USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 421 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 Single : A 1 GLU N :NH3+ 143:sc= 0.0738 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -89:sc= 1.18 USER MOD Single : A 9 ASN : amide:sc= -1.22 K(o=-1.2,f=-3.4!) USER MOD Single : A 10 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.21) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.581 USER MOD Single : A 25 HIS : no HE2:sc= -7.28! C(o=-7.3!,f=-3.3!) USER MOD Single : A 27 THR OG1 : rot 179:sc= -0.791! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.35! C(o=-1.4!,f=-1.1!) USER MOD Single : A 33 ASN : amide:sc= -1.45 K(o=-1.4,f=-2.8!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.699 K(o=-0.7,f=-0.16) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 0.104 -1.870 21.801 1.00 0.00 N ATOM 2 CA GLU A 1 0.875 -3.090 21.635 1.00 0.00 C ATOM 3 C GLU A 1 1.818 -2.963 20.436 1.00 0.00 C ATOM 4 O GLU A 1 1.589 -2.146 19.546 1.00 0.00 O ATOM 5 CB GLU A 1 -0.045 -4.303 21.482 1.00 0.00 C ATOM 6 CG GLU A 1 -0.157 -5.075 22.798 1.00 0.00 C ATOM 7 CD GLU A 1 -1.490 -4.787 23.491 1.00 0.00 C ATOM 8 OE1 GLU A 1 -2.509 -5.324 23.008 1.00 0.00 O ATOM 9 OE2 GLU A 1 -1.459 -4.035 24.490 1.00 0.00 O ATOM 0 H1 GLU A 1 -0.861 -2.108 22.108 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.557 -1.268 22.518 1.00 0.00 H new ATOM 0 H3 GLU A 1 0.063 -1.359 20.896 1.00 0.00 H new ATOM 0 HA GLU A 1 1.476 -3.242 22.531 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -1.034 -3.976 21.163 1.00 0.00 H new ATOM 0 HB3 GLU A 1 0.340 -4.960 20.702 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -0.067 -6.144 22.605 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.666 -4.799 23.457 1.00 0.00 H new ATOM 16 N GLU A 2 2.858 -3.783 20.453 1.00 0.00 N ATOM 17 CA GLU A 2 3.837 -3.772 19.379 1.00 0.00 C ATOM 18 C GLU A 2 3.386 -4.689 18.241 1.00 0.00 C ATOM 19 O GLU A 2 3.314 -5.906 18.410 1.00 0.00 O ATOM 20 CB GLU A 2 5.220 -4.177 19.893 1.00 0.00 C ATOM 21 CG GLU A 2 5.171 -5.542 20.582 1.00 0.00 C ATOM 22 CD GLU A 2 6.217 -6.491 19.991 1.00 0.00 C ATOM 23 OE1 GLU A 2 6.203 -6.649 18.752 1.00 0.00 O ATOM 24 OE2 GLU A 2 7.005 -7.037 20.794 1.00 0.00 O ATOM 0 H GLU A 2 3.044 -4.459 21.193 1.00 0.00 H new ATOM 0 HA GLU A 2 3.912 -2.755 18.993 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.925 -4.210 19.062 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.586 -3.426 20.592 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.347 -5.421 21.651 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.177 -5.975 20.470 1.00 0.00 H new ATOM 31 N TYR A 3 3.093 -4.071 17.106 1.00 0.00 N ATOM 32 CA TYR A 3 2.651 -4.817 15.940 1.00 0.00 C ATOM 33 C TYR A 3 3.746 -4.867 14.873 1.00 0.00 C ATOM 34 O TYR A 3 4.757 -4.174 14.983 1.00 0.00 O ATOM 35 CB TYR A 3 1.447 -4.054 15.383 1.00 0.00 C ATOM 36 CG TYR A 3 0.295 -4.953 14.931 1.00 0.00 C ATOM 37 CD1 TYR A 3 -0.524 -5.550 15.868 1.00 0.00 C ATOM 38 CD2 TYR A 3 0.075 -5.168 13.586 1.00 0.00 C ATOM 39 CE1 TYR A 3 -1.608 -6.397 15.443 1.00 0.00 C ATOM 40 CE2 TYR A 3 -1.010 -6.015 13.160 1.00 0.00 C ATOM 41 CZ TYR A 3 -1.797 -6.587 14.109 1.00 0.00 C ATOM 42 OH TYR A 3 -2.821 -7.387 13.707 1.00 0.00 O ATOM 0 H TYR A 3 3.153 -3.062 16.969 1.00 0.00 H new ATOM 0 HA TYR A 3 2.406 -5.844 16.212 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.080 -3.367 16.146 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.774 -3.447 14.538 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -0.352 -5.382 16.921 1.00 0.00 H new ATOM 0 HD2 TYR A 3 0.716 -4.701 12.853 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.256 -6.870 16.166 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.194 -6.191 12.110 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.837 -7.431 12.728 1.00 0.00 H new ATOM 52 N VAL A 4 3.508 -5.692 13.864 1.00 0.00 N ATOM 53 CA VAL A 4 4.462 -5.841 12.778 1.00 0.00 C ATOM 54 C VAL A 4 3.853 -6.726 11.689 1.00 0.00 C ATOM 55 O VAL A 4 4.561 -7.495 11.041 1.00 0.00 O ATOM 56 CB VAL A 4 5.788 -6.382 13.317 1.00 0.00 C ATOM 57 CG1 VAL A 4 5.667 -7.862 13.685 1.00 0.00 C ATOM 58 CG2 VAL A 4 6.920 -6.158 12.312 1.00 0.00 C ATOM 0 H VAL A 4 2.668 -6.264 13.776 1.00 0.00 H new ATOM 0 HA VAL A 4 4.681 -4.874 12.326 1.00 0.00 H new ATOM 0 HB VAL A 4 6.031 -5.830 14.225 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.623 -8.222 14.065 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.902 -7.985 14.452 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.390 -8.435 12.800 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.851 -6.551 12.719 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.686 -6.672 11.380 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.030 -5.091 12.120 1.00 0.00 H new ATOM 68 N GLY A 5 2.546 -6.588 11.520 1.00 0.00 N ATOM 69 CA GLY A 5 1.834 -7.366 10.520 1.00 0.00 C ATOM 70 C GLY A 5 1.080 -6.453 9.551 1.00 0.00 C ATOM 71 O GLY A 5 0.164 -5.737 9.952 1.00 0.00 O ATOM 0 H GLY A 5 1.961 -5.949 12.059 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.539 -7.987 9.967 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.132 -8.041 11.011 1.00 0.00 H new ATOM 75 N LEU A 6 1.494 -6.509 8.293 1.00 0.00 N ATOM 76 CA LEU A 6 0.869 -5.696 7.263 1.00 0.00 C ATOM 77 C LEU A 6 0.504 -4.331 7.849 1.00 0.00 C ATOM 78 O LEU A 6 -0.672 -3.976 7.920 1.00 0.00 O ATOM 79 CB LEU A 6 -0.318 -6.437 6.643 1.00 0.00 C ATOM 80 CG LEU A 6 -1.506 -6.697 7.572 1.00 0.00 C ATOM 81 CD1 LEU A 6 -2.822 -6.296 6.904 1.00 0.00 C ATOM 82 CD2 LEU A 6 -1.523 -8.152 8.045 1.00 0.00 C ATOM 0 H LEU A 6 2.254 -7.104 7.964 1.00 0.00 H new ATOM 0 HA LEU A 6 1.566 -5.516 6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.671 -5.864 5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.036 -7.395 6.262 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.391 -6.072 8.457 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.650 -6.491 7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.797 -5.234 6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.959 -6.876 5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.377 -8.310 8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.602 -8.814 7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.602 -8.369 8.586 1.00 0.00 H new ATOM 94 N SER A 7 1.534 -3.601 8.253 1.00 0.00 N ATOM 95 CA SER A 7 1.336 -2.283 8.830 1.00 0.00 C ATOM 96 C SER A 7 2.689 -1.614 9.082 1.00 0.00 C ATOM 97 O SER A 7 3.522 -2.146 9.813 1.00 0.00 O ATOM 98 CB SER A 7 0.534 -2.365 10.131 1.00 0.00 C ATOM 99 OG SER A 7 0.984 -3.426 10.969 1.00 0.00 O ATOM 0 H SER A 7 2.508 -3.898 