USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 634 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 28 LYS NZ :NH3+ -137:sc= -0.959 (180deg=0) USER MOD Set 1.2: A 54 ASN : amide:sc= -2.1 K(o=-3.1,f=-4.1!) USER MOD Set 2.1: A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.14) USER MOD Single : A 8 MET CE :methyl -136:sc= -1.17 (180deg=-6.04!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 146:sc= 1.06 (180deg=-0.625!) USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 19 SER OG : rot 58:sc= -0.66 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc=-0.000824 X(o=-0.00082,f=-0.33) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00426) USER MOD Single : A 36 LYS NZ :NH3+ 152:sc= -0.0826 (180deg=-0.544) USER MOD Single : A 37 LYS NZ :NH3+ -116:sc= 0.609 (180deg=-0.00416) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -2.64! C(o=-4.7!,f=-2.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0239 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0376 USER MOD Single : A 51 HIS : no HD1:sc= -0.661 X(o=-0.66,f=-0.54) USER MOD Single : A 52 TYR OH : rot 43:sc= -0.0972 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -9.1! C(o=-13!,f=-9.1!) USER MOD Single : A 68 THR OG1 : rot 89:sc= 0.68 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 81:sc= -1.26! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0123 X(o=-0.012,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 4.038 -11.458 2.925 1.00 0.00 N ATOM 2 CA ARG A 1 5.354 -11.377 2.314 1.00 0.00 C ATOM 3 C ARG A 1 5.337 -12.024 0.928 1.00 0.00 C ATOM 4 O ARG A 1 5.344 -13.249 0.810 1.00 0.00 O ATOM 5 CB ARG A 1 6.408 -12.071 3.180 1.00 0.00 C ATOM 6 CG ARG A 1 7.517 -11.096 3.581 1.00 0.00 C ATOM 7 CD ARG A 1 8.599 -11.022 2.501 1.00 0.00 C ATOM 8 NE ARG A 1 9.914 -11.379 3.077 1.00 0.00 N ATOM 9 CZ ARG A 1 10.362 -12.635 3.207 1.00 0.00 C ATOM 10 NH1 ARG A 1 9.602 -13.662 2.803 1.00 0.00 N ATOM 11 NH2 ARG A 1 11.570 -12.865 3.741 1.00 0.00 N ATOM 0 H1 ARG A 1 4.064 -11.015 3.866 1.00 0.00 H new ATOM 0 H2 ARG A 1 3.347 -10.961 2.327 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.760 -12.456 3.020 1.00 0.00 H new ATOM 0 HA ARG A 1 5.612 -10.322 2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 1 5.937 -12.480 4.074 1.00 0.00 H new ATOM 0 HB3 ARG A 1 6.837 -12.911 2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 1 7.093 -10.105 3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 1 7.961 -11.413 4.525 1.00 0.00 H new ATOM 0 HD2 ARG A 1 8.355 -11.700 1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 1 8.637 -10.017 2.081 1.00 0.00 H new ATOM 0 HE ARG A 1 10.518 -10.621 3.395 1.00 0.00 H new ATOM 0 HH11 ARG A 1 8.683 -13.487 2.397 1.00 0.00 H new ATOM 0 HH12 ARG A 1 9.943 -14.618 2.902 1.00 0.00 H new ATOM 0 HH21 ARG A 1 12.149 -12.083 4.049 1.00 0.00 H new ATOM 0 HH22 ARG A 1 11.910 -13.821 3.840 1.00 0.00 H new ATOM 25 N SER A 2 5.313 -11.173 -0.087 1.00 0.00 N ATOM 26 CA SER A 2 5.294 -11.647 -1.460 1.00 0.00 C ATOM 27 C SER A 2 5.448 -10.468 -2.423 1.00 0.00 C ATOM 28 O SER A 2 5.555 -9.320 -1.993 1.00 0.00 O ATOM 29 CB SER A 2 4.003 -12.412 -1.761 1.00 0.00 C ATOM 30 OG SER A 2 4.258 -13.642 -2.436 1.00 0.00 O ATOM 0 H SER A 2 5.306 -10.158 0.014 1.00 0.00 H new ATOM 0 HA SER A 2 6.131 -12.332 -1.597 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.474 -12.612 -0.829 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.348 -11.792 -2.372 1.00 0.00 H new ATOM 0 HG SER A 2 3.410 -14.102 -2.609 1.00 0.00 H new ATOM 36 N ALA A 3 5.453 -10.790 -3.708 1.00 0.00 N ATOM 37 CA ALA A 3 5.591 -9.772 -4.735 1.00 0.00 C ATOM 38 C ALA A 3 4.495 -8.720 -4.555 1.00 0.00 C ATOM 39 O ALA A 3 4.750 -7.525 -4.688 1.00 0.00 O ATOM 40 CB ALA A 3 5.548 -10.430 -6.116 1.00 0.00 C ATOM 0 H ALA A 3 5.364 -11.743 -4.062 1.00 0.00 H new ATOM 0 HA ALA A 3 6.552 -9.265 -4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.652 -9.666 -6.886 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.365 -11.146 -6.203 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.597 -10.947 -6.243 1.00 0.00 H new ATOM 46 N LEU A 4 3.298 -9.204 -4.257 1.00 0.00 N ATOM 47 CA LEU A 4 2.162 -8.321 -4.058 1.00 0.00 C ATOM 48 C LEU A 4 2.472 -7.347 -2.919 1.00 0.00 C ATOM 49 O LEU A 4 2.604 -6.145 -3.143 1.00 0.00 O ATOM 50 CB LEU A 4 0.884 -9.132 -3.842 1.00 0.00 C ATOM 51 CG LEU A 4 0.110 -9.513 -5.106 1.00 0.00 C ATOM 52 CD1 LEU A 4 -0.402 -8.267 -5.832 1.00 0.00 C ATOM 53 CD2 LEU A 4 0.956 -10.402 -6.020 1.00 0.00 C ATOM 0 H LEU A 4 3.091 -10.197 -4.149 1.00 0.00 H new ATOM 0 HA LEU A 4 1.984 -7.722 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.143 -10.047 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.221 -8.562 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.763 -10.094 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.948 -8.566 -6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.065 -7.708 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.442 -7.638 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.382 -10.658 -6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.860 -9.868 -6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.229 -11.314 -5.489 1.00 0.00 H new ATOM 65 N SER A 5 2.580 -7.903 -1.721 1.00 0.00 N ATOM 66 CA SER A 5 2.872 -7.099 -0.546 1.00 0.00 C ATOM 67 C SER A 5 3.751 -5.908 -0.932 1.00 0.00 C ATOM 68 O SER A 5 3.451 -4.769 -0.577 1.00 0.00 O ATOM 69 CB SER A 5 3.557 -7.936 0.537 1.00 0.00 C ATOM 70 OG SER A 5 2.783 -7.999 1.732 1.00 0.00 O ATOM 0 H SER A 5 2.471 -8.901 -1.539 1.00 0.00 H new ATOM 0 HA SER A 5 1.930 -6.730 -0.141 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.727 -8.945 0.162 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.535 -7.510 0.760 1.00 0.00 H new ATOM 0 HG SER A 5 3.253 -8.543 2.398 1.00 0.00 H new ATOM 76 N CYS A 6 4.820 -6.212 -1.654 1.00 0.00 N ATOM 77 CA CYS A 6 5.745 -5.180 -2.092 1.00 0.00 C ATOM 78 C CYS A 6 4.962 -4.149 -2.907 1.00 0.00 C ATOM 79 O CYS A 6 4.733 -3.032 -2.446 1.00 0.00 O ATOM 80 CB CYS A 6 6.914 -5.768 -2.886 1.00 0.00 C ATOM 81 SG CYS A 6 7.683 -4.618 -4.084 1.00 0.00 S ATOM 0 H CYS A 6 5.066 -7.158 -1.946 1.00 0.00 H new ATOM 0 HA CYS A 6 6.190 -4.694 -1.224 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.678 -6.105 -2.185 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.563 -6.649 -3.423 1.00 0.00 H new ATOM 86 N GLN A 7 4.575 -4.560 -4.106 1.00 0.00 N ATOM 87 CA GLN A 7 3.823 -3.685 -4.989 1.00 0.00 C ATOM 88 C GLN A 7 2.783 -2.893 -4.195 1.00 0.00 C ATOM 89 O GLN A 7 2.692 -1.674 -4.327 1.00 0.00 O ATOM 90 CB GLN A 7 3.161 -4.481 -6.116 1.00 0.00 C ATOM 91 CG GLN A 7 4.199 -4.956 -7.136 1.00 0.00 C ATOM 92 CD GLN A 7 4.256 -4.013 -8.340 1.00 0.00 C ATOM 93 OE1 GLN A 7 3.259 -3.726 -8.983 1.00 0.00 O ATOM 94 NE2 GLN A 7 5.473 -3.551 -8.608 1.00 0.00 N ATOM 0 H GLN A 7 4.768 -5.487 -4.486 1.00 0.00 H new ATOM 0 HA GLN A 7 4.517 -2.979 -5.445 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.636 -5.340 -5.699 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.414 -3.862 -6.613 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.180 -5.009 -6.664 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.951 -5.964 -7.470 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.264 -3.832 -8.029 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.616 -2.915 -9.393 1.00 0.00 H new ATOM 103 N MET A 8 2.025 -3.618 -3.386 1.00 0.00 N ATOM 104 CA MET A 8 0.995 -2.999 -2.568 1.00 0.00 C ATOM 105 C MET A 8 1.532 -1.752 -1.863 1.00 0.00 C ATOM 106 O MET A 8 0.801 -0.782 -1.666 1.00 0.00 O ATOM 107 CB MET A 8 0.498 -4.002 -1.525 1.00 0.00 C ATOM 108 CG MET A 8 -0.160 -5.209 -2.197 1.00 0.00 C ATOM 109 SD MET A 8 -1.455 -5.858 -1.153 1.00 0.00 S ATOM 110 CE MET A 8 -1.854 -7.351 -2.046 1.00 0.00 C ATOM 0 H MET A 8 2.103 -4.629 -3.279 1.00 0.00 H new ATOM 0 HA MET A 8 0.172 -2.701 -3.217 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.333 -4.335 -0.908 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.216 -3.517 -0.860 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.572 -4.918 -3.163 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.586 -5.981 -2.388 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.937 -7.461 -2.105 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.440 -7.295 -3.053 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.429 -8.210 -1.527 1.00 0.00 H new ATOM 120 N CYS A 9 2.805 -1.818 -1.501 1.00 0.00 N ATOM 121 CA CYS A 9 3.448 -0.707 -0.821 1.00 0.00 C ATOM 122 C CYS A 9 3.526 0.472 -1.794 1.00 0.00 C ATOM 123 O CYS A 9 3.235 1.608 -1.424 1.00 0.00 O ATOM 124 CB CYS A 9 4.826 -1.094 -0.282 1.00 0.00 C ATOM 125 SG CYS A 9 5.842 0.309 0.308 1.00 0.00 S ATOM 0 H CYS A 9 3.408 -2.624 -1.666 1.00 0.00 H new ATOM 0 HA CYS A 9 2.858 -0.420 0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.694 -1.799 0.539 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.374 -1.616 -1.066 1.00 0.00 H new ATOM 130 N GLU A 10 3.921 0.161 -3.020 1.00 0.00 N ATOM 131 CA GLU A 10 4.042 1.179 -4.049 1.00 0.00 C ATOM 132 C GLU A 10 2.673 1.796 -4.347 1.00 0.00 C ATOM 133 O GLU A 10 2.580 2.790 -5.065 1.00 0.00 O ATOM 134 CB GLU A 10 4.672 0.604 -5.318 1.00 0.00 C ATOM 135 CG GLU A 10 6.026 1.257 -5.603 1.00 0.00 C ATOM 136 CD GLU A 10 6.775 0.508 -6.707 1.00 0.00 C ATOM 137 OE1 GLU A 10 6.729 -0.740 -6.678 1.00 0.00 O ATOM 138 OE2 GLU A 10 7.375 1.203 -7.556 1.00 0.00 O ATOM 0 