USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 456 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 58 THR OG1 : rot -94:sc= 1.16 USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0.993 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -2.14! C(o=-2.1!,f=-16!) USER MOD Single : A 18 THR OG1 : rot 42:sc= 1.26 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.179 K(o=-0.18,f=-1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 33:sc= -2.4! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0212 X(o=-0.021,f=-0.14) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.001 -4.945 12.269 1.00 0.00 N ATOM 2 CA GLY A 1 -12.053 -6.314 11.682 1.00 0.00 C ATOM 3 C GLY A 1 -11.550 -6.267 10.238 1.00 0.00 C ATOM 4 O GLY A 1 -10.514 -5.702 9.950 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.343 -4.975 13.251 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.021 -4.598 12.254 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.603 -4.305 11.712 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.440 -6.997 12.270 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.074 -6.696 11.711 1.00 0.00 H new ATOM 10 N LYS A 2 -12.275 -6.857 9.327 1.00 0.00 N ATOM 11 CA LYS A 2 -11.835 -6.844 7.903 1.00 0.00 C ATOM 12 C LYS A 2 -13.008 -6.439 7.007 1.00 0.00 C ATOM 13 O LYS A 2 -13.113 -6.864 5.874 1.00 0.00 O ATOM 14 CB LYS A 2 -11.345 -8.238 7.506 1.00 0.00 C ATOM 15 CG LYS A 2 -12.530 -9.205 7.463 1.00 0.00 C ATOM 16 CD LYS A 2 -12.731 -9.698 6.029 1.00 0.00 C ATOM 17 CE LYS A 2 -12.920 -11.216 6.032 1.00 0.00 C ATOM 18 NZ LYS A 2 -11.716 -11.867 5.440 1.00 0.00 N ATOM 0 H LYS A 2 -13.152 -7.347 9.507 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.023 -6.127 7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.858 -8.200 6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.601 -8.590 8.220 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.349 -10.050 8.128 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.433 -8.708 7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.601 -9.214 5.585 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.870 -9.429 5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.076 -11.572 7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.809 -11.484 5.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.843 -12.899 5.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.587 -11.535 4.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.876 -11.621 6.002 1.00 0.00 H new ATOM 32 N GLU A 3 -13.892 -5.618 7.506 1.00 0.00 N ATOM 33 CA GLU A 3 -15.056 -5.182 6.683 1.00 0.00 C ATOM 34 C GLU A 3 -14.973 -3.673 6.441 1.00 0.00 C ATOM 35 O GLU A 3 -15.881 -3.071 5.903 1.00 0.00 O ATOM 36 CB GLU A 3 -16.356 -5.510 7.420 1.00 0.00 C ATOM 37 CG GLU A 3 -17.548 -5.240 6.498 1.00 0.00 C ATOM 38 CD GLU A 3 -18.557 -4.340 7.214 1.00 0.00 C ATOM 39 OE1 GLU A 3 -18.423 -4.173 8.414 1.00 0.00 O ATOM 40 OE2 GLU A 3 -19.446 -3.834 6.550 1.00 0.00 O ATOM 0 H GLU A 3 -13.858 -5.230 8.449 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.040 -5.705 5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.355 -6.554 7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.437 -4.905 8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -17.209 -4.763 5.578 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -18.021 -6.180 6.214 1.00 0.00 H new ATOM 47 N CYS A 4 -13.892 -3.056 6.834 1.00 0.00 N ATOM 48 CA CYS A 4 -13.753 -1.586 6.626 1.00 0.00 C ATOM 49 C CYS A 4 -12.744 -1.322 5.503 1.00 0.00 C ATOM 50 O CYS A 4 -11.649 -1.848 5.507 1.00 0.00 O ATOM 51 CB CYS A 4 -13.227 -0.932 7.912 1.00 0.00 C ATOM 52 SG CYS A 4 -14.556 -0.622 9.091 1.00 0.00 S ATOM 0 H CYS A 4 -13.099 -3.506 7.290 1.00 0.00 H new ATOM 0 HA CYS A 4 -14.726 -1.170 6.364 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -12.478 -1.578 8.369 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -12.731 0.007 7.667 1.00 0.00 H new ATOM 57 N ASP A 5 -13.091 -0.496 4.552 1.00 0.00 N ATOM 58 CA ASP A 5 -12.135 -0.191 3.451 1.00 0.00 C ATOM 59 C ASP A 5 -11.467 1.155 3.736 1.00 0.00 C ATOM 60 O ASP A 5 -10.346 1.400 3.335 1.00 0.00 O ATOM 61 CB ASP A 5 -12.871 -0.120 2.111 1.00 0.00 C ATOM 62 CG ASP A 5 -11.885 -0.424 0.985 1.00 0.00 C ATOM 63 OD1 ASP A 5 -10.926 0.319 0.849 1.00 0.00 O ATOM 64 OD2 ASP A 5 -12.100 -1.397 0.282 1.00 0.00 O ATOM 0 H ASP A 5 -13.992 -0.022 4.491 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.385 -0.980 3.396 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.693 -0.835 2.095 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.307 0.870 1.973 1.00 0.00 H new ATOM 69 N CYS A 6 -12.144 2.027 4.434 1.00 0.00 N ATOM 70 CA CYS A 6 -11.544 3.354 4.752 1.00 0.00 C ATOM 71 C CYS A 6 -11.364 3.483 6.267 1.00 0.00 C ATOM 72 O CYS A 6 -12.056 2.849 7.039 1.00 0.00 O ATOM 73 CB CYS A 6 -12.462 