8.192 1.00 0.00 H new ATOM 0 HA SER A 7 0.766 -1.682 8.121 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.616 -1.420 10.667 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.521 -2.509 9.898 1.00 0.00 H new ATOM 0 HG SER A 7 0.497 -4.247 10.748 1.00 0.00 H new ATOM 105 N ALA A 8 2.865 -0.456 8.462 1.00 0.00 N ATOM 106 CA ALA A 8 4.102 0.291 8.609 1.00 0.00 C ATOM 107 C ALA A 8 5.257 -0.520 8.018 1.00 0.00 C ATOM 108 O ALA A 8 5.635 -0.318 6.865 1.00 0.00 O ATOM 109 CB ALA A 8 4.323 0.628 10.085 1.00 0.00 C ATOM 0 H ALA A 8 2.171 -0.017 7.857 1.00 0.00 H new ATOM 0 HA ALA A 8 4.047 1.233 8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.251 1.189 10.195 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.490 1.230 10.449 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.385 -0.294 10.663 1.00 0.00 H new ATOM 115 N ASN A 9 5.784 -1.420 8.834 1.00 0.00 N ATOM 116 CA ASN A 9 6.888 -2.263 8.406 1.00 0.00 C ATOM 117 C ASN A 9 6.590 -2.817 7.011 1.00 0.00 C ATOM 118 O ASN A 9 7.508 -3.111 6.247 1.00 0.00 O ATOM 119 CB ASN A 9 7.077 -3.448 9.355 1.00 0.00 C ATOM 120 CG ASN A 9 7.083 -2.987 10.814 1.00 0.00 C ATOM 121 OD1 ASN A 9 6.071 -2.600 11.374 1.00 0.00 O ATOM 122 ND2 ASN A 9 8.277 -3.049 11.395 1.00 0.00 N ATOM 0 H ASN A 9 5.467 -1.584 9.790 1.00 0.00 H new ATOM 0 HA ASN A 9 7.794 -1.656 8.403 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.277 -4.172 9.202 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.014 -3.956 9.126 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.386 -2.762 12.368 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.084 -3.383 10.868 1.00 0.00 H new ATOM 129 N GLN A 10 5.303 -2.943 6.722 1.00 0.00 N ATOM 130 CA GLN A 10 4.873 -3.456 5.433 1.00 0.00 C ATOM 131 C GLN A 10 4.736 -2.313 4.425 1.00 0.00 C ATOM 132 O GLN A 10 5.003 -2.492 3.238 1.00 0.00 O ATOM 133 CB GLN A 10 3.561 -4.233 5.562 1.00 0.00 C ATOM 134 CG GLN A 10 3.543 -5.440 4.623 1.00 0.00 C ATOM 135 CD GLN A 10 3.738 -6.743 5.401 1.00 0.00 C ATOM 136 OE1 GLN A 10 4.756 -6.972 6.033 1.00 0.00 O ATOM 137 NE2 GLN A 10 2.709 -7.581 5.319 1.00 0.00 N ATOM 0 H GLN A 10 4.544 -2.699 7.359 1.00 0.00 H new ATOM 0 HA GLN A 10 5.632 -4.147 5.068 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.432 -4.567 6.592 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.722 -3.577 5.332 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.596 -5.472 4.084 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.331 -5.336 3.877 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.886 -7.327 4.772 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.742 -8.478 5.803 1.00 0.00 H new ATOM 146 N CYS A 11 4.320 -1.163 4.935 1.00 0.00 N ATOM 147 CA CYS A 11 4.145 0.009 4.094 1.00 0.00 C ATOM 148 C CYS A 11 5.158 1.069 4.532 1.00 0.00 C ATOM 149 O CYS A 11 4.809 2.239 4.687 1.00 0.00 O ATOM 150 CB CYS A 11 2.709 0.534 4.148 1.00 0.00 C ATOM 151 SG CYS A 11 1.433 -0.748 4.423 1.00 0.00 S ATOM 0 H CYS A 11 4.099 -1.018 5.920 1.00 0.00 H new ATOM 0 HA CYS A 11 4.326 -0.256 3.052 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.638 1.274 4.945 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.490 1.050 3.213 1.00 0.00 H new ATOM 156 N ALA A 12 6.391 0.623 4.718 1.00 0.00 N ATOM 157 CA ALA A 12 7.456 1.519 5.134 1.00 0.00 C ATOM 158 C ALA A 12 8.501 1.615 4.021 1.00 0.00 C ATOM 159 O ALA A 12 9.684 1.367 4.251 1.00 0.00 O ATOM 160 CB ALA A 12 8.054 1.025 6.453 1.00 0.00 C ATOM 0 H ALA A 12 6.677 -0.348 4.588 1.00 0.00 H new ATOM 0 HA ALA A 12 7.066 2.522 5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.853 1.698 6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.278 1.003 7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.457 0.021 6.317 1.00 0.00 H new ATOM 166 N VAL A 13 8.027 1.974 2.837 1.00 0.00 N ATOM 167 CA VAL A 13 8.905 2.105 1.687 1.00 0.00 C ATOM 168 C VAL A 13 9.367 3.559 1.566 1.00 0.00 C ATOM 169 O VAL A 13 8.657 4.475 1.977 1.00 0.00 O ATOM 170 CB VAL A 13 8.200 1.595 0.429 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.166 0.815 -0.464 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.980 0.746 0.790 1.00 0.00 C ATOM 0 H VAL A 13 7.045 2.178 2.649 1.00 0.00 H new ATOM 0 HA VAL A 13 9.796 1.490 1.815 1.00 0.00 H new ATOM 0 HB VAL A 13 7.851 2.461 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.639 0.464 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.989 1.464 -0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.560 -0.040 0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.497 0.396 -0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.296 -0.111 1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.276 1.347 1.365 1.00 0.00 H new ATOM 182 N PRO A 14 10.585 3.729 0.986 1.00 0.00 N ATOM 183 CA PRO A 14 11.150 5.055 0.806 1.00 0.00 C ATOM 184 C PRO A 14 10.461 5.793 -0.343 1.00 0.00 C ATOM 185 O PRO A 14 10.834 6.917 -0.676 1.00 0.00 O ATOM 186 CB PRO A 14 12.631 4.822 0.560 1.00 0.00 C ATOM 187 CG PRO A 14 12.761 3.364 0.149 1.00 0.00 C ATOM 188 CD PRO A 14 11.454 2.666 0.488 1.00 0.00 C ATOM 0 HA PRO A 14 11.001 5.697 1.674 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.006 5.483 -0.221 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.213 5.028 1.458 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.970 3.285 -0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.593 2.892 0.673 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.025 2.182 -0.389 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.602 1.891 1.240 1.00 0.00 H new ATOM 196 N ALA A 15 9.468 5.131 -0.919 1.00 0.00 N ATOM 197 CA ALA A 15 8.724 5.710 -2.025 1.00 0.00 C ATOM 198 C ALA A 15 9.452 5.409 -3.336 1.00 0.00 C ATOM 199 O ALA A 15 8.828 5.336 -4.394 1.00 0.00 O ATOM 200 CB ALA A 15 8.544 7.211 -1.789 1.00 0.00 C ATOM 0 H ALA A 15 9.161 4.199 -0.640 1.00 0.00 H new ATOM 0 HA ALA A 15 7.729 5.269 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.986 7.645 -2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.996 7.370 -0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.522 7.688 -1.720 1.00 0.00 H new ATOM 206 N LYS A 16 10.762 5.242 -3.225 1.00 0.00 N ATOM 207 CA LYS A 16 11.581 4.951 -4.389 1.00 0.00 C ATOM 208 C LYS A 16 11.627 3.438 -4.609 1.00 0.00 C ATOM 209 O LYS A 16 12.344 2.956 -5.485 1.00 0.00 O ATOM 210 CB LYS A 16 12.962 5.594 -4.247 1.00 0.00 C ATOM 211 CG LYS A 16 13.736 4.978 -3.079 1.00 0.00 C ATOM 212 CD LYS A 16 14.598 3.806 -3.551 1.00 0.00 C ATOM 213 CE LYS A 16 16.070 4.214 -3.651 1.00 0.00 C ATOM 214 NZ LYS A 16 16.924 3.024 -3.862 1.00 0.00 N ATOM 0 H LYS A 16 11.276 5.303 -2.346 1.00 0.00 H new ATOM 0 HA LYS A 16 11.141 5.391 -5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.525 5.462 -5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.853 6.667 -4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.368 5.736 -2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.038 4.636 -2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.494 2.971 -2.858 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.246 3.459 -4.523 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.204 4.916 -4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.373 4.730 -2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.919 3.318 -3.