H GLU A 10 4.161 -0.783 -3.324 1.00 0.00 H new ATOM 0 HA GLU A 10 4.701 1.965 -3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.800 -0.473 -5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.003 0.762 -6.164 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.878 2.295 -5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.627 1.268 -4.694 1.00 0.00 H new ATOM 146 N LEU A 11 1.646 1.181 -3.782 1.00 0.00 N ATOM 147 CA LEU A 11 0.287 1.657 -3.977 1.00 0.00 C ATOM 148 C LEU A 11 -0.077 2.625 -2.850 1.00 0.00 C ATOM 149 O LEU A 11 -0.544 3.734 -3.106 1.00 0.00 O ATOM 150 CB LEU A 11 -0.680 0.479 -4.112 1.00 0.00 C ATOM 151 CG LEU A 11 -2.163 0.837 -4.221 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.439 1.655 -5.484 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.037 -0.416 -4.146 1.00 0.00 C ATOM 0 H LEU A 11 1.727 0.356 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 11 0.209 2.212 -4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.400 -0.096 -4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.547 -0.175 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.426 1.464 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.501 1.896 -5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.859 2.577 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.154 1.075 -6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.087 -0.133 -4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.779 -1.089 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.869 -0.921 -3.195 1.00 0.00 H new ATOM 165 N VAL A 12 0.151 2.172 -1.626 1.00 0.00 N ATOM 166 CA VAL A 12 -0.147 2.985 -0.459 1.00 0.00 C ATOM 167 C VAL A 12 0.724 4.242 -0.484 1.00 0.00 C ATOM 168 O VAL A 12 0.240 5.341 -0.220 1.00 0.00 O ATOM 169 CB VAL A 12 0.033 2.157 0.815 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.732 0.835 0.722 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.515 1.913 1.105 1.00 0.00 C ATOM 0 H VAL A 12 0.539 1.252 -1.417 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.187 3.310 -0.474 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.382 2.727 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.587 0.266 1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.794 1.038 0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.360 0.258 -0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.615 1.322 2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.965 1.374 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.022 2.869 1.235 1.00 0.00 H new ATOM 181 N VAL A 13 1.994 4.038 -0.801 1.00 0.00 N ATOM 182 CA VAL A 13 2.937 5.142 -0.862 1.00 0.00 C ATOM 183 C VAL A 13 2.494 6.125 -1.947 1.00 0.00 C ATOM 184 O VAL A 13 2.263 7.301 -1.667 1.00 0.00 O ATOM 185 CB VAL A 13 4.353 4.608 -1.083 1.00 0.00 C ATOM 186 CG1 VAL A 13 4.740 3.612 0.013 1.00 0.00 C ATOM 187 CG2 VAL A 13 4.493 3.980 -2.470 1.00 0.00 C ATOM 0 H VAL A 13 2.392 3.124 -1.018 1.00 0.00 H new ATOM 0 HA VAL A 13 2.952 5.685 0.083 1.00 0.00 H new ATOM 0 HB VAL A 13 5.041 5.451 -1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.751 3.247 -0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.700 4.106 0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.045 2.773 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.509 3.609 -2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.789 3.153 -2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.280 4.730 -3.232 1.00 0.00 H new ATOM 197 N LYS A 14 2.388 5.609 -3.163 1.00 0.00 N ATOM 198 CA LYS A 14 1.976 6.427 -4.291 1.00 0.00 C ATOM 199 C LYS A 14 0.747 7.248 -3.898 1.00 0.00 C ATOM 200 O LYS A 14 0.529 8.337 -4.426 1.00 0.00 O ATOM 201 CB LYS A 14 1.765 5.560 -5.533 1.00 0.00 C ATOM 202 CG LYS A 14 1.277 6.402 -6.714 1.00 0.00 C ATOM 203 CD LYS A 14 1.235 5.573 -7.998 1.00 0.00 C ATOM 204 CE LYS A 14 -0.112 5.727 -8.707 1.00 0.00 C ATOM 205 NZ LYS A 14 0.042 6.521 -9.946 1.00 0.00 N ATOM 0 H LYS A 14 2.581 4.634 -3.392 1.00 0.00 H new ATOM 0 HA LYS A 14 2.762 7.135 -4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.699 5.064 -5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.038 4.777 -5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.284 6.796 -6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.937 7.259 -6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.039 5.887 -8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.408 4.523 -7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.518 4.744 -8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.826 6.214 -8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.882 6.616 -10.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.409 7.465 -9.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.707 6.041 -10.586 1.00 0.00 H new ATOM 219 N LYS A 15 -0.024 6.694 -2.973 1.00 0.00 N ATOM 220 CA LYS A 15 -1.227 7.362 -2.503 1.00 0.00 C ATOM 221 C LYS A 15 -0.850 8.389 -1.434 1.00 0.00 C ATOM 222 O LYS A 15 -1.385 9.496 -1.415 1.00 0.00 O ATOM 223 CB LYS A 15 -2.260 6.337 -2.035 1.00 0.00 C ATOM 224 CG LYS A 15 -2.858 5.577 -3.221 1.00 0.00 C ATOM 225 CD LYS A 15 -3.630 6.522 -4.144 1.00 0.00 C ATOM 226 CE LYS A 15 -4.461 5.736 -5.160 1.00 0.00 C ATOM 227 NZ LYS A 15 -5.396 6.637 -5.871 1.00 0.00 N ATOM 0 H LYS A 15 0.161 5.791 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.702 7.909 -3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.792 5.633 -1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.054 6.842 -1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.063 5.085 -3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.523 4.794 -2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.284 7.162 -3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.932 7.176 -4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.802 5.246 -5.877 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.019 4.950 -4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.514 6.311 -6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.318 6.630 -5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.013 7.604 -5.871 1.00 0.00 H new ATOM 241 N TYR A 16 0.070 7.986 -0.570 1.00 0.00 N ATOM 242 CA TYR A 16 0.525 8.856 0.500 1.00 0.00 C ATOM 243 C TYR A 16 1.464 9.939 -0.036 1.00 0.00 C ATOM 244 O TYR A 16 1.128 11.122 -0.015 1.00 0.00 O ATOM 245 CB TYR A 16 1.298 7.963 1.471 1.00 0.00 C ATOM 246 CG TYR A 16 1.859 8.704 2.687 1.00 0.00 C ATOM 247 CD1 TYR A 16 1.537 10.029 2.896 1.00 0.00 C ATOM 248 CD2 TYR A 16 2.687 8.047 3.574 1.00 0.00 C ATOM 249 CE1 TYR A 16 2.064 10.727 4.040 1.00 0.00 C ATOM 250 CE2 TYR A 16 3.214 8.744 4.719 1.00 0.00 C ATOM 251 CZ TYR A 16 2.877 10.049 4.895 1.00 0.00 C ATOM 252 OH TYR A 16 3.376 10.708 5.976 1.00 0.00 O ATOM 0 H TYR A 16 0.513 7.067 -0.590 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.320 9.355 0.974 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.641 7.165 1.816 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.121 7.489 0.936 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.889 10.543 2.201 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.940 7.010 3.410 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.820 11.764 4.215 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.862 8.241 5.422 1.00 0.00 H new ATOM 0 HH TYR A 16 2.744 11.402 6.256 1.00 0.00 H new ATOM 262 N GLU A 17 2.621 9.495 -0.503 1.00 0.00 N ATOM 263 CA GLU A 17 3.611 10.412 -1.044 1.00 0.00 C ATOM 264 C GLU A 17 2.956 11.377 -2.034 1.00 0.00 C ATOM 265 O GLU A 17 3.343 12.541 -2.120 1.00 0.00 O ATOM 266 CB GLU A 17 4.762 9.649 -1.702 1.00 0.00 C ATOM 267 CG GLU A 17 5.653 8.987 -0.650 1.00 0.00 C ATOM 268 CD GLU A 17 6.541 10.021 0.047 1.00 0.00 C ATOM 269 OE1 GLU A 17 7.222 10.769 -0.687 1.00 0.00 O ATOM 270 OE2 GLU A 17 6.518 10.039 1.296 1.00 0.00 O ATOM 0 H GLU A 17 2.896 8.513 -0.518 1.00 0.00 H new ATOM 0 HA GLU A 17 4.027 10.994 -0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.362 8.890 -2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.356 10.332 -2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.033 8.478 0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.276 8.227 -1.122 1.00 0.00 H new ATOM 278 N GLY A 18 1.974 10.857 -2.756 1.00 0.00 N ATOM 279 CA GLY A 18 1.262 11.658 -3.737 1.00 0.00 C ATOM 280 C GLY A 18 -0.221 11.776 -3.376 1.00 0.00 C ATOM 281 O GLY A 18 -1.085 11.681 -4.246 1.00 0.00 O ATOM 0 H GLY A 18 1.655 9.891 -2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.707 12.652 -3.792 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.365 11.207 -4.724 1.00 0.00 H new ATOM 285 N SER A 19 -0.469 11.982 -2.091 1.00 0.00 N ATOM 286 CA SER A 19 -1.832 12.113 -1.604 1.00 0.00 C ATOM 287 C SER A 19 -2.299 13.563 -1.743 1.00 0.00 C ATOM 288 O SER A 19 -3.361 13.826 -2.304 1.00 0.00 O ATOM 289 CB SER A 19 -1.944 11.657 -0.149 1.00 0.00 C ATOM 290 OG SER A 19 -3.117 10.881 0.079 1.00 0.00 O ATOM 0 H SER A 19 0.250 12.061 -1.372 1.00 0.00 H new ATOM 0 HA SER A 19 -2.474 11.471 -2.207 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.064 11.070 0.116 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.954 12.529 0.504 1.00 0.00 H new ATOM 0 HG SER A 19 -3.113 10.101 -0.514 1.00 0.00 H new ATOM 296 N ALA A 20 -1.482 14.467 -1.222 1.00 0.00 N ATOM 297 CA ALA A 20 -1.799 15.885 -1.280 1.00 0.00 C ATOM 298 C ALA A 20 -2.868 16.207 -0.235 1.00 0.00 C ATOM 299 O ALA A 20 -3.306 17.351 -0.124 1.00 0.00 O ATOM 300 CB ALA A 20 -2.241 16.251 -2.699 1.00 0.00 C ATOM 0 H ALA A 20 -0.601 14.246 -0.758 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.920 16.485 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.479 17.314 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.436 16.030 -3.399 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.124 15.670 -2.966 1.00 0.00 H new ATOM 306 N ASP A 21 -3.256 15.179 0.506 1.00 0.00 N ATOM 307 CA ASP A 21 -4.265 15.339 1.539 1.00 0.00 C ATOM 308 C ASP A 21 -3.636 15.067 2.906 1.00 0.00 C ATOM 309 O ASP A 21 -4.248 15.335 3.939 1.00 0.00 O ATOM 310 CB ASP A 21 -5.416 14.350 1.342 1.00 0.00 C ATOM 311 CG ASP A 21 -6.740 14.762 1.989 1.00 0.00 C ATOM 312 OD1 ASP A 21 -7.451 15.575 1.360 1.00 0.00 O ATOM 313 OD2 ASP A 21 -7.011 14.255 3.100 1.00 0.00 O ATOM 0 H ASP A 21 -2.889 14.232 0.411 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.650 16.357 1.480 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.578 14.213 0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.117 13.383 1.746 1.00 0.00 H new ATOM 319 N LYS A 22 -2.422 14.537 2.869 1.00 0.00 N ATOM 320 CA LYS A 22 -1.704 14.226 4.093 1.00 0.00 C ATOM 321 C LYS A 22 -2.658 13.551 5.081 1.00 0.00 C ATOM 322 O LYS A 22 -3.008 14.134 6.107 1.00 0.00 O ATOM 323 CB LYS A 22 -1.026 15.479 4.650 1.00 0.00 C ATOM 324 CG LYS A 22 -0.245 16.212 3.558 1.00 0.00 C ATOM 325 CD LYS A 22 0.961 15.390 3.100 1.00 0.00 C ATOM 326 CE LYS A 22 2.271 16.081 3.482 1.00 0.00 C ATOM 327 NZ LYS A 22 3.303 15.079 3.833 1.00 0.00 N ATOM 0 H LYS A 22 -1.918 14.315 2.011 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.899 13.519 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.777 16.145 5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.352 15.202 5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.899 16.409 2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.091 17.179 3.933 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.923 14.399 3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.921 15.250 2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.620 16.696 2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.103 16.750 4.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.186 15.565 4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.974 14.510 4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.475 14.457 3.017 1.00 0.00 H new ATOM 341 N ASP A 23 -3.051 12.334 4.738 1.00 0.00 N ATOM 342 CA ASP A 23 -3.957 11.574 5.583 1.00 0.00 C ATOM 343 C ASP A 23 -3.847 10.089 5.234 1.00 0.00 C ATOM 344 O ASP A 23 -4.227 9.674 4.140 1.00 0.00 O ATOM 345 CB ASP A 23 -5.408 12.006 5.361 1.00 0.00 C ATOM 346 CG ASP A 23 -6.141 12.480 6.617 1.00 0.00 C ATOM 347 OD1 ASP A 23 -5.687 12.097 7.717 1.00 0.00 O ATOM 348 OD2 ASP A 23 -7.139 13.214 6.449 1.00 0.00 O ATOM 0 H ASP A 23 -2.759 11.855 3.886 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.682 11.754 6.622 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.423 12.810 4.625 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.959 11.169 4.931 1.00 0.00 H new ATOM 354 N ALA A 24 -3.325 9.327 6.185 1.00 0.00 N ATOM 355 CA ALA A 24 -3.160 7.897 5.992 1.00 0.00 C ATOM 356 C ALA A 24 -4.534 7.249 5.808 1.00 0.00 C ATOM 357 O ALA A 24 -4.629 6.087 5.417 1.00 0.00 O ATOM 358 CB ALA A 24 -2.392 7.307 7.177 1.00 0.00 C ATOM 0 H ALA A 24 -3.011 9.674 7.091 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.578 7.696 5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.268 6.234 7.032 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.412 7.779 7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.948 7.487 8.097 1.00 0.00 H new ATOM 364 N ASN A 25 -5.564 8.031 6.098 1.00 0.00 N ATOM 365 CA ASN A 25 -6.929 7.548 5.969 1.00 0.00 C ATOM 366 C ASN A 25 -7.331 7.557 4.493 1.00 0.00 C ATOM 367 O ASN A 25 -7.795 6.546 3.966 1.00 0.00 O ATOM 368 CB ASN A 25 -7.905 8.448 6.729 1.00 0.00 C ATOM 369 CG ASN A 25 -8.756 7.632 7.705 1.00 0.00 C ATOM 370 OD1 ASN A 25 -9.678 6.928 7.326 1.00 0.00 O ATOM 371 ND2 ASN A 25 -8.397 7.764 8.979 1.00 0.00 N ATOM 0 H ASN A 25 -5.481 8.995 6.422 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.971 6.540 6.382 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.351 9.212 7.275 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.552 8.967 6.022 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.903 7.259 9.706 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.615 8.370 9.228 1.00 0.00 H new ATOM 378 N VAL A 26 -7.140 8.708 3.867 1.00 0.00 N ATOM 379 CA VAL A 26 -7.477 8.861 2.461 1.00 0.00 C ATOM 380 C VAL A 26 -6.436 8.132 1.609 1.00 0.00 C ATOM 381 O VAL A 26 -6.608 7.989 0.399 1.00 0.00 O ATOM 382 CB VAL A 26 -7.601 10.345 2.112 1.00 0.00 C ATOM 383 CG1 VAL A 26 -8.488 10.546 0.881 1.00 0.00 C ATOM 384 CG2 VAL A 26 -8.128 11.147 3.304 1.00 0.00 C ATOM 0 H VAL A 26 -6.756 9.544 4.307 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.446 8.408 2.249 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.605 10.717 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.560 11.610 0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.053 10.022 0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.483 10.150 1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.207 12.199 3.029 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.111 10.772 3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.442 11.042 4.145 1.00 0.00 H new ATOM 394 N ILE A 27 -5.378 7.690 2.274 1.00 0.00 N ATOM 395 CA ILE A 27 -4.309 6.978 1.593 1.00 0.00 C ATOM 396 C ILE A 27 -4.622 5.481 1.586 1.00 0.00 C ATOM 397 O ILE A 27 -5.034 4.934 0.564 1.00 0.00 O ATOM 398 CB ILE A 27 -2.956 7.321 2.218 1.00 0.00 C ATOM 399 CG1 ILE A 27 -2.604 8.793 1.993 1.00 0.00 C ATOM 400 CG2 ILE A 27 -1.860 6.385 1.700 1.00 0.00 C ATOM 401 CD1 ILE A 27 -1.504 9.247 2.955 1.00 0.00 C ATOM 0 H ILE A 27 -5.238 7.811 3.277 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.243 7.294 0.552 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.029 7.169 3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.275 8.939 0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.492 9.409 2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.908 6.650 2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.111 5.355 1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.780 6.483 0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.273 10.297 2.774 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.845 9.123 3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.609 8.645 2.795 1.00 0.00 H new ATOM 413 N LYS A 28 -4.415 4.860 2.738 1.00 0.00 N ATOM 414 CA LYS A 28 -4.671 3.437 2.878 1.00 0.00 C ATOM 415 C LYS A 28 -5.953 3.077 2.124 1.00 0.00 C ATOM 416 O LYS A 28 -6.042 2.011 1.516 1.00 0.00 O ATOM 417 CB LYS A 28 -4.692 3.039 4.355 1.00 0.00 C ATOM 418 CG LYS A 28 -6.092 3.208 4.948 1.00 0.00 C ATOM 419 CD LYS A 28 -6.018 3.566 6.434 1.00 0.00 C ATOM 420 CE LYS A 28 -5.699 2.331 7.279 1.00 0.00 C ATOM 421 NZ LYS A 28 -6.347 2.430 8.606 1.00 0.00 N ATOM 0 H LYS A 28 -4.073 5.317 3.583 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.864 2.858 2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.371 2.003 4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.981 3.651 4.910 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.628 3.989 4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.659 2.286 4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.253 4.326 6.591 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.966 3.997 6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.043 1.433 6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.620 2.235 7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.679 2.124 9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.628 3.416 8.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.189 1.820 8.627 1.00 0.00 H new ATOM 435 N LYS A 29 -6.915 3.985 2.190 1.00 0.00 N ATOM 436 CA LYS A 29 -8.189 3.777 1.522 1.00 0.00 C ATOM 437 C LYS A 29 -7.974 3.793 0.008 1.00 0.00 C ATOM 438 O LYS A 29 -8.319 2.836 -0.682 1.00 0.00 O ATOM 439 CB LYS A 29 -9.221 4.795 2.008 1.00 0.00 C ATOM 440 CG LYS A 29 -9.887 4.327 3.304 1.00 0.00 C ATOM 441 CD LYS A 29 -10.583 5.489 4.015 1.00 0.00 C ATOM 442 CE LYS A 29 -11.363 6.351 3.020 1.00 0.00 C ATOM 443 NZ LYS A 29 -12.519 5.602 2.480 1.00 0.00 N ATOM 0 H LYS A 29 -6.838 4.867 2.696 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.597 2.799 1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.738 5.758 2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.979 4.945 1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.613 3.545 3.082 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.138 3.889 3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.261 5.101 4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.843 6.101 4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.709 7.261 3.511 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.708 6.658 2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.057 6.213 1.