4.469 4.245 1.00 0.00 C ATOM 74 SG CYS A 6 -13.962 4.531 5.258 1.00 0.00 S ATOM 0 H CYS A 6 -13.085 1.878 4.797 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.573 3.439 4.264 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -11.944 5.427 4.286 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -12.723 4.292 3.202 1.00 0.00 H new ATOM 79 N SER A 7 -10.438 4.294 6.698 1.00 0.00 N ATOM 80 CA SER A 7 -10.214 4.459 8.163 1.00 0.00 C ATOM 81 C SER A 7 -10.961 5.697 8.663 1.00 0.00 C ATOM 82 O SER A 7 -10.967 5.995 9.842 1.00 0.00 O ATOM 83 CB SER A 7 -8.717 4.625 8.433 1.00 0.00 C ATOM 84 OG SER A 7 -8.359 3.859 9.576 1.00 0.00 O ATOM 0 H SER A 7 -9.827 4.850 6.100 1.00 0.00 H new ATOM 0 HA SER A 7 -10.585 3.578 8.686 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.141 4.299 7.567 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.479 5.676 8.596 1.00 0.00 H new ATOM 0 HG SER A 7 -7.400 3.962 9.751 1.00 0.00 H new ATOM 90 N SER A 8 -11.590 6.423 7.780 1.00 0.00 N ATOM 91 CA SER A 8 -12.332 7.641 8.214 1.00 0.00 C ATOM 92 C SER A 8 -13.799 7.535 7.772 1.00 0.00 C ATOM 93 O SER A 8 -14.076 7.180 6.644 1.00 0.00 O ATOM 94 CB SER A 8 -11.698 8.876 7.575 1.00 0.00 C ATOM 95 OG SER A 8 -10.342 8.976 7.992 1.00 0.00 O ATOM 0 H SER A 8 -11.623 6.227 6.780 1.00 0.00 H new ATOM 0 HA SER A 8 -12.286 7.726 9.300 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.752 8.806 6.489 1.00 0.00 H new ATOM 0 HB3 SER A 8 -12.247 9.772 7.865 1.00 0.00 H new ATOM 0 HG SER A 8 -9.931 9.766 7.583 1.00 0.00 H new ATOM 101 N PRO A 9 -14.696 7.846 8.675 1.00 0.00 N ATOM 102 CA PRO A 9 -16.144 7.796 8.405 1.00 0.00 C ATOM 103 C PRO A 9 -16.584 9.040 7.626 1.00 0.00 C ATOM 104 O PRO A 9 -17.692 9.117 7.136 1.00 0.00 O ATOM 105 CB PRO A 9 -16.768 7.780 9.803 1.00 0.00 C ATOM 106 CG PRO A 9 -15.715 8.391 10.758 1.00 0.00 C ATOM 107 CD PRO A 9 -14.354 8.278 10.046 1.00 0.00 C ATOM 0 HA PRO A 9 -16.440 6.938 7.801 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -17.692 8.358 9.823 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.022 6.763 10.104 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -15.951 9.432 10.979 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.700 7.859 11.709 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.826 9.232 10.043 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.705 7.556 10.541 1.00 0.00 H new ATOM 115 N GLU A 10 -15.723 10.015 7.514 1.00 0.00 N ATOM 116 CA GLU A 10 -16.090 11.254 6.770 1.00 0.00 C ATOM 117 C GLU A 10 -15.577 11.155 5.332 1.00 0.00 C ATOM 118 O GLU A 10 -15.503 12.134 4.619 1.00 0.00 O ATOM 119 CB GLU A 10 -15.457 12.465 7.457 1.00 0.00 C ATOM 120 CG GLU A 10 -13.943 12.265 7.550 1.00 0.00 C ATOM 121 CD GLU A 10 -13.265 13.612 7.808 1.00 0.00 C ATOM 122 OE1 GLU A 10 -13.945 14.519 8.258 1.00 0.00 O ATOM 123 OE2 GLU A 10 -12.077 13.713 7.549 1.00 0.00 O ATOM 0 H GLU A 10 -14.781 10.007 7.906 1.00 0.00 H new ATOM 0 HA GLU A 10 -17.174 11.367 6.761 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.681 13.373 6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.880 12.593 8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.706 11.567 8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.566 11.827 6.626 1.00 0.00 H new ATOM 130 N ASN A 11 -15.220 9.975 4.904 1.00 0.00 N ATOM 131 CA ASN A 11 -14.709 9.809 3.514 1.00 0.00 C ATOM 132 C ASN A 11 -15.846 9.313 2.611 1.00 0.00 C ATOM 133 O ASN A 11 -16.444 8.291 2.887 1.00 0.00 O ATOM 134 CB ASN A 11 -13.578 8.778 3.517 1.00 0.00 C ATOM 135 CG ASN A 11 -12.767 8.894 2.224 1.00 0.00 C ATOM 136 OD1 ASN A 11 -13.293 9.270 1.195 1.00 0.00 O ATOM 137 ND2 ASN A 11 -11.500 8.582 2.233 1.00 0.00 N ATOM 0 H ASN A 11 -15.260 9.119 5.457 1.00 0.00 H new ATOM 0 HA ASN A 11 -14.337 10.763 3.141 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.930 8.938 4.379 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.990 7.773 3.610 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.951 8.654 1.376 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.059 8.266 3.097 1.00 0.00 H new ATOM 144 N PRO A 12 -16.112 10.041 1.554 1.00 0.00 N ATOM 145 CA PRO A 12 -17.171 9.679 0.597 1.00 0.00 C ATOM 146 C PRO A 12 -16.697 8.527 -0.293 1.00 0.00 C ATOM 147 O PRO A 12 -17.437 8.005 -1.104 1.00 0.00 O ATOM 148 CB PRO A 12 -17.380 10.960 -0.215 1.00 0.00 C ATOM 149 CG PRO A 12 -16.080 11.783 -0.071 1.00 0.00 C ATOM 150 CD PRO A 12 -15.385 11.283 1.211 1.00 0.00 C ATOM 0 HA PRO A 12 -18.091 9.339 1.073 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.580 10.729 -1.261 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -18.238 11.520 0.157 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -15.436 11.646 -0.940 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -16.301 12.848 -0.002 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -14.326 