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.809 2.368 -3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.645 2.548 -4.744 1.00 0.00 H new ATOM 228 N ASP A 17 10.852 2.730 -3.800 1.00 0.00 N ATOM 229 CA ASP A 17 10.795 1.282 -3.896 1.00 0.00 C ATOM 230 C ASP A 17 9.333 0.837 -3.980 1.00 0.00 C ATOM 231 O ASP A 17 9.014 -0.316 -3.694 1.00 0.00 O ATOM 232 CB ASP A 17 11.419 0.623 -2.664 1.00 0.00 C ATOM 233 CG ASP A 17 12.581 -0.328 -2.958 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.441 -1.116 -3.918 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.583 -0.245 -2.215 1.00 0.00 O ATOM 0 H ASP A 17 10.258 3.133 -3.075 1.00 0.00 H new ATOM 0 HA ASP A 17 11.349 0.982 -4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.771 1.405 -1.991 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.643 0.071 -2.133 1.00 0.00 H new ATOM 240 N ARG A 18 8.485 1.775 -4.373 1.00 0.00 N ATOM 241 CA ARG A 18 7.064 1.495 -4.498 1.00 0.00 C ATOM 242 C ARG A 18 6.792 0.691 -5.771 1.00 0.00 C ATOM 243 O ARG A 18 7.337 0.996 -6.831 1.00 0.00 O ATOM 244 CB ARG A 18 6.249 2.789 -4.536 1.00 0.00 C ATOM 245 CG ARG A 18 6.764 3.792 -3.502 1.00 0.00 C ATOM 246 CD ARG A 18 6.097 3.570 -2.143 1.00 0.00 C ATOM 247 NE ARG A 18 5.683 4.868 -1.565 1.00 0.00 N ATOM 248 CZ ARG A 18 5.607 5.114 -0.250 1.00 0.00 C ATOM 249 NH1 ARG A 18 5.916 4.153 0.631 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.223 6.322 0.185 1.00 0.00 N ATOM 0 H ARG A 18 8.754 2.730 -4.609 1.00 0.00 H new ATOM 0 HA ARG A 18 6.762 0.915 -3.626 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.303 3.228 -5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.199 2.568 -4.342 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.845 3.693 -3.401 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.568 4.807 -3.846 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.230 2.920 -2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.788 3.065 -1.468 1.00 0.00 H new ATOM 0 HE ARG A 18 5.440 5.622 -2.208 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.209 3.234 0.301 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.858 4.341 1.632 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.988 7.054 -0.485 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.165 6.509 1.186 1.00 0.00 H new ATOM 264 N VAL A 19 5.949 -0.321 -5.625 1.00 0.00 N ATOM 265 CA VAL A 19 5.598 -1.171 -6.750 1.00 0.00 C ATOM 266 C VAL A 19 4.323 -0.638 -7.408 1.00 0.00 C ATOM 267 O VAL A 19 3.896 -1.146 -8.444 1.00 0.00 O ATOM 268 CB VAL A 19 5.471 -2.624 -6.289 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.576 -3.587 -7.473 1.00 0.00 C ATOM 270 CG2 VAL A 19 6.515 -2.953 -5.220 1.00 0.00 C ATOM 0 H VAL A 19 5.499 -0.571 -4.745 1.00 0.00 H new ATOM 0 HA VAL A 19 6.385 -1.152 -7.504 1.00 0.00 H new ATOM 0 HB VAL A 19 4.484 -2.749 -5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.482 -4.613 -7.117 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.778 -3.376 -8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.542 -3.459 -7.961 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.403 -3.992 -4.910 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.514 -2.802 -5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.373 -2.300 -4.359 1.00 0.00 H new ATOM 280 N ASP A 20 3.751 0.378 -6.779 1.00 0.00 N ATOM 281 CA ASP A 20 2.533 0.984 -7.290 1.00 0.00 C ATOM 282 C ASP A 20 1.485 -0.105 -7.522 1.00 0.00 C ATOM 283 O ASP A 20 1.555 -0.839 -8.507 1.00 0.00 O ATOM 284 CB ASP A 20 2.787 1.689 -8.624 1.00 0.00 C ATOM 285 CG ASP A 20 1.529 2.021 -9.429 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.513 2.356 -8.783 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.612 1.932 -10.673 1.00 0.00 O ATOM 0 H ASP A 20 4.108 0.797 -5.920 1.00 0.00 H new ATOM 0 HA ASP A 20 2.186 1.713 -6.558 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.332 2.613 -8.431 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.435 1.059 -9.234 1.00 0.00 H new ATOM 292 N CYS A 21 0.537 -0.177 -6.599 1.00 0.00 N ATOM 293 CA CYS A 21 -0.525 -1.164 -6.691 1.00 0.00 C ATOM 294 C CYS A 21 -1.431 -0.787 -7.865 1.00 0.00 C ATOM 295 O CYS A 21 -2.285 -1.573 -8.272 1.00 0.00 O ATOM 296 CB CYS A 21 -1.306 -1.279 -5.381 1.00 0.00 C ATOM 297 SG CYS A 21 -1.574 -2.991 -4.795 1.00 0.00 S ATOM 0 H CYS A 21 0.482 0.433 -5.783 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.094 -2.150 -6.868 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.775 -0.724 -4.608 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.276 -0.798 -5.509 1.00 0.00 H new ATOM 302 N GLY A 22 -1.214 0.416 -8.376 1.00 0.00 N ATOM 303 CA GLY A 22 -2.001 0.908 -9.494 1.00 0.00 C ATOM 304 C GLY A 22 -3.499 0.796 -9.202 1.00 0.00 C ATOM 305 O GLY A 22 -4.167 -0.105 -9.707 1.00 0.00 O ATOM 0 H GLY A 22 -0.504 1.065 -8.036 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.743 1.948 -9.695 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.758 0.340 -10.392 1.00 0.00 H new ATOM 309 N TYR A 23 -3.982 1.724 -8.389 1.00 0.00 N ATOM 310 CA TYR A 23 -5.388 1.741 -8.025 1.00 0.00 C ATOM 311 C TYR A 23 -5.907 3.175 -7.908 1.00 0.00 C ATOM 312 O TYR A 23 -5.174 4.073 -7.496 1.00 0.00 O ATOM 313 CB TYR A 23 -5.476 1.066 -6.654 1.00 0.00 C ATOM 314 CG TYR A 23 -6.743 0.232 -6.451 1.00 0.00 C ATOM 315 CD1 TYR A 23 -7.165 -0.633 -7.440 1.00 0.00 C ATOM 316 CD2 TYR A 23 -7.464 0.346 -5.280 1.00 0.00 C ATOM 317 CE1 TYR A 23 -8.357 -1.418 -7.249 1.00 0.00 C ATOM 318 CE2 TYR A 23 -8.656 -0.439 -5.089 1.00 0.00 C ATOM 319 CZ TYR A 23 -9.044 -1.282 -6.083 1.00 0.00 C ATOM 320 OH TYR A 23 -10.169 -2.024 -5.903 1.00 0.00 O ATOM 0 H TYR A 23 -3.424 2.469 -7.972 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.987 1.233 -8.781 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.605 0.424 -6.520 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.430 1.832 -5.880 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.601 -0.721 -8.357 