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.180 4.765 1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.134 5.301 3.263 1.00 0.00 H new ATOM 457 N ASP A 30 -7.405 4.893 -0.465 1.00 0.00 N ATOM 458 CA ASP A 30 -7.141 5.047 -1.885 1.00 0.00 C ATOM 459 C ASP A 30 -6.531 3.753 -2.430 1.00 0.00 C ATOM 460 O ASP A 30 -7.030 3.189 -3.402 1.00 0.00 O ATOM 461 CB ASP A 30 -6.146 6.181 -2.141 1.00 0.00 C ATOM 462 CG ASP A 30 -6.644 7.277 -3.085 1.00 0.00 C ATOM 463 OD1 ASP A 30 -7.307 6.911 -4.080 1.00 0.00 O ATOM 464 OD2 ASP A 30 -6.350 8.456 -2.792 1.00 0.00 O ATOM 0 H ASP A 30 -7.120 5.685 0.110 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.085 5.276 -2.380 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.884 6.636 -1.186 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.231 5.755 -2.553 1.00 0.00 H new ATOM 470 N PHE A 31 -5.462 3.320 -1.777 1.00 0.00 N ATOM 471 CA PHE A 31 -4.780 2.103 -2.184 1.00 0.00 C ATOM 472 C PHE A 31 -5.783 0.998 -2.517 1.00 0.00 C ATOM 473 O PHE A 31 -5.669 0.343 -3.552 1.00 0.00 O ATOM 474 CB PHE A 31 -3.920 1.656 -1.000 1.00 0.00 C ATOM 475 CG PHE A 31 -3.556 0.170 -1.021 1.00 0.00 C ATOM 476 CD1 PHE A 31 -4.476 -0.760 -0.650 1.00 0.00 C ATOM 477 CD2 PHE A 31 -2.314 -0.220 -1.412 1.00 0.00 C ATOM 478 CE1 PHE A 31 -4.138 -2.140 -0.670 1.00 0.00 C ATOM 479 CE2 PHE A 31 -1.976 -1.599 -1.431 1.00 0.00 C ATOM 480 CZ PHE A 31 -2.896 -2.530 -1.060 1.00 0.00 C ATOM 0 H PHE A 31 -5.052 3.790 -0.970 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.180 2.292 -3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.002 2.244 -0.988 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.452 1.876 -0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.463 -0.450 -0.340 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.584 0.519 -1.708 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.868 -2.879 -0.375 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.989 -1.909 -1.740 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.639 -3.579 -1.075 1.00 0.00 H new ATOM 490 N ASP A 32 -6.742 0.823 -1.620 1.00 0.00 N ATOM 491 CA ASP A 32 -7.765 -0.193 -1.806 1.00 0.00 C ATOM 492 C ASP A 32 -8.655 0.196 -2.988 1.00 0.00 C ATOM 493 O ASP A 32 -9.038 -0.656 -3.788 1.00 0.00 O ATOM 494 CB ASP A 32 -8.652 -0.314 -0.565 1.00 0.00 C ATOM 495 CG ASP A 32 -9.208 -1.715 -0.303 1.00 0.00 C ATOM 496 OD1 ASP A 32 -8.593 -2.675 -0.817 1.00 0.00 O ATOM 497 OD2 ASP A 32 -10.233 -1.795 0.407 1.00 0.00 O ATOM 0 H ASP A 32 -6.833 1.367 -0.762 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.266 -1.145 -1.987 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.078 0.002 0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.487 0.379 -0.664 1.00 0.00 H new ATOM 503 N ALA A 33 -8.959 1.484 -3.060 1.00 0.00 N ATOM 504 CA ALA A 33 -9.796 1.997 -4.132 1.00 0.00 C ATOM 505 C ALA A 33 -9.188 1.606 -5.480 1.00 0.00 C ATOM 506 O ALA A 33 -9.892 1.125 -6.367 1.00 0.00 O ATOM 507 CB ALA A 33 -9.952 3.510 -3.978 1.00 0.00 C ATOM 0 H ALA A 33 -8.641 2.188 -2.394 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.794 1.561 -4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.580 3.895 -4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.416 3.732 -3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.971 3.984 -4.025 1.00 0.00 H new ATOM 513 N GLU A 34 -7.886 1.828 -5.592 1.00 0.00 N ATOM 514 CA GLU A 34 -7.175 1.506 -6.818 1.00 0.00 C ATOM 515 C GLU A 34 -7.086 -0.011 -6.996 1.00 0.00 C ATOM 516 O GLU A 34 -7.675 -0.567 -7.922 1.00 0.00 O ATOM 517 CB GLU A 34 -5.784 2.142 -6.828 1.00 0.00 C ATOM 518 CG GLU A 34 -5.234 2.236 -8.253 1.00 0.00 C ATOM 519 CD GLU A 34 -5.913 3.366 -9.029 1.00 0.00 C ATOM 520 OE1 GLU A 34 -7.140 3.251 -9.242 1.00 0.00 O ATOM 521 OE2 GLU A 34 -5.190 4.319 -9.392 1.00 0.00 O ATOM 0 H GLU A 34 -7.305 2.227 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.733 1.919 -7.658 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.832 3.137 -6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.106 1.552 -6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.158 2.407 -8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.391 1.289 -8.770 1.00 0.00 H new ATOM 529 N CYS A 35 -6.343 -0.638 -6.096 1.00 0.00 N ATOM 530 CA CYS A 35 -6.169 -2.080 -6.142 1.00 0.00 C ATOM 531 C CYS A 35 -7.511 -2.715 -6.513 1.00 0.00 C ATOM 532 O CYS A 35 -7.549 -3.753 -7.171 1.00 0.00 O ATOM 533 CB CYS A 35 -5.625 -2.626 -4.820 1.00 0.00 C ATOM 534 SG CYS A 35 -5.253 -4.418 -4.826 1.00 0.00 S ATOM 0 H CYS A 35 -5.854 -0.174 -5.330 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.427 -2.335 -6.898 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.716 -2.081 -4.564 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.351 -2.422 -4.033 1.00 0.00 H new ATOM 539 N LYS A 36 -8.579 -2.063 -6.075 1.00 0.00 N ATOM 540 CA LYS A 36 -9.918 -2.552 -6.352 1.00 0.00 C ATOM 541 C LYS A 36 -10.101 -2.694 -7.864 1.00 0.00 C ATOM 542 O LYS A 36 -10.243 -3.805 -8.373 1.00 0.00 O ATOM 543 CB LYS A 36 -10.964 -1.652 -5.689 1.00 0.00 C ATOM 544 CG LYS A 36 -11.562 -2.325 -4.452 1.00 0.00 C ATOM 545 CD LYS A 36 -12.333 -3.590 -4.836 1.00 0.00 C ATOM 546 CE LYS A 36 -13.517 -3.818 -3.892 1.00 0.00 C ATOM 547 NZ LYS A 36 -14.536 -2.762 -4.077 1.00 0.00 N ATOM 0 H LYS A 36 -8.543 -1.201 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.060 -3.542 -5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.506 -0.704 -5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.756 -1.423 -6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.767 -2.578 -3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.228 -1.630 -3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.692 -3.504 -5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.666 -4.451 -4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.959 -4.796 -4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.171 -3.821 -2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.474 -3.138 -3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.315 -1.954 -3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.536 -2.450 -5.069 1.00 0.00 H new ATOM 561 N LYS A 37 -10.091 -1.555 -8.541 1.00 0.00 N ATOM 562 CA LYS A 37 -10.254 -1.540 -9.984 1.00 0.00 C ATOM 563 C LYS A 37 -8.972 -2.054 -10.643 1.00 0.00 C ATOM 564 O LYS A 37 -9.024 -2.892 -11.542 1.00 0.00 O ATOM 565 CB LYS A 37 -10.675 -0.148 -10.461 1.00 0.00 C ATOM 566 CG LYS A 37 -9.583 0.883 -10.175 1.00 0.00 C ATOM 567 CD LYS A 37 -8.576 0.951 -11.325 1.00 0.00 C ATOM 568 CE LYS A 37 -8.982 2.015 -12.347 1.00 0.00 C ATOM 569 NZ LYS A 37 -8.607 3.363 -11.866 1.00 0.00 N ATOM 0 H LYS A 37 -9.972 -0.635 -8.116 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.059 -2.212 -10.284 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.884 -0.174 -11.530 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.598 0.147 -9.963 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.035 1.864 -10.024 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.067 0.624 -9.250 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.585 1.178 -10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.510 -0.021 -11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.496 1.815 -13.302 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.057 1.970 -12.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.466 3.930 -11.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.089 3.280 -10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.002 3.828 -12.573 1.00 0.00 H new ATOM 583 N LEU A 38 -7.851 -1.530 -10.170 1.00 0.00 N ATOM 584 CA LEU A 38 -6.557 -1.925 -10.703 1.00 0.00 C ATOM 585 C LEU A 38 -6.438 -3.450 -10.662 1.00 0.00 C ATOM 586 O LEU A 38 -6.130 -4.079 -11.673 1.00 0.00 O ATOM 587 CB LEU A 38 -5.431 -1.200 -9.965 1.00 0.00 C ATOM 588 CG LEU A 38 -4.329 -2.089 -9.384 1.00 0.00 C ATOM 589 CD1 LEU A 38 -3.415 -2.623 -10.489 1.00 0.00 C ATOM 590 CD2 LEU A 38 -3.544 -1.350 -8.298 1.00 0.00 C ATOM 0 H LEU A 38 -7.811 -0.836 -9.424 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.467 -1.626 -11.747 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.972 -0.489 -10.652 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.870 -0.621 -9.152 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.800 -2.951 -8.911 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.641 -3.252 -10.049 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.002 -3.211 -11.194 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.950 -1.787 -11.012 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.767 -2.004 -7.902 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.085 -0.458 -8.724 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.220 -1.061 -7.493 1.00 0.00 H new ATOM 602 N PHE A 39 -6.690 -3.999 -9.483 1.00 0.00 N ATOM 603 CA PHE A 39 -6.615 -5.439 -9.297 1.00 0.00 C ATOM 604 C PHE A 39 -7.980 -6.014 -8.914 1.00 0.00 C ATOM 605 O PHE A 39 -8.118 -6.650 -7.870 1.00 0.00 O ATOM 606 CB PHE A 39 -5.629 -5.691 -8.155 1.00 0.00 C ATOM 607 CG PHE A 39 -4.168 -5.781 -8.602 1.00 0.00 C ATOM 608 CD1 PHE A 39 -3.821 -5.421 -9.867 1.00 0.00 C ATOM 609 CD2 PHE A 39 -3.217 -6.221 -7.735 1.00 0.00 C ATOM 610 CE1 PHE A 39 -2.466 -5.505 -10.282 1.00 0.00 C ATOM 611 CE2 PHE A 39 -1.862 -6.305 -8.150 1.00 0.00 C ATOM 612 CZ PHE A 39 -1.515 -5.944 -9.415 1.00 0.00 C ATOM 0 H PHE A 39 -6.946 -3.473 -8.647 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.296 -5.918 -10.223 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.725 -4.890 -7.422 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.902 -6.618 -7.651 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.576 -5.071 -10.555 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.493 -6.507 -6.731 