11.091 1.041 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.451 12.018 2.013 1.00 0.00 H new ATOM 158 N CYS A 13 -15.464 8.125 -0.140 1.00 0.00 N ATOM 159 CA CYS A 13 -14.928 7.007 -0.960 1.00 0.00 C ATOM 160 C CYS A 13 -15.289 5.678 -0.301 1.00 0.00 C ATOM 161 O CYS A 13 -14.980 4.620 -0.814 1.00 0.00 O ATOM 162 CB CYS A 13 -13.408 7.135 -1.042 1.00 0.00 C ATOM 163 SG CYS A 13 -12.875 6.963 -2.761 1.00 0.00 S ATOM 0 H CYS A 13 -14.802 8.528 0.524 1.00 0.00 H new ATOM 0 HA CYS A 13 -15.357 7.044 -1.961 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -13.093 8.101 -0.648 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.935 6.370 -0.426 1.00 0.00 H new ATOM 168 N CYS A 14 -15.932 5.713 0.834 1.00 0.00 N ATOM 169 CA CYS A 14 -16.291 4.436 1.507 1.00 0.00 C ATOM 170 C CYS A 14 -17.655 4.543 2.182 1.00 0.00 C ATOM 171 O CYS A 14 -17.946 5.486 2.891 1.00 0.00 O ATOM 172 CB CYS A 14 -15.224 4.090 2.549 1.00 0.00 C ATOM 173 SG CYS A 14 -15.387 5.183 3.984 1.00 0.00 S ATOM 0 H CYS A 14 -16.221 6.562 1.319 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.341 3.648 0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -15.329 3.050 2.859 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.230 4.193 2.113 1.00 0.00 H new ATOM 178 N ASP A 15 -18.484 3.560 1.971 1.00 0.00 N ATOM 179 CA ASP A 15 -19.829 3.561 2.597 1.00 0.00 C ATOM 180 C ASP A 15 -19.670 3.394 4.108 1.00 0.00 C ATOM 181 O ASP A 15 -19.222 2.366 4.580 1.00 0.00 O ATOM 182 CB ASP A 15 -20.636 2.389 2.039 1.00 0.00 C ATOM 183 CG ASP A 15 -22.129 2.717 2.104 1.00 0.00 C ATOM 184 OD1 ASP A 15 -22.461 3.890 2.074 1.00 0.00 O ATOM 185 OD2 ASP A 15 -22.917 1.787 2.184 1.00 0.00 O ATOM 0 H ASP A 15 -18.283 2.749 1.386 1.00 0.00 H new ATOM 0 HA ASP A 15 -20.344 4.497 2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -20.342 2.190 1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -20.427 1.485 2.611 1.00 0.00 H new ATOM 190 N ALA A 16 -20.024 4.394 4.868 1.00 0.00 N ATOM 191 CA ALA A 16 -19.886 4.291 6.348 1.00 0.00 C ATOM 192 C ALA A 16 -20.717 3.112 6.858 1.00 0.00 C ATOM 193 O ALA A 16 -20.338 2.430 7.788 1.00 0.00 O ATOM 194 CB ALA A 16 -20.379 5.584 6.999 1.00 0.00 C ATOM 0 H ALA A 16 -20.403 5.278 4.528 1.00 0.00 H new ATOM 0 HA ALA A 16 -18.838 4.134 6.604 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.278 5.508 8.082 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.785 6.423 6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -21.426 5.744 6.743 1.00 0.00 H new ATOM 200 N ALA A 17 -21.850 2.865 6.257 1.00 0.00 N ATOM 201 CA ALA A 17 -22.699 1.729 6.713 1.00 0.00 C ATOM 202 C ALA A 17 -21.863 0.448 6.735 1.00 0.00 C ATOM 203 O ALA A 17 -21.642 -0.142 7.775 1.00 0.00 O ATOM 204 CB ALA A 17 -23.876 1.552 5.753 1.00 0.00 C ATOM 0 H ALA A 17 -22.223 3.400 5.472 1.00 0.00 H new ATOM 0 HA ALA A 17 -23.076 1.936 7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -24.497 0.721 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -24.471 2.465 5.735 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -23.500 1.344 4.751 1.00 0.00 H new ATOM 210 N THR A 18 -21.396 0.014 5.596 1.00 0.00 N ATOM 211 CA THR A 18 -20.575 -1.229 5.554 1.00 0.00 C ATOM 212 C THR A 18 -19.118 -0.887 5.879 1.00 0.00 C ATOM 213 O THR A 18 -18.313 -1.759 6.143 1.00 0.00 O ATOM 214 CB THR A 18 -20.657 -1.850 4.158 1.00 0.00 C ATOM 215 OG1 THR A 18 -19.740 -2.932 4.068 1.00 0.00 O ATOM 216 CG2 THR A 18 -20.310 -0.797 3.106 1.00 0.00 C ATOM 0 H THR A 18 -21.547 0.466 4.694 1.00 0.00 H new ATOM 0 HA THR A 18 -20.954 -1.940 6.288 1.00 0.00 H new ATOM 0 HB THR A 18 -21.669 -2.215 3.982 1.00 0.00 H new ATOM 0 HG1 THR A 18 -19.769 -3.455 4.896 1.00 0.00 H new ATOM 0 HG21 THR A 18 -20.369 -1.242 2.113 1.00 0.00 H new ATOM 0 HG22 THR A 18 -21.014 0.032 3.175 1.00 0.00 H new ATOM 0 HG23 THR A 18 -19.299 -0.429 3.279 1.00 0.00 H new ATOM 224 N CYS A 19 -18.772 0.374 5.867 1.00 0.00 N ATOM 225 CA CYS A 19 -17.366 0.762 6.183 1.00 0.00 C ATOM 226 C CYS A 19 -16.455 0.423 5.008 1.00 0.00 C ATOM 227 O CYS A 19 -15.250 0.407 5.141 1.00 0.00 O ATOM 228 CB CYS A 19 -16.885 -0.033 7.392 1.00 0.00 C ATOM 229 SG CYS A 19 -15.588 0.872 8.241 1.00 0.00 S ATOM 0 H CYS A 19 -19.400 1.149 5.653 1.00 0.00 H new ATOM 0 HA CYS A 19 -17.335 1.833 6.385 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -17.717 -0.217 8.072 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.513 -1.007 7.073 1.00 0.00 H new ATOM 234 N LYS A 20 -17.004 0.128 3.869 1.00 0.00 N ATOM 235 CA LYS A 20 -16.130 -0.241 2.722 1.00 0.00 C ATOM 236 C LYS A 20 -16.157 0.842 1.646 1.00 0.00 C ATOM 237 O LYS A 20 -16.766 1.878 1.806 1.00 0.00 O ATOM 238 CB LYS A 20 -16.614 -1.562 2.134 1.00 0.00 C ATOM 239 CG LYS A 20 -15.972 -2.719 2.894 1.00 0.00 C ATOM 240 CD LYS A 20 -14.850 -3.328 2.051 1.00 0.00 C ATOM 241 CE LYS A 20 -14.915 -4.853 2.138 1.00 0.00 C ATOM 242 NZ LYS A 20 -15.752 -5.378 1.023 1.00 0.00 N ATOM 0 H LYS A 20 -18.006 0.125 3.680 1.00 0.00 H new ATOM 0 HA LYS A 20 -15.105 -0.342 3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.700 -1.626 2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.356 -1.619 1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.575 -2.366 3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.721 -3.477 3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.946 -3.008 1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.882 -2.974 2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.911 -5.274 2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.336 -5.156 3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.797 -6.415 1.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.712 -4.985 1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.332 -5.100 0.113 1.00 0.00 H new ATOM 256 N LEU A 21 -15.490 0.607 0.546 1.00 0.00 N ATOM 257 CA LEU A 21 -15.468 1.623 -0.541 1.00 0.00 C ATOM 258 C LEU A 21 -16.871 1.782 -1.124 1.00 0.00 C ATOM 259 O LEU A 21 -17.631 0.838 -1.208 1.00 0.00 O ATOM 260 CB LEU A 21 -14.511 1.186 -1.647 1.00 0.00 C ATOM 261 CG LEU A 21 -13.086 1.597 -1.276 1.00 0.00 C ATOM 262 CD1 LEU A 21 -12.104 0.518 -1.734 1.00 0.00 C ATOM 263 CD2 LEU A 21 -12.743 2.918 -1.961 1.00 0.00 C ATOM 0 H LEU A 21 -14.961 -0.244 0.356 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.131 2.574 -0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.566 0.106 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.799 1.643 -2.594 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.015 1.716 -0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.089 0.813 -1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.347 -0.426 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.175 0.396 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.727 3.212 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.817 2.797 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.440 3.689 -1.634 1.00 0.00 H new ATOM 275 N ARG A 22 -17.217 2.971 -1.523 1.00 0.00 N ATOM 276 CA ARG A 22 -18.572 3.199 -2.101 1.00 0.00 C ATOM 277 C ARG A 22 -18.517 3.109 -3.631 1.00 0.00 C ATOM 278 O ARG A 22 -19.258 2.351 -4.225 1.00 0.00 O ATOM 279 CB ARG A 22 -19.089 4.577 -1.683 1.00 0.00 C ATOM 280 CG ARG A 22 -20.502 4.439 -1.112 1.00 0.00 C ATOM 281 CD ARG A 22 -21.437 5.420 -1.821 1.00 0.00 C ATOM 282 NE ARG A 22 -22.847 4.964 -1.662 1.00 0.00 N ATOM 283 CZ ARG A 22 -23.506 5.251 -0.572 1.00 0.00 C ATOM 284 NH1 ARG A 22 -23.390 6.434 -0.033 1.00 0.00 N ATOM 285 NH2 ARG A 22 -24.279 4.356 -0.023 1.00 0.00 N ATOM 0 H ARG A 22 -16.621 3.797 -1.475 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.248 2.431 -1.726 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -18.425 5.016 -0.938 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -19.096 5.250 -2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -20.861 3.418 -1.244 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -20.494 4.638 -0.040 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -21.317 6.420 -1.403 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -21.181 5.484 -2.879 1.00 0.00 H new ATOM 0 HE ARG A 22 -23.297 4.428 -2.404 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -22.785 7.133 -0.463 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -23.904 6.659 0.819 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -24.369 3.432 -0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -24.794 4.580 0.829 1.00 0.00 H new ATOM 299 N PRO A 23 -17.651 3.890 -4.234 1.00 0.00 N ATOM 300 CA PRO A 23 -17.503 3.913 -5.696 1.00 0.00 C ATOM 301 C PRO A 23 -16.624 2.752 -6.166 1.00 0.00 C ATOM 302 O PRO A 23 -16.404 1.796 -5.450 1.00 0.00 O ATOM 303 CB PRO A 23 -16.823 5.258 -5.968 1.00 0.00 C ATOM 304 CG PRO A 23 -16.114 5.664 -4.654 1.00 0.00 C ATOM 305 CD PRO A 23 -16.744 4.822 -3.528 1.00 0.00 C ATOM 0 HA PRO A 23 -18.451 3.806 -6.223 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -16.107 5.173 -6.785 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -17.555 6.010 -6.263 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -15.042 5.480 -4.721 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -16.243 6.729 -4.459 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -15.984 4.285 -2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -17.288 5.447 -2.820 1.00 0.00 H new ATOM 313 N GLY A 24 -16.112 2.835 -7.363 1.00 0.00 N ATOM 314 CA GLY A 24 -15.237 1.744 -7.878 1.00 0.00 C ATOM 315 C GLY A 24 -13.797 2.024 -7.450 1.00 0.00 C ATOM 316 O GLY A 24 -12.858 1.459 -7.975 1.00 0.00 O ATOM 0 H GLY A 24 -16.262 3.612 -8.007 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.566 0.781 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.304 1.688 -8.965 