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.134 1.024 -4.507 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.698 -2.099 -8.014 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.229 -0.360 -4.177 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.555 -1.825 -5.025 1.00 0.00 H new ATOM 330 N PRO A 24 -7.201 3.351 -8.288 1.00 0.00 N ATOM 331 CA PRO A 24 -7.827 4.661 -8.230 1.00 0.00 C ATOM 332 C PRO A 24 -8.162 5.046 -6.787 1.00 0.00 C ATOM 333 O PRO A 24 -7.441 5.824 -6.165 1.00 0.00 O ATOM 334 CB PRO A 24 -9.057 4.549 -9.115 1.00 0.00 C ATOM 335 CG PRO A 24 -9.330 3.061 -9.263 1.00 0.00 C ATOM 336 CD PRO A 24 -8.099 2.311 -8.780 1.00 0.00 C ATOM 0 HA PRO A 24 -7.170 5.456 -8.582 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.909 5.060 -8.666 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.883 5.013 -10.086 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.205 2.774 -8.680 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.544 2.814 -10.303 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.352 1.601 -7.993 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.640 1.741 -9.588 1.00 0.00 H new ATOM 344 N HIS A 25 -9.256 4.481 -6.297 1.00 0.00 N ATOM 345 CA HIS A 25 -9.695 4.755 -4.939 1.00 0.00 C ATOM 346 C HIS A 25 -8.681 4.183 -3.947 1.00 0.00 C ATOM 347 O HIS A 25 -8.720 2.996 -3.628 1.00 0.00 O ATOM 348 CB HIS A 25 -11.112 4.226 -4.710 1.00 0.00 C ATOM 349 CG HIS A 25 -11.169 2.950 -3.905 1.00 0.00 C ATOM 350 ND1 HIS A 25 -11.731 2.885 -2.642 1.00 0.00 N ATOM 351 CD2 HIS A 25 -10.728 1.692 -4.195 1.00 0.00 C ATOM 352 CE1 HIS A 25 -11.628 1.639 -2.202 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.005 0.902 -3.166 1.00 0.00 N ATOM 0 H HIS A 25 -9.851 3.835 -6.816 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.741 5.832 -4.778 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.696 4.992 -4.200 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.585 4.055 -5.677 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -12.153 3.664 -2.136 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.236 1.390 -5.108 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.976 1.272 -1.248 1.00 0.00 H new ATOM 362 N VAL A 26 -7.796 5.055 -3.485 1.00 0.00 N ATOM 363 CA VAL A 26 -6.773 4.652 -2.535 1.00 0.00 C ATOM 364 C VAL A 26 -6.832 5.567 -1.311 1.00 0.00 C ATOM 365 O VAL A 26 -6.732 6.787 -1.437 1.00 0.00 O ATOM 366 CB VAL A 26 -5.402 4.648 -3.213 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.301 3.516 -4.239 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.106 6.002 -3.861 1.00 0.00 C ATOM 0 H VAL A 26 -7.767 6.039 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.952 3.634 -2.189 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.649 4.473 -2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.317 3.535 -4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.447 2.558 -3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.068 3.647 -5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.125 5.972 -4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.866 6.220 -4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.116 6.780 -3.098 1.00 0.00 H new ATOM 378 N THR A 27 -6.993 4.944 -0.153 1.00 0.00 N ATOM 379 CA THR A 27 -7.065 5.687 1.094 1.00 0.00 C ATOM 380 C THR A 27 -6.268 4.974 2.187 1.00 0.00 C ATOM 381 O THR A 27 -5.771 3.868 1.978 1.00 0.00 O ATOM 382 CB THR A 27 -8.542 5.877 1.445 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.847 4.763 2.279 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.460 5.699 0.234 1.00 0.00 C ATOM 0 H THR A 27 -7.076 3.932 -0.052 1.00 0.00 H new ATOM 0 HA THR A 27 -6.609 6.672 0.994 1.00 0.00 H new ATOM 0 HB THR A 27 -8.689 6.871 1.868 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.782 4.817 2.567 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.496 5.844 0.539 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.200 6.431 -0.530 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.338 4.694 -0.170 1.00 0.00 H new ATOM 392 N PRO A 28 -6.167 5.653 3.361 1.00 0.00 N ATOM 393 CA PRO A 28 -5.438 5.096 4.488 1.00 0.00 C ATOM 394 C PRO A 28 -6.240 3.981 5.162 1.00 0.00 C ATOM 395 O PRO A 28 -6.250 3.872 6.388 1.00 0.00 O ATOM 396 CB PRO A 28 -5.174 6.277 5.408 1.00 0.00 C ATOM 397 CG PRO A 28 -6.160 7.357 4.994 1.00 0.00 C ATOM 398 CD PRO A 28 -6.742 6.964 3.646 1.00 0.00 C ATOM 0 HA PRO A 28 -4.502 4.622 4.191 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.316 5.998 6.452 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.147 6.627 5.309 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.951 7.457 5.737 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.661 8.324 4.927 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.830 6.919 3.683 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.479 7.688 2.875 1.00 0.00 H new ATOM 406 N LYS A 29 -6.893 3.181 4.333 1.00 0.00 N ATOM 407 CA LYS A 29 -7.696 2.078 4.833 1.00 0.00 C ATOM 408 C LYS A 29 -8.287 1.306 3.652 1.00 0.00 C ATOM 409 O LYS A 29 -8.226 0.078 3.615 1.00 0.00 O ATOM 410 CB LYS A 29 -8.746 2.585 5.824 1.00 0.00 C ATOM 411 CG LYS A 29 -9.130 1.493 6.824 1.00 0.00 C ATOM 412 CD LYS A 29 -10.180 0.552 6.231 1.00 0.00 C ATOM 413 CE LYS A 29 -11.262 0.219 7.261 1.00 0.00 C ATOM 414 NZ LYS A 29 -12.067 -0.939 6.811 1.00 0.00 N ATOM 0 H LYS A 29 -6.883 3.274 3.317 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.075 1.378 5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.358 3.452 6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.633 2.915 5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.244 0.924 7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.518 1.949 7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.636 1.015 5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.701 -0.366 5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.800 -0.003 8.223 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.909 1.083 7.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.796 -1.152 7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.522 -0.714 5.