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.190 -5.220 -11.287 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.107 -6.655 -7.462 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.484 -6.006 -9.731 1.00 0.00 H new ATOM 622 N HIS A 40 -8.953 -5.770 -9.779 1.00 0.00 N ATOM 623 CA HIS A 40 -10.302 -6.256 -9.543 1.00 0.00 C ATOM 624 C HIS A 40 -10.394 -7.730 -9.945 1.00 0.00 C ATOM 625 O HIS A 40 -10.852 -8.563 -9.164 1.00 0.00 O ATOM 626 CB HIS A 40 -11.329 -5.380 -10.264 1.00 0.00 C ATOM 627 CG HIS A 40 -12.005 -6.058 -11.431 1.00 0.00 C ATOM 628 ND1 HIS A 40 -12.622 -7.272 -11.520 1.00 0.00 N flip ATOM 629 CD2 HIS A 40 -12.094 -5.481 -12.685 1.00 0.00 C flip ATOM 630 CE1 HIS A 40 -13.065 -7.426 -12.762 1.00 0.00 C flip ATOM 631 NE2 HIS A 40 -12.738 -6.318 -13.486 1.00 0.00 N flip ATOM 0 H HIS A 40 -8.834 -5.242 -10.644 1.00 0.00 H new ATOM 0 HA HIS A 40 -10.536 -6.189 -8.480 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -12.090 -5.067 -9.549 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.834 -4.476 -10.619 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.705 -4.513 -12.964 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.597 -8.288 -13.137 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.951 -6.161 -14.471 1.00 0.00 H new ATOM 640 N THR A 41 -9.952 -8.007 -11.163 1.00 0.00 N ATOM 641 CA THR A 41 -9.979 -9.365 -11.678 1.00 0.00 C ATOM 642 C THR A 41 -9.155 -10.292 -10.782 1.00 0.00 C ATOM 643 O THR A 41 -9.276 -11.512 -10.868 1.00 0.00 O ATOM 644 CB THR A 41 -9.491 -9.330 -13.128 1.00 0.00 C ATOM 645 OG1 THR A 41 -9.050 -10.662 -13.378 1.00 0.00 O ATOM 646 CG2 THR A 41 -8.231 -8.480 -13.302 1.00 0.00 C ATOM 0 H THR A 41 -9.573 -7.314 -11.808 1.00 0.00 H new ATOM 0 HA THR A 41 -10.990 -9.771 -11.669 1.00 0.00 H new ATOM 0 HB THR A 41 -10.282 -8.939 -13.768 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.718 -10.730 -14.298 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.928 -8.489 -14.349 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.438 -7.455 -12.993 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.429 -8.889 -12.688 1.00 0.00 H new ATOM 654 N ILE A 42 -8.335 -9.675 -9.943 1.00 0.00 N ATOM 655 CA ILE A 42 -7.492 -10.430 -9.032 1.00 0.00 C ATOM 656 C ILE A 42 -8.372 -11.165 -8.018 1.00 0.00 C ATOM 657 O ILE A 42 -9.376 -10.625 -7.556 1.00 0.00 O ATOM 658 CB ILE A 42 -6.446 -9.516 -8.388 1.00 0.00 C ATOM 659 CG1 ILE A 42 -5.690 -8.716 -9.451 1.00 0.00 C ATOM 660 CG2 ILE A 42 -5.500 -10.314 -7.490 1.00 0.00 C ATOM 661 CD1 ILE A 42 -4.731 -9.615 -10.235 1.00 0.00 C ATOM 0 H ILE A 42 -8.237 -8.662 -9.875 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.929 -11.189 -9.576 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.964 -8.798 -7.752 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.400 -8.252 -10.135 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.132 -7.910 -8.976 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.767 -9.641 -7.045 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.072 -10.801 -6.700 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.986 -11.070 -8.084 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.206 -9.022 -10.984 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.007 -10.059 -9.551 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.295 -10.406 -10.729 1.00 0.00 H new ATOM 673 N PRO A 43 -7.953 -12.418 -7.696 1.00 0.00 N ATOM 674 CA PRO A 43 -8.692 -13.232 -6.746 1.00 0.00 C ATOM 675 C PRO A 43 -8.462 -12.749 -5.313 1.00 0.00 C ATOM 676 O PRO A 43 -9.410 -12.408 -4.609 1.00 0.00 O ATOM 677 CB PRO A 43 -8.201 -14.652 -6.981 1.00 0.00 C ATOM 678 CG PRO A 43 -6.880 -14.519 -7.721 1.00 0.00 C ATOM 679 CD PRO A 43 -6.769 -13.089 -8.225 1.00 0.00 C ATOM 0 HA PRO A 43 -9.771 -13.169 -6.887 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.068 -15.181 -6.037 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.921 -15.222 -7.567 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.047 -14.756 -7.060 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.836 -15.221 -8.553 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.854 -12.614 -7.872 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.747 -13.053 -9.314 1.00 0.00 H new ATOM 687 N PHE A 44 -7.195 -12.735 -4.924 1.00 0.00 N ATOM 688 CA PHE A 44 -6.828 -12.299 -3.587 1.00 0.00 C ATOM 689 C PHE A 44 -6.089 -10.960 -3.630 1.00 0.00 C ATOM 690 O PHE A 44 -5.133 -10.750 -2.885 1.00 0.00 O ATOM 691 CB PHE A 44 -5.895 -13.364 -3.010 1.00 0.00 C ATOM 692 CG PHE A 44 -4.954 -13.991 -4.039 1.00 0.00 C ATOM 693 CD1 PHE A 44 -3.896 -13.280 -4.516 1.00 0.00 C ATOM 694 CD2 PHE A 44 -5.173 -15.259 -4.478 1.00 0.00 C ATOM 695 CE1 PHE A 44 -3.022 -13.862 -5.471 1.00 0.00 C ATOM 696 CE2 PHE A 44 -4.298 -15.841 -5.434 1.00 0.00 C ATOM 697 CZ PHE A 44 -3.241 -15.131 -5.911 1.00 0.00 C ATOM 0 H PHE A 44 -6.410 -13.018 -5.511 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.724 -12.170 -2.979 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.300 -12.918 -2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.496 -14.151 -2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.721 -12.273 -4.168 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.012 -15.824 -4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.182 -13.297 -5.849 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.473 -16.848 -5.782 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.576 -15.574 -6.638 1.00 0.00 H new ATOM 707 N GLY A 45 -6.559 -10.090 -4.512 1.00 0.00 N ATOM 708 CA GLY A 45 -5.954 -8.777 -4.663 1.00 0.00 C ATOM 709 C GLY A 45 -6.699 -7.731 -3.830 1.00 0.00 C ATOM 710 O GLY A 45 -6.090 -7.019 -3.034 1.00 0.00 O ATOM 0 H GLY A 45 -7.351 -10.268 -5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.909 -8.816 -4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.965 -8.486 -5.713 1.00 0.00 H new ATOM 714 N THR A 46 -8.005 -7.672 -4.044 1.00 0.00 N ATOM 715 CA THR A 46 -8.839 -6.726 -3.323 1.00 0.00 C ATOM 716 C THR A 46 -8.970 -7.140 -1.856 1.00 0.00 C ATOM 717 O THR A 46 -9.022 -6.289 -0.970 1.00 0.00 O ATOM 718 CB THR A 46 -10.182 -6.630 -4.050 1.00 0.00 C ATOM 719 OG1 THR A 46 -10.763 -7.920 -3.879 1.00 0.00 O ATOM 720 CG2 THR A 46 -10.019 -6.492 -5.565 1.00 0.00 C ATOM 0 H THR A 46 -8.506 -8.264 -4.706 1.00 0.00 H new ATOM 0 HA THR A 46 -8.389 -5.733 -3.308 1.00 0.00 H new ATOM 0 HB THR A 46 -10.742 -5.777 -3.666 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.638 -7.945 -4.319 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.002 -6.428 -6.032 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.451 -5.589 -5.789 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.488 -7.361 -5.954 1.00 0.00 H new ATOM 728 N ARG A 47 -9.021 -8.447 -1.645 1.00 0.00 N ATOM 729 CA ARG A 47 -9.145 -8.984 -0.301 1.00 0.00 C ATOM 730 C ARG A 47 -7.887 -8.674 0.513 1.00 0.00 C ATOM 731 O ARG A 47 -7.972 -8.109 1.602 1.00 0.00 O ATOM 732 CB ARG A 47 -9.364 -10.498 -0.332 1.00 0.00 C ATOM 733 CG ARG A 47 -10.529 -10.866 -1.253 1.00 0.00 C ATOM 734 CD ARG A 47 -11.833 -10.227 -0.771 1.00 0.00 C ATOM 735 NE ARG A 47 -12.826 -11.279 -0.460 1.00 0.00 N ATOM 736 CZ ARG A 47 -14.149 -11.072 -0.411 1.00 0.00 C ATOM 737 NH1 ARG A 47 -14.645 -9.851 -0.652 1.00 0.00 N ATOM 738 NH2 ARG A 47 -14.976 -12.086 -0.121 1.00 0.00 N ATOM 0 H ARG A 47 -8.979 -9.150 -2.383 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.009 -8.512 0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.455 -10.993 -0.674 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.565 -10.861 0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.312 -10.536 -2.269 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.642 -11.950 -1.287 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.645 -9.620 0.114 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.226 -9.559 -1.538 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.482 -12.220 -0.271 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.016 -9.079 -0.873 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.652 -9.693 -0.615 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.598 -13.016 0.063 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.983 -11.928 -0.084 1.00 0.00 H new ATOM 752 N GLU A 48 -6.749 -9.057 -0.047 1.00 0.00 N ATOM 753 CA GLU A 48 -5.475 -8.827 0.613 1.00 0.00 C ATOM 754 C GLU A 48 -5.184 -7.327 0.697 1.00 0.00 C ATOM 755 O GLU A 48 -4.581 -6.862 1.662 1.00 0.00 O ATOM 756 CB GLU A 48 -4.344 -9.565 -0.105 1.00 0.00 C ATOM 757 CG GLU A 48 -3.515 -10.391 0.881 1.00 0.00 C ATOM 758 CD GLU A 48 -4.419 -11.197 1.816 1.00 0.00 C ATOM 759 OE1 GLU A 48 -4.925 -12.244 1.353 1.00 0.00 O ATOM 760 OE2 GLU A 48 -4.584 -10.750 2.971 1.00 0.00 O ATOM 0 H GLU A 48 -6.683 -9.525 -0.951 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.537 -9.223 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.761 -10.218 -0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.701 -8.846 -0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.858 -11.066 0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.876 -9.731 1.467 1.00 0.00 H new ATOM 768 N CYS A 49 -5.627 -6.613 -0.328 1.00 0.00 N ATOM 769 CA CYS A 49 -5.422 -5.176 -0.381 1.00 0.00 C ATOM 770 C CYS A 49 -6.211 -4.534 0.762 1.00 0.00 C ATOM 771 O CYS A 49 -5.689 -3.684 1.481 1.00 0.00 O ATOM 772 CB CYS A 49 -5.818 -4.598 -1.742 1.00 0.00 C ATOM 773 SG CYS A 49 -4.476 -4.577 -2.986 1.00 0.00 