1.00 0.00 H new ATOM 320 N ALA A 25 -13.621 2.895 -6.495 1.00 0.00 N ATOM 321 CA ALA A 25 -12.252 3.224 -6.020 1.00 0.00 C ATOM 322 C ALA A 25 -11.647 2.003 -5.328 1.00 0.00 C ATOM 323 O ALA A 25 -12.349 1.203 -4.742 1.00 0.00 O ATOM 324 CB ALA A 25 -12.341 4.386 -5.027 1.00 0.00 C ATOM 0 H ALA A 25 -14.373 3.395 -6.022 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.622 3.506 -6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.342 4.637 -4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.779 5.254 -5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.965 4.095 -4.182 1.00 0.00 H new ATOM 330 N GLN A 26 -10.352 1.851 -5.388 1.00 0.00 N ATOM 331 CA GLN A 26 -9.708 0.681 -4.729 1.00 0.00 C ATOM 332 C GLN A 26 -9.541 0.972 -3.240 1.00 0.00 C ATOM 333 O GLN A 26 -9.507 0.077 -2.418 1.00 0.00 O ATOM 334 CB GLN A 26 -8.332 0.438 -5.353 1.00 0.00 C ATOM 335 CG GLN A 26 -8.354 -0.867 -6.148 1.00 0.00 C ATOM 336 CD GLN A 26 -9.139 -0.661 -7.445 1.00 0.00 C ATOM 337 OE1 GLN A 26 -10.267 -1.099 -7.563 1.00 0.00 O ATOM 338 NE2 GLN A 26 -8.587 -0.008 -8.430 1.00 0.00 N ATOM 0 H GLN A 26 -9.713 2.487 -5.865 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.331 -0.203 -4.864 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.066 1.269 -6.006 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.572 0.388 -4.574 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.336 -1.185 -6.373 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.812 -1.659 -5.555 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.641 0.360 -8.331 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.102 0.135 -9.299 1.00 0.00 H new ATOM 347 N CYS A 27 -9.430 2.222 -2.887 1.00 0.00 N ATOM 348 CA CYS A 27 -9.257 2.581 -1.455 1.00 0.00 C ATOM 349 C CYS A 27 -9.855 3.961 -1.199 1.00 0.00 C ATOM 350 O CYS A 27 -10.206 4.679 -2.114 1.00 0.00 O ATOM 351 CB CYS A 27 -7.763 2.617 -1.118 1.00 0.00 C ATOM 352 SG CYS A 27 -6.867 3.427 -2.465 1.00 0.00 S ATOM 0 H CYS A 27 -9.452 3.012 -3.532 1.00 0.00 H new ATOM 0 HA CYS A 27 -9.761 1.840 -0.834 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -7.602 3.154 -0.184 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.387 1.604 -0.972 1.00 0.00 H new ATOM 357 N GLY A 28 -9.961 4.343 0.043 1.00 0.00 N ATOM 358 CA GLY A 28 -10.518 5.682 0.367 1.00 0.00 C ATOM 359 C GLY A 28 -9.376 6.592 0.797 1.00 0.00 C ATOM 360 O GLY A 28 -9.308 7.746 0.422 1.00 0.00 O ATOM 0 H GLY A 28 -9.684 3.782 0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.028 6.100 -0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.258 5.601 1.163 1.00 0.00 H new ATOM 364 N GLU A 29 -8.476 6.076 1.581 1.00 0.00 N ATOM 365 CA GLU A 29 -7.331 6.903 2.039 1.00 0.00 C ATOM 366 C GLU A 29 -6.094 6.015 2.216 1.00 0.00 C ATOM 367 O GLU A 29 -6.178 4.803 2.158 1.00 0.00 O ATOM 368 CB GLU A 29 -7.701 7.566 3.364 1.00 0.00 C ATOM 369 CG GLU A 29 -7.636 6.536 4.494 1.00 0.00 C ATOM 370 CD GLU A 29 -6.520 6.915 5.469 1.00 0.00 C ATOM 371 OE1 GLU A 29 -6.766 7.750 6.325 1.00 0.00 O ATOM 372 OE2 GLU A 29 -5.437 6.365 5.343 1.00 0.00 O ATOM 0 H GLU A 29 -8.484 5.116 1.925 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.105 7.672 1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.019 8.391 3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.704 7.989 3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.591 6.494 5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.453 5.543 4.084 1.00 0.00 H new ATOM 379 N GLY A 30 -4.950 6.602 2.435 1.00 0.00 N ATOM 380 CA GLY A 30 -3.717 5.782 2.617 1.00 0.00 C ATOM 381 C GLY A 30 -2.494 6.580 2.158 1.00 0.00 C ATOM 382 O GLY A 30 -2.607 7.700 1.699 1.00 0.00 O ATOM 0 H GLY A 30 -4.815 7.611 2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.607 5.500 3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.796 4.858 2.045 1.00 0.00 H new ATOM 386 N LEU A 31 -1.325 6.010 2.279 1.00 0.00 N ATOM 387 CA LEU A 31 -0.095 6.733 1.851 1.00 0.00 C ATOM 388 C LEU A 31 0.145 6.501 0.360 1.00 0.00 C ATOM 389 O LEU A 31 0.696 7.338 -0.328 1.00 0.00 O ATOM 390 CB LEU A 31 1.110 6.212 2.639 1.00 0.00 C ATOM 391 CG LEU A 31 1.535 7.256 3.672 1.00 0.00 C ATOM 392 CD1 LEU A 31 2.607 6.661 4.586 1.00 0.00 C ATOM 393 CD2 LEU A 31 2.101 8.481 2.951 1.00 0.00 C ATOM 0 H LEU A 31 -1.170 5.075 2.656 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.224 7.799 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.856 5.276 3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.936 5.999 1.961 1.00 0.00 H new ATOM 0 HG LEU A 31 0.672 7.551 4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.911 7.405 5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.205 5.787 5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.471 6.367 3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.405 9.227 3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.965 