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.448 -1.766 6.692 1.00 0.00 H new ATOM 428 N GLU A 30 -8.847 2.057 2.716 1.00 0.00 N ATOM 429 CA GLU A 30 -9.449 1.459 1.536 1.00 0.00 C ATOM 430 C GLU A 30 -8.368 0.856 0.637 1.00 0.00 C ATOM 431 O GLU A 30 -8.548 -0.228 0.085 1.00 0.00 O ATOM 432 CB GLU A 30 -10.291 2.482 0.772 1.00 0.00 C ATOM 433 CG GLU A 30 -11.785 2.202 0.946 1.00 0.00 C ATOM 434 CD GLU A 30 -12.250 2.565 2.358 1.00 0.00 C ATOM 435 OE1 GLU A 30 -11.377 2.595 3.252 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.467 2.804 2.511 1.00 0.00 O ATOM 0 H GLU A 30 -8.897 3.075 2.750 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.115 0.658 1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.062 3.486 1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.033 2.453 -0.287 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.354 2.775 0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.986 1.148 0.753 1.00 0.00 H new ATOM 443 N CYS A 31 -7.268 1.586 0.516 1.00 0.00 N ATOM 444 CA CYS A 31 -6.159 1.137 -0.307 1.00 0.00 C ATOM 445 C CYS A 31 -5.531 -0.089 0.359 1.00 0.00 C ATOM 446 O CYS A 31 -4.964 -0.946 -0.317 1.00 0.00 O ATOM 447 CB CYS A 31 -5.134 2.251 -0.532 1.00 0.00 C ATOM 448 SG CYS A 31 -3.430 1.671 -0.863 1.00 0.00 S ATOM 0 H CYS A 31 -7.122 2.485 0.975 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.525 0.864 -1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.463 2.864 -1.371 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.119 2.895 0.347 1.00 0.00 H new ATOM 453 N ASN A 32 -5.654 -0.134 1.678 1.00 0.00 N ATOM 454 CA ASN A 32 -5.106 -1.241 2.443 1.00 0.00 C ATOM 455 C ASN A 32 -6.204 -2.278 2.690 1.00 0.00 C ATOM 456 O ASN A 32 -5.972 -3.287 3.353 1.00 0.00 O ATOM 457 CB ASN A 32 -4.589 -0.768 3.803 1.00 0.00 C ATOM 458 CG ASN A 32 -4.199 -1.955 4.685 1.00 0.00 C ATOM 459 OD1 ASN A 32 -3.593 -2.918 4.243 1.00 0.00 O ATOM 460 ND2 ASN A 32 -4.579 -1.834 5.954 1.00 0.00 N ATOM 0 H ASN A 32 -6.125 0.578 2.236 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.282 -1.669 1.873 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.726 -0.117 3.662 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.357 -0.176 4.302 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.366 -2.574 6.623 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.083 -1.001 6.258 1.00 0.00 H new ATOM 467 N ASN A 33 -7.377 -1.992 2.143 1.00 0.00 N ATOM 468 CA ASN A 33 -8.511 -2.887 2.296 1.00 0.00 C ATOM 469 C ASN A 33 -8.580 -3.826 1.090 1.00 0.00 C ATOM 470 O ASN A 33 -8.883 -5.010 1.236 1.00 0.00 O ATOM 471 CB ASN A 33 -9.825 -2.106 2.363 1.00 0.00 C ATOM 472 CG ASN A 33 -11.011 -3.045 2.589 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.918 -4.252 2.439 1.00 0.00 O ATOM 474 ND2 ASN A 33 -12.129 -2.425 2.957 1.00 0.00 N ATOM 0 H ASN A 33 -7.566 -1.154 1.594 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.377 -3.446 3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.777 -1.375 3.170 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.969 -1.549 1.437 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.977 -2.964 3.132 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.138 -1.411 3.064 1.00 0.00 H new ATOM 481 N ARG A 34 -8.295 -3.263 -0.075 1.00 0.00 N ATOM 482 CA ARG A 34 -8.321 -4.035 -1.306 1.00 0.00 C ATOM 483 C ARG A 34 -7.253 -5.129 -1.269 1.00 0.00 C ATOM 484 O ARG A 34 -7.373 -6.143 -1.956 1.00 0.00 O ATOM 485 CB ARG A 34 -8.082 -3.139 -2.523 1.00 0.00 C ATOM 486 CG ARG A 34 -8.799 -3.689 -3.758 1.00 0.00 C ATOM 487 CD ARG A 34 -8.235 -5.055 -4.157 1.00 0.00 C ATOM 488 NE ARG A 34 -8.370 -5.251 -5.617 1.00 0.00 N ATOM 489 CZ ARG A 34 -7.610 -6.088 -6.336 1.00 0.00 C ATOM 490 NH1 ARG A 34 -6.655 -6.810 -5.735 1.00 0.00 N ATOM 491 NH2 ARG A 34 -7.804 -6.202 -7.657 1.00 0.00 N ATOM 0 H ARG A 34 -8.045 -2.281 -0.193 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.308 -4.489 -1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.436 -2.130 -2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.013 -3.066 -2.721 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.866 -3.778 -3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.690 -2.990 -4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.186 -5.123 -3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.764 -5.846 -3.625 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.087 -4.715 -6.107 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.506 -6.723 -4.730 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.077 -7.447 -6.283 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.530 -5.652 -8.115 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.225 -6.839 -8.204 1.00 0.00 H new ATOM 505 N GLY A 35 -6.232 -4.888 -0.459 1.00 0.00 N ATOM 506 CA GLY A 35 -5.143 -5.840 -0.324 1.00 0.00 C ATOM 507 C GLY A 35 -3.831 -5.252 -0.848 1.00 0.00 C ATOM 508 O GLY A 35 -3.338 -5.663 -1.897 1.00 0.00 O ATOM 0 H GLY A 35 -6.136 -4.047 0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.028 -6.119 0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.382 -6.751 -0.873 1.00 0.00 H new ATOM 512 N CYS A 36 -3.304 -4.299 -0.094 1.00 0.00 N ATOM 513 CA CYS A 36 -2.059 -3.650 -0.469 1.00 0.00 C ATOM 514 C CYS A 36 -1.665 -2.683 0.650 1.00 0.00 C ATOM 515 O CYS A 36 -2.046 -2.875 1.804 1.00 0.00 O ATOM 516 CB CYS A 36 -2.176 -2.942 -1.820 1.00 0.00 C ATOM 517 SG CYS A 36 -0.817 -3.298 -2.993 1.00 0.00 S ATOM 0 H CYS A 36 -3.716 -3.960 0.775 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.277 -4.400 -0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.121 -3.227 -2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.217 -1.866 -1.648 1.00 0.00 H new ATOM 522 N CYS A 37 -0.907 -1.666 0.269 1.00 0.00 N ATOM 523 CA CYS A 37 -0.457 -0.669 1.226 1.00 0.00 C ATOM 524 C CYS A 37 -0.820 0.715 0.685 1.00 0.00 C ATOM 525 O CYS A 37 -0.839 0.926 -0.527 1.00 0.00 O ATOM 526 CB CYS A 37 1.041 -0.795 1.511 1.00 0.00 C ATOM 527 SG CYS A 37 1.477 -2.019 2.800 1.00 0.00 S ATOM 0 H CYS A 37 -0.593 -1.510 -0.689 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.957 -0.827 2.182 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.551 -1.065 0.586 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.423 0.181 1.812 1.00 0.00 H new ATOM 532 N PHE A 38 -1.101 1.622 1.609 1.00 0.00 N ATOM 533 CA PHE A 38 -1.463 2.980 1.240 1.00 0.00 C ATOM 534 C PHE A 38 -0.419 3.980 1.738 1.00 0.00 C ATOM 535 O PHE A 38 0.510 3.609 2.454 1.00 0.00 O ATOM 536 CB PHE A 38 -2.804 3.283 1.910 1.00 0.00 C ATOM 537 CG PHE A 38 -3.254 4.739 1.773 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.886 5.151 0.641 1.00 0.00 C ATOM 539 CD2 PHE A 38 -3.021 5.621 2.782 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.303 6.503 0.514 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.438 6.972 2.654 1.00 0.00 C ATOM 542 CZ PHE A 38 -4.070 7.385 1.522 1.00 0.00 C ATOM 0 H PHE A 38 -1.085 1.443 2.613 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.522 3.068 0.155 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.568 2.635 1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.734 3.033 