S ATOM 0 H CYS A 49 -6.127 -7.003 -1.127 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.362 -4.954 -0.259 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -6.652 -5.177 -2.138 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.177 -3.579 -1.598 1.00 0.00 H new ATOM 778 N ASP A 50 -7.456 -4.967 0.895 1.00 0.00 N ATOM 779 CA ASP A 50 -8.322 -4.446 1.938 1.00 0.00 C ATOM 780 C ASP A 50 -7.755 -4.832 3.306 1.00 0.00 C ATOM 781 O ASP A 50 -8.124 -4.246 4.324 1.00 0.00 O ATOM 782 CB ASP A 50 -9.731 -5.031 1.828 1.00 0.00 C ATOM 783 CG ASP A 50 -10.812 -4.262 2.591 1.00 0.00 C ATOM 784 OD1 ASP A 50 -10.455 -3.225 3.191 1.00 0.00 O ATOM 785 OD2 ASP A 50 -11.972 -4.728 2.554 1.00 0.00 O ATOM 0 H ASP A 50 -7.886 -5.673 0.297 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.372 -3.363 1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.010 -5.072 0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.711 -6.058 2.192 1.00 0.00 H new ATOM 791 N HIS A 51 -6.867 -5.815 3.287 1.00 0.00 N ATOM 792 CA HIS A 51 -6.246 -6.286 4.513 1.00 0.00 C ATOM 793 C HIS A 51 -4.801 -5.787 4.580 1.00 0.00 C ATOM 794 O HIS A 51 -4.056 -6.151 5.489 1.00 0.00 O ATOM 795 CB HIS A 51 -6.352 -7.808 4.626 1.00 0.00 C ATOM 796 CG HIS A 51 -5.678 -8.382 5.849 1.00 0.00 C ATOM 797 ND1 HIS A 51 -6.235 -8.314 7.114 1.00 0.00 N ATOM 798 CD2 HIS A 51 -4.488 -9.036 5.986 1.00 0.00 C ATOM 799 CE1 HIS A 51 -5.409 -8.902 7.967 1.00 0.00 C ATOM 800 NE2 HIS A 51 -4.328 -9.348 7.267 1.00 0.00 N ATOM 0 H HIS A 51 -6.563 -6.298 2.442 1.00 0.00 H new ATOM 0 HA HIS A 51 -6.776 -5.878 5.373 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.405 -8.088 4.639 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.913 -8.259 3.736 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.795 -9.261 5.189 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.565 -9.009 9.030 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -3.527 -9.841 7.662 1.00 0.00 H new ATOM 809 N TYR A 52 -4.448 -4.961 3.607 1.00 0.00 N ATOM 810 CA TYR A 52 -3.106 -4.407 3.544 1.00 0.00 C ATOM 811 C TYR A 52 -3.092 -2.948 4.007 1.00 0.00 C ATOM 812 O TYR A 52 -2.121 -2.494 4.610 1.00 0.00 O ATOM 813 CB TYR A 52 -2.693 -4.467 2.073 1.00 0.00 C ATOM 814 CG TYR A 52 -1.216 -4.152 1.827 1.00 0.00 C ATOM 815 CD1 TYR A 52 -0.252 -5.098 2.112 1.00 0.00 C ATOM 816 CD2 TYR A 52 -0.847 -2.922 1.322 1.00 0.00 C ATOM 817 CE1 TYR A 52 1.138 -4.800 1.882 1.00 0.00 C ATOM 818 CE2 TYR A 52 0.542 -2.625 1.090 1.00 0.00 C ATOM 819 CZ TYR A 52 1.466 -3.579 1.382 1.00 0.00 C ATOM 820 OH TYR A 52 2.779 -3.299 1.165 1.00 0.00 O ATOM 0 H TYR A 52 -5.068 -4.661 2.855 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.430 -4.966 4.191 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.911 -5.462 1.686 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.303 -3.764 1.506 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.540 -6.061 2.507 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.601 -2.181 1.101 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.903 -5.530 2.102 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.843 -1.667 0.693 1.00 0.00 H new ATOM 0 HH TYR A 52 3.214 -4.073 0.750 1.00 0.00 H new ATOM 830 N VAL A 53 -4.181 -2.255 3.706 1.00 0.00 N ATOM 831 CA VAL A 53 -4.306 -0.858 4.082 1.00 0.00 C ATOM 832 C VAL A 53 -4.314 -0.744 5.609 1.00 0.00 C ATOM 833 O VAL A 53 -4.202 0.354 6.153 1.00 0.00 O ATOM 834 CB VAL A 53 -5.550 -0.250 3.432 1.00 0.00 C ATOM 835 CG1 VAL A 53 -5.542 -0.473 1.918 1.00 0.00 C ATOM 836 CG2 VAL A 53 -6.827 -0.810 4.061 1.00 0.00 C ATOM 0 H VAL A 53 -4.984 -2.636 3.206 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.452 -0.287 3.717 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.531 0.825 3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.437 -0.031 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.658 -0.005 1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.525 -1.542 1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.696 -0.361 3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.855 -1.891 3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.840 -0.577 5.126 1.00 0.00 H new ATOM 846 N ASN A 54 -4.446 -1.893 6.255 1.00 0.00 N ATOM 847 CA ASN A 54 -4.469 -1.936 7.707 1.00 0.00 C ATOM 848 C ASN A 54 -3.633 -3.122 8.191 1.00 0.00 C ATOM 849 O ASN A 54 -4.134 -3.988 8.907 1.00 0.00 O ATOM 850 CB ASN A 54 -5.895 -2.119 8.230 1.00 0.00 C ATOM 851 CG ASN A 54 -6.565 -0.765 8.480 1.00 0.00 C ATOM 852 OD1 ASN A 54 -7.250 -0.217 7.633 1.00 0.00 O ATOM 853 ND2 ASN A 54 -6.328 -0.260 9.688 1.00 0.00 N ATOM 0 H ASN A 54 -4.538 -2.801 5.800 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.066 -0.994 8.078 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.480 -2.691 7.510 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.876 -2.696 9.155 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.730 0.639 9.953 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.745 -0.772 10.349 1.00 0.00 H new ATOM 860 N SER A 55 -2.372 -3.124 7.781 1.00 0.00 N ATOM 861 CA SER A 55 -1.462 -4.189 8.164 1.00 0.00 C ATOM 862 C SER A 55 -0.044 -3.857 7.699 1.00 0.00 C ATOM 863 O SER A 55 0.917 -4.044 8.444 1.00 0.00 O ATOM 864 CB SER A 55 -1.910 -5.532 7.583 1.00 0.00 C ATOM 865 OG SER A 55 -1.605 -6.618 8.454 1.00 0.00 O ATOM 0 H SER A 55 -1.960 -2.404 7.187 1.00 0.00 H new ATOM 0 HA SER A 55 -1.471 -4.273 9.251 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.984 -5.507 7.397 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.424 -5.691 6.621 1.00 0.00 H new ATOM 0 HG SER A 55 -1.908 -7.457 8.049 1.00 0.00 H new ATOM 871 N LYS A 56 0.044 -3.371 6.470 1.00 0.00 N ATOM 872 CA LYS A 56 1.329 -3.011 5.897 1.00 0.00 C ATOM 873 C LYS A 56 1.333 -1.518 5.559 1.00 0.00 C ATOM 874 O LYS A 56 2.263 -1.024 4.924 1.00 0.00 O ATOM 875 CB LYS A 56 1.656 -3.912 4.704 1.00 0.00 C ATOM 876 CG LYS A 56 1.996 -5.331 5.165 1.00 0.00 C ATOM 877 CD LYS A 56 0.861 -6.301 4.835 1.00 0.00 C ATOM 878 CE LYS A 56 0.931 -7.549 5.719 1.00 0.00 C ATOM 879 NZ LYS A 56 1.625 -8.647 5.010 1.00 0.00 N ATOM 0 H LYS A 56 -0.755 -3.218 5.855 1.00 0.00 H new ATOM 0 HA LYS A 56 2.127 -3.177 6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.806 -3.941 4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.496 -3.495 4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.915 -5.664 4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.181 -5.334 6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.099 -5.804 4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.919 -6.591 3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.456 -7.317 6.645 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.076 -7.864 5.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.664 -9.486 5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.108 -8.879 4.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.592 -8.349 4.770 1.00 0.00 H new ATOM 893 N VAL A 57 0.281 -0.842 5.998 1.00 0.00 N ATOM 894 CA VAL A 57 0.151 0.583 5.751 1.00 0.00 C ATOM 895 C VAL A 57 0.674 1.357 6.963 1.00 0.00 C ATOM 896 O VAL A 57 1.473 2.281 6.817 1.00 0.00 O ATOM 897 CB VAL A 57 -1.299 0.925 5.404 1.00 0.00 C ATOM 898 CG1 VAL A 57 -1.738 2.217 6.093 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.493 1.017 3.889 1.00 0.00 C ATOM 0 H VAL A 57 -0.489 -1.256 6.523 1.00 0.00 H new ATOM 0 HA VAL A 57 0.754 0.877 4.892 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.931 0.118 5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.773 2.437 5.829 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.656 2.099 7.174 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.099 3.038 5.768 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.532 1.261 3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.845 1.795 3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.241 0.061 3.431 1.00 0.00 H new ATOM 909 N ASP A 58 0.202 0.951 8.132 1.00 0.00 N ATOM 910 CA ASP A 58 0.611 1.594 9.369 1.00 0.00 C ATOM 911 C ASP A 58 2.138 1.689 9.408 1.00 0.00 C ATOM 912 O ASP A 58 2.689 2.725 9.775 1.00 0.00 O ATOM 913 CB ASP A 58 0.156 0.787 10.587 1.00 0.00 C ATOM 914 CG ASP A 58 -0.854 1.496 11.492 1.00 0.00 C ATOM 915 OD1 ASP A 58 -2.061 1.389 11.187 1.00 0.00 O ATOM 916 OD2 ASP A 58 -0.394 2.127 12.468 1.00 0.00 O ATOM 0 H ASP A 58 -0.460 0.184 8.249 1.00 0.00 H new ATOM 0 HA ASP A 58 0.155 2.583 9.402 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.283 -0.149 10.241 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.033 0.527 11.180 1.00 0.00 H new ATOM 922 N PRO A 59 2.794 0.565 9.014 1.00 0.00 N ATOM 923 CA PRO A 59 4.246 0.512 9.001 1.00 0.00 C ATOM 924 C PRO A 59 4.813 1.299 7.818 1.00 0.00 C ATOM 925 O PRO A 59 5.631 2.198 8.001 1.00 0.00 O ATOM 926 CB PRO A 59 4.585 -0.969 8.946 1.00 0.00 C ATOM 927 CG PRO A 59 3.324 -1.668 8.464 1.00 0.00 C ATOM 928 CD PRO A 59 2.173 -0.680 8.573 1.00 0.00 C ATOM 0 HA PRO A 59 4.692 0.977 9.880 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.418 -1.154 8.267 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.885 -1.338 9.927 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.443 -2.003 7.434 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.125 -2.554 9.066 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.668 -0.553 7.615 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.423 -1.023 9.286 1.00 0.00 H new ATOM 936 N ILE A 60 