8.186 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.337 8.904 2.298 1.00 0.00 H new ATOM 405 N CYS A 32 -0.252 5.365 -0.145 1.00 0.00 N ATOM 406 CA CYS A 32 -0.031 5.080 -1.589 1.00 0.00 C ATOM 407 C CYS A 32 -1.371 4.967 -2.316 1.00 0.00 C ATOM 408 O CYS A 32 -1.565 4.105 -3.150 1.00 0.00 O ATOM 409 CB CYS A 32 0.748 3.773 -1.728 1.00 0.00 C ATOM 410 SG CYS A 32 2.426 4.020 -1.097 1.00 0.00 S ATOM 0 H CYS A 32 -0.718 4.625 0.379 1.00 0.00 H new ATOM 0 HA CYS A 32 0.538 5.895 -2.035 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.250 2.977 -1.174 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.780 3.463 -2.772 1.00 0.00 H new ATOM 415 N CYS A 33 -2.293 5.840 -2.017 1.00 0.00 N ATOM 416 CA CYS A 33 -3.615 5.790 -2.704 1.00 0.00 C ATOM 417 C CYS A 33 -3.922 7.167 -3.300 1.00 0.00 C ATOM 418 O CYS A 33 -4.301 8.086 -2.602 1.00 0.00 O ATOM 419 CB CYS A 33 -4.707 5.403 -1.702 1.00 0.00 C ATOM 420 SG CYS A 33 -4.980 3.615 -1.768 1.00 0.00 S ATOM 0 H CYS A 33 -2.189 6.585 -1.328 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.586 5.045 -3.499 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.413 5.700 -0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.632 5.932 -1.933 1.00 0.00 H new ATOM 425 N GLU A 34 -3.761 7.316 -4.588 1.00 0.00 N ATOM 426 CA GLU A 34 -4.040 8.627 -5.230 1.00 0.00 C ATOM 427 C GLU A 34 -5.387 8.551 -5.940 1.00 0.00 C ATOM 428 O GLU A 34 -5.676 7.603 -6.643 1.00 0.00 O ATOM 429 CB GLU A 34 -2.943 8.946 -6.248 1.00 0.00 C ATOM 430 CG GLU A 34 -1.791 9.666 -5.546 1.00 0.00 C ATOM 431 CD GLU A 34 -1.337 10.857 -6.391 1.00 0.00 C ATOM 432 OE1 GLU A 34 -2.030 11.184 -7.340 1.00 0.00 O ATOM 433 OE2 GLU A 34 -0.304 11.423 -6.074 1.00 0.00 O ATOM 0 H GLU A 34 -3.447 6.582 -5.223 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.063 9.411 -4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.583 8.027 -6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.343 9.570 -7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.109 10.007 -4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.959 8.978 -5.392 1.00 0.00 H new ATOM 440 N GLN A 35 -6.221 9.530 -5.754 1.00 0.00 N ATOM 441 CA GLN A 35 -7.551 9.496 -6.411 1.00 0.00 C ATOM 442 C GLN A 35 -8.306 8.262 -5.924 1.00 0.00 C ATOM 443 O GLN A 35 -9.090 7.675 -6.643 1.00 0.00 O ATOM 444 CB GLN A 35 -7.376 9.426 -7.930 1.00 0.00 C ATOM 445 CG GLN A 35 -8.042 10.642 -8.572 1.00 0.00 C ATOM 446 CD GLN A 35 -9.025 10.177 -9.649 1.00 0.00 C ATOM 447 OE1 GLN A 35 -9.671 9.159 -9.500 1.00 0.00 O ATOM 448 NE2 GLN A 35 -9.167 10.888 -10.734 1.00 0.00 N ATOM 0 H GLN A 35 -6.040 10.351 -5.176 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.111 10.397 -6.161 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.316 9.401 -8.185 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.819 8.508 -8.317 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.565 11.225 -7.814 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.287 11.294 -9.011 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.624 11.743 -10.858 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.821 10.589 -11.458 1.00 0.00 H new ATOM 457 N CYS A 36 -8.067 7.860 -4.706 1.00 0.00 N ATOM 458 CA CYS A 36 -8.763 6.661 -4.169 1.00 0.00 C ATOM 459 C CYS A 36 -8.351 5.432 -4.982 1.00 0.00 C ATOM 460 O CYS A 36 -9.090 4.475 -5.094 1.00 0.00 O ATOM 461 CB CYS A 36 -10.273 6.852 -4.283 1.00 0.00 C ATOM 462 SG CYS A 36 -10.928 7.499 -2.725 1.00 0.00 S ATOM 0 H CYS A 36 -7.419 8.312 -4.060 1.00 0.00 H new ATOM 0 HA CYS A 36 -8.491 6.522 -3.123 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.501 7.539 -5.098 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -10.752 5.903 -4.523 1.00 0.00 H new ATOM 467 N LYS A 37 -7.178 5.452 -5.552 1.00 0.00 N ATOM 468 CA LYS A 37 -6.728 4.283 -6.357 1.00 0.00 C ATOM 469 C LYS A 37 -5.378 3.799 -5.834 1.00 0.00 C ATOM 470 O LYS A 37 -4.604 4.560 -5.285 1.00 0.00 O ATOM 471 CB LYS A 37 -6.592 4.695 -7.825 1.00 0.00 C ATOM 472 CG LYS A 37 -6.762 3.465 -8.719 1.00 0.00 C ATOM 473 CD LYS A 37 -7.089 3.909 -10.146 1.00 0.00 C ATOM 474 CE LYS A 37 -8.260 3.087 -10.685 1.00 0.00 C ATOM 475 NZ LYS A 37 -9.546 3.700 -10.244 1.00 0.00 N ATOM 0 H LYS A 37 -6.514 6.224 -5.495 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.460 3.479 -6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.343 5.445 -8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.617 5.151 -7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.849 2.869 -8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.559 2.830 -8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.340 4.970 -10.159 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.216 3.780 -10.786 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.219 3.047 -11.773 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.193 2.060 -10.