2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.071 4.451 -0.160 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.519 5.294 3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.806 6.831 -0.384 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.254 7.672 3.455 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.386 8.413 1.424 1.00 0.00 H new ATOM 552 N ASP A 39 -0.607 5.230 1.341 1.00 0.00 N ATOM 553 CA ASP A 39 0.308 6.288 1.738 1.00 0.00 C ATOM 554 C ASP A 39 -0.164 7.615 1.141 1.00 0.00 C ATOM 555 O ASP A 39 -0.696 7.647 0.033 1.00 0.00 O ATOM 556 CB ASP A 39 1.723 6.014 1.225 1.00 0.00 C ATOM 557 CG ASP A 39 2.702 7.180 1.375 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.114 7.430 2.528 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.015 7.796 0.333 1.00 0.00 O ATOM 0 H ASP A 39 -1.379 5.534 0.748 1.00 0.00 H new ATOM 0 HA ASP A 39 0.322 6.331 2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.125 5.151 1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.665 5.741 0.171 1.00 0.00 H new ATOM 564 N SER A 40 0.049 8.678 1.902 1.00 0.00 N ATOM 565 CA SER A 40 -0.348 10.005 1.463 1.00 0.00 C ATOM 566 C SER A 40 0.782 11.003 1.724 1.00 0.00 C ATOM 567 O SER A 40 0.575 12.213 1.655 1.00 0.00 O ATOM 568 CB SER A 40 -1.629 10.458 2.165 1.00 0.00 C ATOM 569 OG SER A 40 -1.425 10.676 3.559 1.00 0.00 O ATOM 0 H SER A 40 0.492 8.647 2.820 1.00 0.00 H new ATOM 0 HA SER A 40 -0.548 9.965 0.392 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.990 11.377 1.703 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.405 9.705 2.025 1.00 0.00 H new ATOM 0 HG SER A 40 -2.266 10.966 3.971 1.00 0.00 H new ATOM 575 N ARG A 41 1.954 10.457 2.018 1.00 0.00 N ATOM 576 CA ARG A 41 3.117 11.285 2.290 1.00 0.00 C ATOM 577 C ARG A 41 3.424 12.180 1.088 1.00 0.00 C ATOM 578 O ARG A 41 3.529 13.398 1.227 1.00 0.00 O ATOM 579 CB ARG A 41 4.343 10.425 2.602 1.00 0.00 C ATOM 580 CG ARG A 41 5.227 11.094 3.657 1.00 0.00 C ATOM 581 CD ARG A 41 6.596 10.415 3.735 1.00 0.00 C ATOM 582 NE ARG A 41 7.270 10.778 5.001 1.00 0.00 N ATOM 583 CZ ARG A 41 6.905 10.318 6.206 1.00 0.00 C ATOM 584 NH1 ARG A 41 5.871 9.473 6.315 1.00 0.00 N ATOM 585 NH2 ARG A 41 7.575 10.702 7.301 1.00 0.00 N ATOM 0 H ARG A 41 2.123 9.453 2.074 1.00 0.00 H new ATOM 0 HA ARG A 41 2.889 11.903 3.159 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.024 9.445 2.958 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.918 10.261 1.691 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.354 12.149 3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.738 11.047 4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.478 9.333 3.673 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.210 10.718 2.887 1.00 0.00 H new ATOM 0 HE ARG A 41 8.062 11.419 4.954 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.362 9.180 5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.593 9.123 7.232 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.363 11.344 7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.297 10.352 8.218 1.00 0.00 H new ATOM 599 N ILE A 42 3.558 11.543 -0.066 1.00 0.00 N ATOM 600 CA ILE A 42 3.851 12.267 -1.291 1.00 0.00 C ATOM 601 C ILE A 42 3.015 11.687 -2.433 1.00 0.00 C ATOM 602 O ILE A 42 2.907 10.469 -2.573 1.00 0.00 O ATOM 603 CB ILE A 42 5.356 12.265 -1.568 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.045 11.105 -0.847 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.981 13.615 -1.211 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.517 9.758 -1.345 1.00 0.00 C ATOM 0 H ILE A 42 3.469 10.533 -0.178 1.00 0.00 H new ATOM 0 HA ILE A 42 3.570 13.315 -1.190 1.00 0.00 H new ATOM 0 HB ILE A 42 5.506 12.114 -2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.122 11.160 -1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.879 11.190 0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.051 13.587 -1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.517 14.400 -1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.821 13.822 -0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.023 8.951 -0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.445 9.697 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.706 9.666 -2.414 1.00 0.00 H new ATOM 618 N PRO A 43 2.428 12.609 -3.243 1.00 0.00 N ATOM 619 CA PRO A 43 1.605 12.202 -4.368 1.00 0.00 C ATOM 620 C PRO A 43 2.468 11.688 -5.522 1.00 0.00 C ATOM 621 O PRO A 43 2.093 10.739 -6.208 1.00 0.00 O ATOM 622 CB PRO A 43 0.799 13.438 -4.734 1.00 0.00 C ATOM 623 CG PRO A 43 1.532 14.614 -4.108 1.00 0.00 C ATOM 624 CD PRO A 43 2.533 14.059 -3.108 1.00 0.00 C ATOM 0 HA PRO A 43 0.945 11.369 -4.126 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.729 13.552 -5.816 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.220 13.366 -4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.042 15.198 -4.874 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.828 15.283 -3.613 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.543 14.405 -3.326 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.298 14.380 -2.093 1.00 0.00 H new ATOM 632 N GLY A 44 3.609 12.338 -5.700 1.00 0.00 N ATOM 633 CA GLY A 44 4.529 11.959 -6.759 1.00 0.00 C ATOM 634 C GLY A 44 4.608 10.437 -6.897 1.00 0.00 C ATOM 635 O GLY A 44 4.518 9.905 -8.003 1.00 0.00 O ATOM 0 H GLY A 44 3.917 13.125 -5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.204 12.397 -7.703 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.520 12.361 -6.546 1.00 0.00 H new ATOM 639 N VAL A 45 4.777 9.780 -5.759 1.00 0.00 N ATOM 640 CA VAL A 45 4.870 8.330 -5.740 1.00 0.00 C ATOM 641 C VAL A 45 3.461 7.733 -5.710 1.00 0.00 C ATOM 642 O VAL A 45 2.481 8.456 -5.535 1.00 0.00 O ATOM 643 CB VAL A 45 5.736 7.877 -4.562 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.800 8.925 -4.229 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.875 7.561 -3.338 1.00 0.00 C ATOM 0 H VAL A 45 4.852 10.225 -4.844 1.00 0.00 H new ATOM 0 HA VAL A 45 5.358 7.967 -6.644 1.00 0.00 H new ATOM 0 HB VAL A 45 6.249 6.961 -4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.402 8.579 -3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.442 9.079 -5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.315 9.865 -3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.515 7.242 -2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.322 8.452 -3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.174 6.763 -3.583 1.00 0.00 H new ATOM 655 N PRO A 46 3.404 6.386 -5.888 1.00 0.00 N ATOM 656 CA PRO A 46 2.131 5.684 -5.883 1.00 0.00 C ATOM 657 C PRO A 46 1.582 5.555 -4.461 1.00 0.00 C ATOM 