4.354 0.931 6.630 1.00 0.00 N ATOM 937 CA ILE A 60 4.805 1.592 5.416 1.00 0.00 C ATOM 938 C ILE A 60 4.812 3.106 5.638 1.00 0.00 C ATOM 939 O ILE A 60 5.854 3.749 5.520 1.00 0.00 O ATOM 940 CB ILE A 60 3.960 1.149 4.220 1.00 0.00 C ATOM 941 CG1 ILE A 60 4.437 -0.202 3.684 1.00 0.00 C ATOM 942 CG2 ILE A 60 3.944 2.225 3.132 1.00 0.00 C ATOM 943 CD1 ILE A 60 3.546 -0.679 2.534 1.00 0.00 C ATOM 0 H ILE A 60 3.675 0.184 6.482 1.00 0.00 H new ATOM 0 HA ILE A 60 5.828 1.300 5.180 1.00 0.00 H new ATOM 0 HB ILE A 60 2.932 1.017 4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.468 -0.118 3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.428 -0.940 4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.337 1.885 2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.522 3.145 3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.962 2.412 2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.906 -1.641 2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.521 -0.785 2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.576 0.050 1.724 1.00 0.00 H new ATOM 955 N ILE A 61 3.638 3.631 5.955 1.00 0.00 N ATOM 956 CA ILE A 61 3.496 5.057 6.194 1.00 0.00 C ATOM 957 C ILE A 61 4.417 5.471 7.343 1.00 0.00 C ATOM 958 O ILE A 61 4.765 6.644 7.473 1.00 0.00 O ATOM 959 CB ILE A 61 2.027 5.419 6.421 1.00 0.00 C ATOM 960 CG1 ILE A 61 1.136 4.802 5.341 1.00 0.00 C ATOM 961 CG2 ILE A 61 1.844 6.935 6.519 1.00 0.00 C ATOM 962 CD1 ILE A 61 -0.072 5.694 5.051 1.00 0.00 C ATOM 0 H ILE A 61 2.776 3.094 6.052 1.00 0.00 H new ATOM 0 HA ILE A 61 3.807 5.623 5.316 1.00 0.00 H new ATOM 0 HB ILE A 61 1.715 4.995 7.376 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.713 4.657 4.428 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.797 3.818 5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.791 7.165 6.680 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.431 7.319 7.353 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.180 7.403 5.593 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.689 5.232 4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.660 5.817 5.960 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.271 6.669 4.706 1.00 0.00 H new ATOM 974 N HIS A 62 4.785 4.486 8.149 1.00 0.00 N ATOM 975 CA HIS A 62 5.658 4.733 9.284 1.00 0.00 C ATOM 976 C HIS A 62 7.039 5.163 8.784 1.00 0.00 C ATOM 977 O HIS A 62 7.778 5.840 9.497 1.00 0.00 O ATOM 978 CB HIS A 62 5.713 3.513 10.204 1.00 0.00 C ATOM 979 CG HIS A 62 6.992 2.717 10.092 1.00 0.00 C ATOM 980 ND1 HIS A 62 7.810 2.489 9.025 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 7.555 2.048 11.166 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 8.819 1.724 9.424 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 8.663 1.450 10.752 1.00 0.00 N flip ATOM 0 H HIS A 62 4.494 3.515 8.038 1.00 0.00 H new ATOM 0 HA HIS A 62 5.257 5.549 9.885 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.591 3.843 11.236 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.870 2.861 9.976 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.159 2.019 12.170 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.629 1.376 8.801 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.289 0.884 11.325 1.00 0.00 H new ATOM 992 N GLU A 63 7.346 4.750 7.563 1.00 0.00 N ATOM 993 CA GLU A 63 8.625 5.084 6.959 1.00 0.00 C ATOM 994 C GLU A 63 8.506 6.370 6.140 1.00 0.00 C ATOM 995 O GLU A 63 9.353 7.255 6.242 1.00 0.00 O ATOM 996 CB GLU A 63 9.142 3.930 6.098 1.00 0.00 C ATOM 997 CG GLU A 63 10.395 3.305 6.714 1.00 0.00 C ATOM 998 CD GLU A 63 11.260 4.367 7.395 1.00 0.00 C ATOM 999 OE1 GLU A 63 11.207 5.526 6.929 1.00 0.00 O ATOM 1000 OE2 GLU A 63 11.955 3.998 8.366 1.00 0.00 O ATOM 0 H GLU A 63 6.731 4.187 6.975 1.00 0.00 H new ATOM 0 HA GLU A 63 9.349 5.251 7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.366 3.172 5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.368 4.292 5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.107 2.545 7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.973 2.802 5.939 1.00 0.00 H new ATOM 1008 N LEU A 64 7.447 6.431 5.345 1.00 0.00 N ATOM 1009 CA LEU A 64 7.207 7.595 4.508 1.00 0.00 C ATOM 1010 C LEU A 64 7.203 8.852 5.379 1.00 0.00 C ATOM 1011 O LEU A 64 7.812 9.861 5.023 1.00 0.00 O ATOM 1012 CB LEU A 64 5.929 7.410 3.689 1.00 0.00 C ATOM 1013 CG LEU A 64 5.983 6.348 2.589 1.00 0.00 C ATOM 1014 CD1 LEU A 64 4.625 6.199 1.902 1.00 0.00 C ATOM 1015 CD2 LEU A 64 7.101 6.652 1.589 1.00 0.00 C ATOM 0 H LEU A 64 6.746 5.694 5.263 1.00 0.00 H new ATOM 0 HA LEU A 64 8.010 7.714 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.118 7.156 4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.673 8.366 3.231 1.00 0.00 H new ATOM 0 HG LEU A 64 6.216 5.389 3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.692 5.438 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.876 5.903 2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.337 7.150 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.118 5.882 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.923 7.624 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.059 6.667 2.108 1.00 0.00 H new ATOM 1027 N GLU A 65 6.510 8.753 6.504 1.00 0.00 N ATOM 1028 CA GLU A 65 6.420 9.870 7.428 1.00 0.00 C ATOM 1029 C GLU A 65 7.761 10.088 8.130 1.00 0.00 C ATOM 1030 O GLU A 65 8.159 11.226 8.377 1.00 0.00 O ATOM 1031 CB GLU A 65 5.298 9.650 8.445 1.00 0.00 C ATOM 1032 CG GLU A 65 5.703 8.611 9.492 1.00 0.00 C ATOM 1033 CD GLU A 65 6.639 9.221 10.538 1.00 0.00 C ATOM 1034 OE1 GLU A 65 6.348 10.359 10.964 1.00 0.00 O ATOM 1035 OE2 GLU A 65 7.624 8.535 10.887 1.00 0.00 O ATOM 0 H GLU A 65 6.006 7.916 6.796 1.00 0.00 H new ATOM 0 HA GLU A 65 6.180 10.768 6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.058 10.593 8.937 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.395 9.320 7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.812 8.217 9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.196 7.771 9.004 1.00 0.00 H new ATOM 1043 N GLY A 66 8.422 8.981 8.433 1.00 0.00 N ATOM 1044 CA GLY A 66 9.711 9.038 9.101 1.00 0.00 C ATOM 1045 C GLY A 66 10.706 9.882 8.303 1.00 0.00 C ATOM 1046 O GLY A 66 11.458 10.668 8.876 1.00 0.00 O ATOM 0 H GLY A 66 8.089 8.039 8.228 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.589 9.460 10.099 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.104 8.029 9.227 1.00 0.00 H new ATOM 1050 N GLY A 67 10.678 9.690 6.992 1.00 0.00 N ATOM 1051 CA GLY A 67 11.569 10.424 6.109 1.00 0.00 C ATOM 1052 C GLY A 67 11.931 9.590 4.879 1.00 0.00 C ATOM 1053 O GLY A 67 12.374 10.130 3.867 1.00 0.00 O ATOM 0 H GLY A 67 10.052 9.037 6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.092 11.353 5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.476 10.697 6.647 1.00 0.00 H new ATOM 1057 N THR A 68 11.730 8.287 5.007 1.00 0.00 N ATOM 1058 CA THR A 68 12.029 7.372 3.918 1.00 0.00 C ATOM 1059 C THR A 68 11.177 7.706 2.692 1.00 0.00 C ATOM 1060 O THR A 68 10.068 8.221 2.824 1.00 0.00 O ATOM 1061 CB THR A 68 11.826 5.945 4.429 1.00 0.00 C ATOM 1062 OG1 THR A 68 12.902 5.747 5.344 1.00 0.00 O ATOM 1063 CG2 THR A 68 12.064 4.894 3.343 1.00 0.00 C ATOM 0 H THR A 68 11.363 7.842 5.849 1.00 0.00 H new ATOM 0 HA THR A 68 13.064 7.471 3.592 1.00 0.00 H new ATOM 0 HB THR A 68 10.814 5.841 4.820 1.00 0.00 H new ATOM 0 HG1 THR A 68 12.629 6.041 6.238 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.907 3.899 3.759 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.368 5.057 2.520 1.00 0.00 H new ATOM 0 HG23 THR A 68 13.087 4.976 2.975 1.00 0.00 H new ATOM 1071 N ALA A 69 11.727 7.397 1.527 1.00 0.00 N ATOM 1072 CA ALA A 69 11.031 7.658 0.279 1.00 0.00 C ATOM 1073 C ALA A 69 10.142 6.461 -0.064 1.00 0.00 C ATOM 1074 O ALA A 69 10.186 5.435 0.614 1.00 0.00 O ATOM 1075 CB ALA A 69 12.051 7.960 -0.822 1.00 0.00 C ATOM 0 H ALA A 69 12.647 6.968 1.421 1.00 0.00 H new ATOM 0 HA ALA A 69 10.386 8.532 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.528 8.156 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.638 8.835 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.714 7.104 -0.949 1.00 0.00 H new ATOM 1081 N PRO A 70 9.333 6.635 -1.143 1.00 0.00 N ATOM 1082 CA PRO A 70 8.435 5.581 -1.584 1.00 0.00 C ATOM 1083 C PRO A 70 9.205 4.468 -2.297 1.00 0.00 C ATOM 1084 O PRO A 70 8.712 3.346 -2.417 1.00 0.00 O ATOM 1085 CB PRO A 70 7.426 6.275 -2.484 1.00 0.00 C ATOM 1086 CG PRO A 70 8.064 7.595 -2.886 1.00 0.00 C ATOM 1087 CD PRO A 70 9.253 7.836 -1.971 1.00 0.00 C ATOM 0 HA PRO A 70 7.933 5.082 -0.755 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.201 5.667 -3.360 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.484 6.440 -1.960 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.384 7.563 -3.927 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.344 8.409 -2.799 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.169 7.985 -2.543 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.109 8.728 -1.362 1.00 0.00 H new ATOM 1095 N LYS A 71 10.400 4.814 -2.750 1.00 0.00 N ATOM 1096 CA LYS A 71 11.242 3.857 -3.449 1.00 0.00 C ATOM 1097 C LYS A 71 12.179 3.182 -2.444 1.00 0.00 C ATOM 1098 O LYS A 71 13.193 2.603 -2.829 1.00 0.00 O ATOM 1099 CB LYS A 71 11.972 4.533 -4.610 1.00 0.00 C ATOM 1100 CG LYS A 71 13.045 5.496 -4.098 1.00 0.00 C ATOM 1101 CD LYS A 71 13.984 5.921 -5.229 1.00 0.00 C ATOM 1102 CE LYS A 71 15.448 5.803 -4.800 1.00 0.00 C ATOM 1103 NZ LYS A 71 16.154 4.803 -5.632 1.00 0.00 N ATOM 0 H LYS A 71 10.806 5.744 -2.647 1.00 0.00 H new ATOM 0 HA LYS A 71 10.634 3.072 -3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.431 3.776 -5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.256 5.076 -5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.571 6.376 -3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.619 5.018 -3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.807 5.299 -6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.768 6.949 -5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 71 15.939 6.772 -4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.503 5.515 -3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.146 4.736 -5.