 56 4.867 -13.317 -2.585 1.00 0.00 C ATOM 835 CG ASP A 56 6.312 -13.823 -2.639 1.00 0.00 C ATOM 836 OD1 ASP A 56 6.939 -14.002 -1.595 1.00 0.00 O ATOM 837 OD2 ASP A 56 6.877 -13.942 -3.735 1.00 0.00 O ATOM 0 H ASP A 56 2.751 -11.398 -2.714 1.00 0.00 H new ATOM 0 HA ASP A 56 5.440 -11.584 -1.477 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.329 -13.850 -1.801 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.370 -13.548 -3.527 1.00 0.00 H new ATOM 842 N MET A 57 6.260 -11.449 -4.319 1.00 0.00 N ATOM 843 CA MET A 57 7.120 -10.777 -5.352 1.00 0.00 C ATOM 844 C MET A 57 6.577 -9.521 -6.042 1.00 0.00 C ATOM 845 O MET A 57 7.192 -8.475 -5.968 1.00 0.00 O ATOM 846 CB MET A 57 7.477 -11.768 -6.480 1.00 0.00 C ATOM 847 CG MET A 57 8.400 -12.931 -6.135 1.00 0.00 C ATOM 848 SD MET A 57 10.027 -12.425 -5.537 1.00 0.00 S ATOM 849 CE MET A 57 10.876 -14.008 -5.530 1.00 0.00 C ATOM 0 H MET A 57 6.471 -12.445 -4.256 1.00 0.00 H new ATOM 0 HA MET A 57 7.967 -10.448 -4.750 1.00 0.00 H new ATOM 0 HB2 MET A 57 6.547 -12.182 -6.870 1.00 0.00 H new ATOM 0 HB3 MET A 57 7.938 -11.203 -7.290 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.921 -13.549 -5.375 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.527 -13.555 -7.019 1.00 0.00 H new ATOM 0 HE1 MET A 57 11.900 -13.870 -5.183 1.00 0.00 H new ATOM 0 HE2 MET A 57 10.357 -14.696 -4.863 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.887 -14.419 -6.539 1.00 0.00 H new ATOM 859 N ASN A 58 5.431 -9.612 -6.667 1.00 0.00 N ATOM 860 CA ASN A 58 5.004 -8.530 -7.576 1.00 0.00 C ATOM 861 C ASN A 58 3.914 -7.673 -6.945 1.00 0.00 C ATOM 862 O ASN A 58 3.209 -6.946 -7.627 1.00 0.00 O ATOM 863 CB ASN A 58 4.499 -9.163 -8.900 1.00 0.00 C ATOM 864 CG ASN A 58 4.464 -8.203 -10.106 1.00 0.00 C ATOM 865 OD1 ASN A 58 5.431 -8.094 -10.839 1.00 0.00 O ATOM 866 ND2 ASN A 58 3.364 -7.522 -10.319 1.00 0.00 N ATOM 0 H ASN A 58 4.779 -10.392 -6.581 1.00 0.00 H new ATOM 0 HA ASN A 58 5.853 -7.877 -7.776 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.138 -10.011 -9.147 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.496 -9.557 -8.738 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.305 -6.884 -11.113 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.567 -7.630 -9.691 1.00 0.00 H new ATOM 873 N GLY A 59 3.787 -7.736 -5.637 1.00 0.00 N ATOM 874 CA GLY A 59 2.704 -7.003 -4.999 1.00 0.00 C ATOM 875 C GLY A 59 1.429 -7.694 -5.253 1.00 0.00 C ATOM 876 O GLY A 59 0.394 -7.086 -5.402 1.00 0.00 O ATOM 0 H GLY A 59 4.393 -8.265 -5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.883 -6.929 -3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.662 -5.985 -5.386 1.00 0.00 H new ATOM 880 N LYS A 60 1.529 -8.976 -5.326 1.00 0.00 N ATOM 881 CA LYS A 60 0.406 -9.808 -5.491 1.00 0.00 C ATOM 882 C LYS A 60 0.145 -10.528 -4.261 1.00 0.00 C ATOM 883 O LYS A 60 1.059 -10.784 -3.455 1.00 0.00 O ATOM 884 CB LYS A 60 0.539 -10.795 -6.624 1.00 0.00 C ATOM 885 CG LYS A 60 0.231 -10.263 -8.001 1.00 0.00 C ATOM 886 CD LYS A 60 -0.066 -11.421 -8.968 1.00 0.00 C ATOM 887 CE LYS A 60 -1.514 -12.007 -8.820 1.00 0.00 C ATOM 888 NZ LYS A 60 -1.899 -12.400 -7.425 1.00 0.00 N ATOM 0 H LYS A 60 2.415 -9.478 -5.271 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.425 -9.149 -5.744 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.558 -11.182 -6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.122 -11.638 -6.425 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.625 -9.590 -7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.075 -9.680 -8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.073 -11.073 -9.992 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.658 -12.218 -8.801 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.228 -11.268 -9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.604 -12.881 -9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.828 -12.868 -7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.188 -13.054 -7.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.949 -11.551 -6.826 1.00 0.00 H new ATOM 902 N CYS A 61 -1.063 -10.836 -4.118 1.00 0.00 N ATOM 903 CA CYS A 61 -1.554 -11.514 -3.011 1.00 0.00 C ATOM 904 C CYS A 61 -1.805 -12.916 -3.449 1.00 0.00 C ATOM 905 O CYS A 61 -2.532 -13.156 -4.435 1.00 0.00 O ATOM 906 CB CYS A 61 -2.827 -10.850 -2.609 1.00 0.00 C ATOM 907 SG CYS A 61 -3.599 -11.401 -1.047 1.00 0.00 S ATOM 0 H CYS A 61 -1.779 -10.610 -4.808 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.866 -11.507 -2.165 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -2.640 -9.779 -2.534 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.550 -10.992 -3.412 1.00 0.00 H new ATOM 912 N GLU A 62 -1.193 -13.790 -2.773 1.00 0.00 N ATOM 913 CA GLU A 62 -1.245 -15.177 -3.035 1.00 0.00 C ATOM 914 C GLU A 62 -1.771 -15.836 -1.765 1.00 0.00 C ATOM 915 O GLU A 62 -2.927 -16.271 -1.751 1.00 0.00 O ATOM 916 CB GLU A 62 0.160 -15.736 -3.380 1.00 0.00 C ATOM 917 CG GLU A 62 0.964 -14.979 -4.470 1.00 0.00 C ATOM 918 CD GLU A 62 0.311 -14.932 -5.852 1.00 0.00 C ATOM 919 OE1 GLU A 62 0.170 -15.979 -6.497 1.00 0.00 O ATOM 920 OE2 GLU A 62 -0.028 -13.813 -6.322 1.00 0.00 O ATOM 921 OXT GLU A 62 -1.032 -15.808 -0.733 1.00 0.00 O ATOM 0 H GLU A 62 -0.605 -13.554 -1.973 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.888 -15.381 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.754 -15.749 -2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.045 -16.772 -3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.131 -13.957 -4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.944 -15.447 -4.565 1.00 0.00 H new TER 928 GLU A 62