658 O PRO A 46 1.924 4.617 -3.742 1.00 0.00 O ATOM 659 CB PRO A 46 2.421 4.341 -6.532 1.00 0.00 C ATOM 660 CG PRO A 46 3.927 4.156 -6.454 1.00 0.00 C ATOM 661 CD PRO A 46 4.544 5.499 -6.097 1.00 0.00 C ATOM 0 HA PRO A 46 1.354 6.217 -6.431 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.901 3.536 -6.012 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.079 4.325 -7.567 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.181 3.408 -5.703 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.317 3.798 -7.407 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.159 5.426 -5.200 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.188 5.864 -6.897 1.00 0.00 H new ATOM 669 N TRP A 47 0.739 6.511 -4.097 1.00 0.00 N ATOM 670 CA TRP A 47 0.139 6.516 -2.774 1.00 0.00 C ATOM 671 C TRP A 47 -0.094 5.062 -2.355 1.00 0.00 C ATOM 672 O TRP A 47 0.342 4.644 -1.283 1.00 0.00 O ATOM 673 CB TRP A 47 -1.140 7.355 -2.755 1.00 0.00 C ATOM 674 CG TRP A 47 -0.915 8.822 -2.382 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.177 9.569 -2.592 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.856 9.695 -1.720 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.011 10.854 -2.117 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.265 10.933 -1.570 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.162 9.446 -1.265 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.906 12.019 -0.963 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.790 10.542 -0.661 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.209 11.795 -0.501 1.00 0.00 C ATOM 0 H TRP A 47 0.458 7.287 -4.696 1.00 0.00 H new ATOM 0 HA TRP A 47 0.806 6.985 -2.050 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.608 7.308 -3.738 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.841 6.914 -2.047 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.075 9.210 -3.073 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.698 11.607 -2.159 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.643 8.485 -1.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.422 12.978 -0.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.796 10.404 -0.294 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.760 12.592 -0.023 1.00 0.00 H new ATOM 693 N CYS A 48 -0.780 4.333 -3.222 1.00 0.00 N ATOM 694 CA CYS A 48 -1.076 2.936 -2.956 1.00 0.00 C ATOM 695 C CYS A 48 -0.003 2.080 -3.632 1.00 0.00 C ATOM 696 O CYS A 48 0.035 1.980 -4.858 1.00 0.00 O ATOM 697 CB CYS A 48 -2.484 2.557 -3.419 1.00 0.00 C ATOM 698 SG CYS A 48 -3.157 1.032 -2.664 1.00 0.00 S ATOM 0 H CYS A 48 -1.140 4.684 -4.110 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.058 2.757 -1.881 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.159 3.384 -3.197 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.474 2.435 -4.502 1.00 0.00 H new ATOM 703 N PHE A 49 0.842 1.484 -2.804 1.00 0.00 N ATOM 704 CA PHE A 49 1.913 0.640 -3.307 1.00 0.00 C ATOM 705 C PHE A 49 1.909 -0.723 -2.613 1.00 0.00 C ATOM 706 O PHE A 49 1.260 -0.897 -1.582 1.00 0.00 O ATOM 707 CB PHE A 49 3.230 1.354 -2.995 1.00 0.00 C ATOM 708 CG PHE A 49 3.316 1.907 -1.571 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.444 1.055 -0.518 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.264 3.249 -1.358 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.524 1.568 0.804 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.344 3.761 -0.036 1.00 0.00 C ATOM 713 CZ PHE A 49 3.472 2.910 1.017 1.00 0.00 C ATOM 0 H PHE A 49 0.807 1.569 -1.788 1.00 0.00 H new ATOM 0 HA PHE A 49 1.784 0.474 -4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.055 0.659 -3.154 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.363 2.174 -3.701 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.485 -0.011 -0.687 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.162 3.925 -2.194 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.626 0.892 1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.303 4.827 0.133 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.532 3.300 2.022 1.00 0.00 H new ATOM 723 N LYS A 50 2.641 -1.655 -3.204 1.00 0.00 N ATOM 724 CA LYS A 50 2.730 -2.998 -2.655 1.00 0.00 C ATOM 725 C LYS A 50 3.477 -2.950 -1.321 1.00 0.00 C ATOM 726 O LYS A 50 4.149 -1.966 -1.017 1.00 0.00 O ATOM 727 CB LYS A 50 3.353 -3.953 -3.675 1.00 0.00 C ATOM 728 CG LYS A 50 2.404 -4.196 -4.851 1.00 0.00 C ATOM 729 CD LYS A 50 2.504 -5.640 -5.346 1.00 0.00 C ATOM 730 CE LYS A 50 2.609 -5.690 -6.872 1.00 0.00 C ATOM 731 NZ LYS A 50 1.490 -6.473 -7.443 1.00 0.00 N ATOM 0 H LYS A 50 3.179 -1.507 -4.058 1.00 0.00 H new ATOM 0 HA LYS A 50 1.735 -3.393 -2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.292 -3.538 -4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.590 -4.901 -3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.379 -3.982 -4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.644 -3.511 -5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.375 -6.121 -4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.629 -6.202 -5.019 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.596 -4.678 -7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.559 -6.138 -7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.576 -6.497 -8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.520 -7.444 -7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.587 -6.029 -7.181 1.00 0.00 H new ATOM 745 N PRO A 51 3.330 -4.054 -0.540 1.00 0.00 N ATOM 746 CA PRO A 51 3.982 -4.147 0.755 1.00 0.00 C ATOM 747 C PRO A 51 5.480 -4.416 0.596 1.00 0.00 C ATOM 748 O PRO A 51 5.875 -5.439 0.039 1.00 0.00 O ATOM 749 CB PRO A 51 3.252 -5.263 1.484 1.00 0.00 C ATOM 750 CG PRO A 51 2.532 -6.061 0.410 1.00 0.00 C ATOM 751 CD PRO A 51 2.541 -5.238 -0.868 1.00 0.00 C ATOM 0 HA PRO A 51 3.927 -3.217 1.321 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.951 -5.892 2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.546 -4.859 2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.027 -7.019 0.250 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.509 -6.278 0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.985 -5.794 -1.694 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.530 -4.968 -1.173 1.00 0.00 H new ATOM 759 N LEU A 52 6.273 -3.480 1.096 1.00 0.00 N ATOM 760 CA LEU A 52 7.719 -3.603 1.016 1.00 0.00 C ATOM 761 C LEU A 52 8.108 -5.078 1.139 1.00 0.00 C ATOM 762 O LEU A 52 7.650 -5.771 2.046 1.00 0.00 O ATOM 763 CB LEU A 52 8.392 -2.701 2.053 1.00 0.00 C ATOM 764 CG LEU A 52 9.897 -2.902 2.241 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.494 -1.790 3.105 