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.695 3.876 -5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.117 5.094 -6.630 1.00 0.00 H new ATOM 1117 N ASP A 72 11.804 3.278 -1.177 1.00 0.00 N ATOM 1118 CA ASP A 72 12.598 2.683 -0.115 1.00 0.00 C ATOM 1119 C ASP A 72 11.690 1.839 0.783 1.00 0.00 C ATOM 1120 O ASP A 72 11.925 0.645 0.961 1.00 0.00 O ATOM 1121 CB ASP A 72 13.252 3.760 0.752 1.00 0.00 C ATOM 1122 CG ASP A 72 14.691 4.112 0.371 1.00 0.00 C ATOM 1123 OD1 ASP A 72 15.159 3.560 -0.648 1.00 0.00 O ATOM 1124 OD2 ASP A 72 15.291 4.925 1.107 1.00 0.00 O ATOM 0 H ASP A 72 10.961 3.759 -0.862 1.00 0.00 H new ATOM 0 HA ASP A 72 13.373 2.071 -0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.647 4.665 0.699 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.238 3.427 1.790 1.00 0.00 H new ATOM 1130 N VAL A 73 10.673 2.493 1.324 1.00 0.00 N ATOM 1131 CA VAL A 73 9.730 1.818 2.198 1.00 0.00 C ATOM 1132 C VAL A 73 9.460 0.411 1.662 1.00 0.00 C ATOM 1133 O VAL A 73 9.596 -0.571 2.390 1.00 0.00 O ATOM 1134 CB VAL A 73 8.457 2.657 2.341 1.00 0.00 C ATOM 1135 CG1 VAL A 73 7.534 2.073 3.414 1.00 0.00 C ATOM 1136 CG2 VAL A 73 8.794 4.118 2.644 1.00 0.00 C ATOM 0 H VAL A 73 10.482 3.484 1.174 1.00 0.00 H new ATOM 0 HA VAL A 73 10.148 1.710 3.199 1.00 0.00 H new ATOM 0 HB VAL A 73 7.927 2.627 1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.637 2.687 3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.254 1.056 3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.053 2.059 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.872 4.692 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.357 4.176 3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.394 4.529 1.832 1.00 0.00 H new ATOM 1146 N CYS A 74 9.084 0.358 0.392 1.00 0.00 N ATOM 1147 CA CYS A 74 8.796 -0.914 -0.249 1.00 0.00 C ATOM 1148 C CYS A 74 10.122 -1.620 -0.534 1.00 0.00 C ATOM 1149 O CYS A 74 10.490 -1.813 -1.692 1.00 0.00 O ATOM 1150 CB CYS A 74 7.963 -0.729 -1.519 1.00 0.00 C ATOM 1151 SG CYS A 74 6.860 0.732 -1.508 1.00 0.00 S ATOM 0 H CYS A 74 8.972 1.174 -0.209 1.00 0.00 H new ATOM 0 HA CYS A 74 8.193 -1.532 0.416 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.638 -0.651 -2.371 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.358 -1.622 -1.673 1.00 0.00 H new ATOM 1156 N THR A 75 10.804 -1.986 0.541 1.00 0.00 N ATOM 1157 CA THR A 75 12.082 -2.667 0.421 1.00 0.00 C ATOM 1158 C THR A 75 12.786 -2.724 1.778 1.00 0.00 C ATOM 1159 O THR A 75 12.674 -3.715 2.498 1.00 0.00 O ATOM 1160 CB THR A 75 12.899 -1.952 -0.657 1.00 0.00 C ATOM 1161 OG1 THR A 75 12.560 -2.636 -1.861 1.00 0.00 O ATOM 1162 CG2 THR A 75 14.403 -2.189 -0.506 1.00 0.00 C ATOM 0 H THR A 75 10.496 -1.824 1.500 1.00 0.00 H new ATOM 0 HA THR A 75 11.950 -3.705 0.115 1.00 0.00 H new ATOM 0 HB THR A 75 12.694 -0.882 -0.617 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.700 -2.305 -2.194 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.936 -1.660 -1.296 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.734 -1.820 0.465 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.612 -3.256 -0.579 1.00 0.00 H new ATOM 1170 N LYS A 76 13.496 -1.649 2.087 1.00 0.00 N ATOM 1171 CA LYS A 76 14.217 -1.564 3.345 1.00 0.00 C ATOM 1172 C LYS A 76 13.250 -1.826 4.501 1.00 0.00 C ATOM 1173 O LYS A 76 13.676 -2.125 5.616 1.00 0.00 O ATOM 1174 CB LYS A 76 14.955 -0.228 3.450 1.00 0.00 C ATOM 1175 CG LYS A 76 13.979 0.918 3.727 1.00 0.00 C ATOM 1176 CD LYS A 76 14.209 1.510 5.119 1.00 0.00 C ATOM 1177 CE LYS A 76 15.093 2.755 5.046 1.00 0.00 C ATOM 1178 NZ LYS A 76 16.471 2.439 5.486 1.00 0.00 N ATOM 0 H LYS A 76 13.587 -0.829 1.487 1.00 0.00 H new ATOM 0 HA LYS A 76 14.989 -2.332 3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.696 -0.280 4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.496 -0.034 2.524 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.102 1.695 2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.954 0.555 3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.251 1.766 5.572 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.677 0.765 5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.109 3.137 4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.676 3.542 5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.058 3.296 5.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.452 2.096 6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.872 1.704 4.870 1.00 0.00 H new ATOM 1192 N LEU A 77 11.966 -1.703 4.196 1.00 0.00 N ATOM 1193 CA LEU A 77 10.935 -1.921 5.196 1.00 0.00 C ATOM 1194 C LEU A 77 10.611 -3.415 5.269 1.00 0.00 C ATOM 1195 O LEU A 77 9.594 -3.806 5.839 1.00 0.00 O ATOM 1196 CB LEU A 77 9.717 -1.041 4.912 1.00 0.00 C ATOM 1197 CG LEU A 77 8.891 -0.624 6.130 1.00 0.00 C ATOM 1198 CD1 LEU A 77 9.513 -1.158 7.422 1.00 0.00 C ATOM 1199 CD2 LEU A 77 8.700 0.893 6.171 1.00 0.00 C ATOM 0 H LEU A 77 11.617 -1.455 3.270 1.00 0.00 H new ATOM 0 HA LEU A 77 11.291 -1.622 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.056 -0.139 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.064 -1.572 4.220 1.00 0.00 H new ATOM 0 HG LEU A 77 7.901 -1.070 6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.907 -0.848 8.273 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.554 -2.247 7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.522 -0.761 7.531 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.109 1.162 7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.673 1.381 6.226 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.181 1.219 5.270 1.00 0.00 H new ATOM 1211 N ASN A 78 11.495 -4.209 4.684 1.00 0.00 N ATOM 1212 CA ASN A 78 11.316 -5.651 4.676 1.00 0.00 C ATOM 1213 C ASN A 78 10.085 -6.003 3.837 1.00 0.00 C ATOM 1214 O ASN A 78 9.581 -7.123 3.906 1.00 0.00 O ATOM 1215 CB ASN A 78 11.092 -6.186 6.091 1.00 0.00 C ATOM 1216 CG ASN A 78 12.309 -6.975 6.578 1.00 0.00 C ATOM 1217 OD1 ASN A 78 13.450 -6.598 6.366 1.00 0.00 O ATOM 1218 ND2 ASN A 78 12.004 -8.087 7.241 1.00 0.00 N ATOM 0 H ASN A 78 12.338 -3.881 4.212 1.00 0.00 H new ATOM 0 HA ASN A 78 12.217 -6.100 4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.896 -5.356 6.770 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.210 -6.826 6.106 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.747 -8.682 7.607 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.027 -8.344 7.383 1.00 0.00 H new ATOM 1225 N GLU A 79 9.636 -5.024 3.064 1.00 0.00 N ATOM 1226 CA GLU A 79 8.474 -5.217 2.213 1.00 0.00 C ATOM 1227 C GLU A 79 8.885 -5.881 0.898 1.00 0.00 C ATOM 1228 O GLU A 79 8.442 -6.988 0.593 1.00 0.00 O ATOM 1229 CB GLU A 79 7.757 -3.890 1.958 1.00 0.00 C ATOM 1230 CG GLU A 79 7.501 -3.143 3.268 1.00 0.00 C ATOM 1231 CD GLU A 79 6.145 -3.531 3.864 1.00 0.00 C ATOM 1232 OE1 GLU A 79 5.286 -3.981 3.075 1.00 0.00 O ATOM 1233 OE2 GLU A 79 5.999 -3.368 5.095 1.00 0.00 O ATOM 0 H GLU A 79 10.056 -4.096 3.010 1.00 0.00 H new ATOM 0 HA GLU A 79 7.775 -5.877 2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.358 -3.270 1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.810 -4.076 1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.294 -3.369 3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.530 -2.068 3.090 1.00 0.00 H new ATOM 1241 N CYS A 80 9.724 -5.178 0.153 1.00 0.00 N ATOM 1242 CA CYS A 80 10.198 -5.686 -1.123 1.00 0.00 C ATOM 1243 C CYS A 80 11.585 -6.296 -0.912 1.00 0.00 C ATOM 1244 O CYS A 80 12.406 -5.743 -0.182 1.00 0.00 O ATOM 1245 CB CYS A 80 10.212 -4.596 -2.197 1.00 0.00 C ATOM 1246 SG CYS A 80 9.604 -5.127 -3.838 1.00 0.00 S ATOM 0 H CYS A 80 10.088 -4.260 0.408 1.00 0.00 H new ATOM 0 HA CYS A 80 9.515 -6.454 -1.487 1.00 0.00 H new ATOM 0 HB2 CYS A 80 9.604 -3.759 -1.853 1.00 0.00 H new ATOM 0 HB3 CYS A 80 11.231 -4.226 -2.305 1.00 0.00 H new ATOM 1251 N PRO A 81 11.810 -7.458 -1.582 1.00 0.00 N ATOM 1252 CA PRO A 81 10.784 -8.046 -2.426 1.00 0.00 C ATOM 1253 C PRO A 81 9.691 -8.704 -1.582 1.00 0.00 C ATOM 1254 O PRO A 81 8.659 -9.116 -2.110 1.00 0.00 O ATOM 1255 CB PRO A 81 11.524 -9.033 -3.314 1.00 0.00 C ATOM 1256 CG PRO A 81 12.851 -9.301 -2.624 1.00 0.00 C ATOM 1257 CD PRO A 81 13.043 -8.240 -1.553 1.00 0.00 C ATOM 0 HA PRO A 81 10.258 -7.305 -3.028 1.00 0.00 H new ATOM 0 HB2 PRO A 81 10.953 -9.954 -3.434 1.00 0.00 H new ATOM 0 HB3 PRO A 81 11.679 -8.621 -4.311 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.856 -10.297 -2.180 1.00 0.00 H new ATOM 0 HG3 PRO A 81 13.669 -9.269 -3.344 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.204 -8.690 -0.573 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.912 -7.617 -1.764 1.00 0.00 H new TER 1265 PRO A 81