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.198 -4.292 2.806 1.00 0.00 C ATOM 0 H LEU A 52 5.942 -2.633 1.558 1.00 0.00 H new ATOM 0 HA LEU A 52 8.078 -3.257 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.217 -1.663 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.902 -2.857 3.014 1.00 0.00 H new ATOM 0 HG LEU A 52 10.375 -2.842 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.565 -1.956 3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.327 -0.826 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.016 -1.794 4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.275 -4.409 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.707 -4.406 3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.827 -5.052 2.119 1.00 0.00 H new ATOM 778 N GLN A 53 8.949 -5.514 0.212 1.00 0.00 N ATOM 779 CA GLN A 53 9.404 -6.894 0.205 1.00 0.00 C ATOM 780 C GLN A 53 10.093 -7.232 1.529 1.00 0.00 C ATOM 781 O GLN A 53 11.316 -7.148 1.636 1.00 0.00 O ATOM 782 CB GLN A 53 10.335 -7.158 -0.980 1.00 0.00 C ATOM 783 CG GLN A 53 11.455 -6.117 -1.040 1.00 0.00 C ATOM 784 CD GLN A 53 11.227 -5.132 -2.189 1.00 0.00 C ATOM 785 OE1 GLN A 53 11.318 -5.470 -3.358 1.00 0.00 O ATOM 786 NE2 GLN A 53 10.928 -3.898 -1.792 1.00 0.00 N ATOM 0 H GLN A 53 9.327 -4.936 -0.539 1.00 0.00 H new ATOM 0 HA GLN A 53 8.535 -7.542 0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.765 -8.156 -0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.764 -7.136 -1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.503 -5.575 -0.096 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.415 -6.617 -1.170 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.868 -3.683 -0.797 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.759 -3.167 -2.483 1.00 0.00 H new ATOM 795 N GLU A 54 9.278 -7.607 2.504 1.00 0.00 N ATOM 796 CA GLU A 54 9.794 -7.959 3.816 1.00 0.00 C ATOM 797 C GLU A 54 10.719 -9.174 3.715 1.00 0.00 C ATOM 798 O GLU A 54 10.290 -10.305 3.939 1.00 0.00 O ATOM 799 CB GLU A 54 8.653 -8.218 4.802 1.00 0.00 C ATOM 800 CG GLU A 54 7.910 -9.510 4.453 1.00 0.00 C ATOM 801 CD GLU A 54 6.400 -9.340 4.637 1.00 0.00 C ATOM 802 OE1 GLU A 54 5.761 -8.867 3.673 1.00 0.00 O ATOM 803 OE2 GLU A 54 5.920 -9.688 5.737 1.00 0.00 O ATOM 0 H GLU A 54 8.264 -7.675 2.412 1.00 0.00 H new ATOM 0 HA GLU A 54 10.374 -7.117 4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.051 -8.285 5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.957 -7.379 4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.125 -9.791 3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.268 -10.322 5.086 1.00 0.00 H new ATOM 810 N ALA A 55 11.970 -8.898 3.378 1.00 0.00 N ATOM 811 CA ALA A 55 12.959 -9.955 3.245 1.00 0.00 C ATOM 812 C ALA A 55 13.877 -9.945 4.469 1.00 0.00 C ATOM 813 O ALA A 55 14.968 -9.378 4.426 1.00 0.00 O ATOM 814 CB ALA A 55 13.730 -9.771 1.936 1.00 0.00 C ATOM 0 H ALA A 55 12.322 -7.959 3.193 1.00 0.00 H new ATOM 0 HA ALA A 55 12.475 -10.931 3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.472 -10.563 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.037 -9.815 1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.232 -8.803 1.942 1.00 0.00 H new ATOM 820 N GLU A 56 13.402 -10.579 5.531 1.00 0.00 N ATOM 821 CA GLU A 56 14.166 -10.650 6.764 1.00 0.00 C ATOM 822 C GLU A 56 13.364 -11.379 7.844 1.00 0.00 C ATOM 823 O GLU A 56 13.829 -12.369 8.407 1.00 0.00 O ATOM 824 CB GLU A 56 14.579 -9.254 7.235 1.00 0.00 C ATOM 825 CG GLU A 56 16.086 -9.046 7.077 1.00 0.00 C ATOM 826 CD GLU A 56 16.424 -7.559 6.947 1.00 0.00 C ATOM 827 OE1 GLU A 56 15.884 -6.934 6.008 1.00 0.00 O ATOM 828 OE2 GLU A 56 17.213 -7.080 7.789 1.00 0.00 O ATOM 0 H GLU A 56 12.497 -11.048 5.563 1.00 0.00 H new ATOM 0 HA GLU A 56 15.077 -11.216 6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.042 -8.499 6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.297 -9.121 8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 56 16.607 -9.467 7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.440 -9.581 6.196 1.00 0.00 H new ATOM 835 N CYS A 57 12.173 -10.860 8.102 1.00 0.00 N ATOM 836 CA CYS A 57 11.301 -11.448 9.105 1.00 0.00 C ATOM 837 C CYS A 57 11.876 -11.130 10.487 1.00 0.00 C ATOM 838 O CYS A 57 11.264 -10.399 11.265 1.00 0.00 O ATOM 839 CB CYS A 57 11.129 -12.954 8.892 1.00 0.00 C ATOM 840 SG CYS A 57 9.405 -13.496 8.608 1.00 0.00 S ATOM 0 H CYS A 57 11.791 -10.038 7.634 1.00 0.00 H new ATOM 0 HA CYS A 57 10.303 -11.019 9.020 1.00 0.00 H new ATOM 0 HB2 CYS A 57 11.736 -13.258 8.039 1.00 0.00 H new ATOM 0 HB3 CYS A 57 11.521 -13.477 9.764 1.00 0.00 H new ATOM 0 HG CYS A 57 9.378 -14.785 8.438 1.00 0.00 H new ATOM 845 N THR A 58 13.045 -11.694 10.751 1.00 0.00 N ATOM 846 CA THR A 58 13.709 -11.479 12.026 1.00 0.00 C ATOM 847 C THR A 58 12.861 -12.039 13.170 1.00 0.00 C ATOM 848 O THR A 58 11.633 -11.999 13.114 1.00 0.00 O ATOM 849 CB THR A 58 14.001 -9.984 12.161 1.00 0.00 C ATOM 850 OG1 THR A 58 14.875 -9.700 11.072 1.00 0.00 O ATOM 851 CG2 THR A 58 14.834 -9.659 13.402 1.00 0.00 C ATOM 0 H THR A 58 13.550 -12.300 10.104 1.00 0.00 H new ATOM 0 HA THR A 58 14.657 -12.015 12.074 1.00 0.00 H new ATOM 0 HB THR A 58 13.061 -9.434 12.201 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.113 -8.749 11.083 1.00 0.00 H new ATOM 0 HG21 THR A 58 15.012 -8.585 13.449 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.296 -9.977 14.295 1.00 0.00 H new ATOM 0 HG23 THR A 58 15.788 -10.183 13.347 1.00 0.00 H new ATOM 859 N PHE A 59 13.550 -12.548 14.180 1.00 0.00 N ATOM 860 CA PHE A 59 12.876 -13.115 15.336 1.00 0.00 C ATOM 861 C PHE A 59 12.078 -14.361 14.947 1.00 0.00 C ATOM 862 O PHE A 59 11.919 -14.658 13.764 1.00 0.00 O ATOM 863 CB PHE A 59 11.912 -12.049 15.859 1.00 0.00 C ATOM 864 CG PHE A 59 11.819 -11.989 17.385 1.00 0.00 C ATOM 865 CD1 PHE A 59 11.510 -13.109 18.092 1.00 0.00 C ATOM 866 CD2 PHE A 59 12.045 -10.815 18.034 1.00 0.00 C ATOM 867 CE1 PHE A 59 11.423 -13.053 19.508 1.00 0.00 C ATOM 868 CE2 PHE A 59 11.959 -10.760 19.451 1.00 0.00 C ATOM 869 CZ PHE A 59 11.649 -11.880 20.158 1.00 0.00 C ATOM 0 H PHE A 59 14.569 -12.580 14.222 1.00 0.00 H new ATOM 0 HA PHE A 59 13.608 -13.405 16.089 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.227 -11.074 15.486 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.919 -12.241 15.452 1.00 0.00 H new ATOM 0 HD1 PHE A 59 11.331 -14.041 17.576 1.00 0.00 H new ATOM 0 HD2 PHE A 59 12.290 -9.925 17.472 1.00 0.00 H new ATOM 0 HE1 PHE A 59 11.177 -13.942 20.069 1.00 0.00 H new ATOM 0 HE2 PHE A 59 12.140 -9.829 19.967 1.00 0.00 H new ATOM 0 HZ PHE A 59 11.582 -11.838 21.235 1.00 0.00 H new TER 879 PHE A 59