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.342 3.140 -10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.585 3.716 -9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.610 4.672 -10.608 1.00 0.00 H new ATOM 489 N PHE A 38 -5.084 2.540 -5.999 1.00 0.00 N ATOM 490 CA PHE A 38 -3.782 2.016 -5.509 1.00 0.00 C ATOM 491 C PHE A 38 -2.655 2.616 -6.342 1.00 0.00 C ATOM 492 O PHE A 38 -2.689 2.594 -7.557 1.00 0.00 O ATOM 493 CB PHE A 38 -3.745 0.493 -5.660 1.00 0.00 C ATOM 494 CG PHE A 38 -4.411 -0.162 -4.475 1.00 0.00 C ATOM 495 CD1 PHE A 38 -4.099 0.254 -3.175 1.00 0.00 C ATOM 496 CD2 PHE A 38 -5.336 -1.194 -4.677 1.00 0.00 C ATOM 497 CE1 PHE A 38 -4.715 -0.361 -2.077 1.00 0.00 C ATOM 498 CE2 PHE A 38 -5.951 -1.807 -3.580 1.00 0.00 C ATOM 499 CZ PHE A 38 -5.641 -1.392 -2.281 1.00 0.00 C ATOM 0 H PHE A 38 -5.688 1.854 -6.451 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.661 2.284 -4.459 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.251 0.199 -6.580 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.713 0.153 -5.741 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.384 1.048 -3.019 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.575 -1.517 -5.680 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.476 -0.040 -1.074 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.666 -2.601 -3.736 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.116 -1.867 -1.435 1.00 0.00 H new ATOM 509 N SER A 39 -1.647 3.140 -5.705 1.00 0.00 N ATOM 510 CA SER A 39 -0.518 3.719 -6.477 1.00 0.00 C ATOM 511 C SER A 39 0.225 2.568 -7.155 1.00 0.00 C ATOM 512 O SER A 39 -0.382 1.621 -7.615 1.00 0.00 O ATOM 513 CB SER A 39 0.425 4.468 -5.529 1.00 0.00 C ATOM 514 OG SER A 39 -0.333 5.351 -4.713 1.00 0.00 O ATOM 0 H SER A 39 -1.557 3.192 -4.690 1.00 0.00 H new ATOM 0 HA SER A 39 -0.885 4.423 -7.224 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.972 3.759 -4.907 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.165 5.028 -6.101 1.00 0.00 H new ATOM 0 HG SER A 39 -1.215 4.961 -4.541 1.00 0.00 H new ATOM 520 N ARG A 40 1.522 2.622 -7.218 1.00 0.00 N ATOM 521 CA ARG A 40 2.264 1.507 -7.863 1.00 0.00 C ATOM 522 C ARG A 40 3.272 0.932 -6.869 1.00 0.00 C ATOM 523 O ARG A 40 3.604 1.551 -5.877 1.00 0.00 O ATOM 524 CB ARG A 40 2.999 2.024 -9.102 1.00 0.00 C ATOM 525 CG ARG A 40 2.551 1.231 -10.332 1.00 0.00 C ATOM 526 CD ARG A 40 3.482 1.544 -11.506 1.00 0.00 C ATOM 527 NE ARG A 40 2.859 1.078 -12.778 1.00 0.00 N ATOM 528 CZ ARG A 40 1.764 1.640 -13.216 1.00 0.00 C ATOM 529 NH1 ARG A 40 1.830 2.723 -13.942 1.00 0.00 N ATOM 530 NH2 ARG A 40 0.602 1.118 -12.930 1.00 0.00 N ATOM 0 H ARG A 40 2.097 3.382 -6.855 1.00 0.00 H new ATOM 0 HA ARG A 40 1.563 0.728 -8.164 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.791 3.084 -9.245 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.076 1.926 -8.966 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.567 0.163 -10.115 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.524 1.488 -10.590 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.674 2.616 -11.555 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.445 1.054 -11.360 1.00 0.00 H new ATOM 0 HE ARG A 40 3.289 0.319 -13.307 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.737 3.131 -14.168 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.974 3.161 -14.283 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.549 0.271 -12.364 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.253 1.557 -13.272 1.00 0.00 H new ATOM 544 N ALA A 41 3.762 -0.246 -7.126 1.00 0.00 N ATOM 545 CA ALA A 41 4.751 -0.856 -6.198 1.00 0.00 C ATOM 546 C ALA A 41 6.071 -0.097 -6.313 1.00 0.00 C ATOM 547 O ALA A 41 6.287 0.651 -7.246 1.00 0.00 O ATOM 548 CB ALA A 41 4.963 -2.326 -6.567 1.00 0.00 C ATOM 0 H ALA A 41 3.521 -0.813 -7.939 1.00 0.00 H new ATOM 0 HA ALA A 41 4.383 -0.798 -5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.688 -2.771 -5.886 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.016 -2.861 -6.489 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.336 -2.394 -7.589 1.00 0.00 H new ATOM 554 N GLY A 42 6.954 -0.271 -5.371 1.00 0.00 N ATOM 555 CA GLY A 42 8.249 0.457 -5.434 1.00 0.00 C ATOM 556 C GLY A 42 7.998 1.937 -5.139 1.00 0.00 C ATOM 557 O GLY A 42 8.782 2.795 -5.495 1.00 0.00 O ATOM 0 H GLY A 42 6.835 -0.883 -4.564 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.951 0.042 -4.711 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.700 0.340 -6.419 1.00 0.00 H new ATOM 561 N LYS A 43 6.905 2.243 -4.487 1.00 0.00 N ATOM 562 CA LYS A 43 6.598 3.670 -4.166 1.00 0.00 C ATOM 563 C LYS A 43 7.127 3.989 -2.765 1.00 0.00 C ATOM 564 O LYS A 43 6.688 3.422 -1.787 1.00 0.00 O ATOM 565 CB LYS A 43 5.077 3.888 -4.217 1.00 0.00 C ATOM 566 CG LYS A 43 4.680 5.117 -3.386 1.00 0.00 C ATOM 567 CD LYS A 43 5.167 6.389 -4.083 1.00 0.00 C ATOM 568 CE LYS A 43 4.375 6.599 -5.375 1.00 0.00 C ATOM 569 NZ LYS A 43 5.319 6.709 -6.523 1.00 0.00 N ATOM 0 H LYS A 43 6.213 1.567 -4.163 1.00 0.00 H new ATOM 0 HA LYS A 43 7.075 4.328 -4.892 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.758 4.022 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.564 3.004 -3.837 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.598 5.150 -3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.113 5.049 -2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.042 7.248 -3.424 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.231 6.310 -4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.689 5.767 -5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.769 7.502 -5.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.782 6.852 -7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.957 7.517 -6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.878 5.835 -6.597 1.00 0.00 H new ATOM 583 N ILE A 44 8.060 4.895 -2.663 1.00 0.00 N ATOM 584 CA ILE A 44 8.617 5.244 -1.325 1.00 0.00 C ATOM 585 C ILE A 44 7.519 5.837 -0.438 1.00 0.00 C ATOM 586 O ILE A 44 7.301 7.032 -0.411 1.00 0.00 O ATOM 587 CB ILE A 44 9.742 6.265 -1.494 1.00 0.00 C ATOM 588 CG1 ILE A 44 10.176 6.779 -0.119 1.00 0.00 C ATOM 589 CG2 ILE A 44 9.241 7.437 -2.339 1.00 0.00 C ATOM 590 CD1 ILE A 44 10.914 5.670 0.633 1.00 0.00 C ATOM 0 H ILE A 44 8.461 5.409 -3.448 1.00 0.00 H new ATOM 0 HA ILE A 44 9.007 4.342 -0.854 1.00 0.00 H new ATOM 0 HB ILE A 44 10.590 5.793 -1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.823 7.649 -0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.305 7.102 0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.042 8.166 -2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.930 7.073 -3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.394 7.908 -1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 44 11.223 6.037 1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.252 4.813 0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.794 5.368 0.065 1.00 0.00 H new ATOM 602 N CYS A 45 6.839 5.002 0.296 1.00 0.00 N ATOM 603 CA CYS A 45 5.759 5.495 1.203 1.00 0.00 C ATOM 604 C CYS A 45 6.381 5.973 2.509 1.00 0.00 C ATOM 605 O CYS A 45 5.887 6.877 3.155 1.00 0.00 O ATOM 606 CB CYS A 45 4.796 4.358 1.516 1.00 0.00 C ATOM 607 SG CYS A 45 5.730 2.884 2.006 1.00 0.00 S ATOM 0 H CYS A 45 6.984 3.992 0.308 1.00 0.00 H new ATOM 0 HA CYS A 45 5.226 6.311 0.716 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.118 4.653 2.316 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.182 4.138 0.643 1.00 0.00 H new ATOM 612 N ARG A 46 7.457 5.362 2.907 1.00 0.00 N ATOM 613 CA ARG A 46 8.113 5.766 4.181 1.00 0.00 C ATOM 614 C ARG A 46 9.586 6.085 3.929 1.00 0.00 C ATOM 615 O ARG A 46 10.281 5.358 3.249 1.00 0.00 O ATOM 616 CB ARG A 46 8.007 4.621 5.191 1.00 0.00 C ATOM 617 CG ARG A 46 8.332 5.140 6.592 1.00 0.00 C ATOM 618 CD ARG A 46 7.033 5.469 7.329 1.00 0.00 C ATOM 619 NE ARG A 46 7.326 5.711 8.770 1.00 0.00 N ATOM 620 CZ ARG A 46 7.477 4.701 9.582 1.00 0.00 C ATOM 621 NH1 ARG A 46 6.429 4.115 10.095 1.00 0.00 N ATOM 622 NH2 ARG A 46 8.675 4.279 9.883 1.00 0.00 N ATOM 0 H ARG A 46 7.913 4.599 2.406 1.00 0.00 H new ATOM 0 HA ARG A 46 7.616 6.653 4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.002 4.199 5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.695 3.820 4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.897 4.391 7.147 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.960 6.029 6.525 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.566 6.350 6.889 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.325 4.647 7.224 1.00 0.00 H new ATOM 0 HE ARG A 46 7.408 6.665 9.121 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.493 4.447 9.861 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.546 3.325 10.730 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.493 4.739 9.483 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.793 3.489 10.518 1.00 0.00 H new ATOM 636 N ILE A 47 10.067 7.167 4.477 1.00 0.00 N ATOM 637 CA ILE A 47 11.497 7.531 4.277 1.00 0.00 C ATOM 638 C ILE A 47 12.311 7.048 5.473 1.00 0.00 C ATOM 639 O ILE A 47 11.779 6.539 6.440 1.00 0.00 O ATOM 640 CB ILE A 47 11.634 9.050 4.166 1.00 0.00 C ATOM 641 CG1 ILE A 47 10.797 9.717 5.259 1.00 0.00 C ATOM 642 CG2 ILE A 47 11.147 9.514 2.795 1.00 0.00 C ATOM 643 CD1 ILE A 47 11.165 11.200 5.350 1.00 0.00 C ATOM 0 H ILE A 47 9.531 7.815 5.055 1.00 0.00 H new ATOM 0 HA ILE A 47 11.861 7.064 3.362 1.00 0.00 H new ATOM 0 HB ILE A 47 12.681 9.328 4.287 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.736 9.608 5.037 1.00 0.00 H new ATOM 0 HG13 ILE A 47 10.974 9.228 6.217 1.00 0.00 H new ATOM 0 HG21 ILE A 47 11.247 10.597 2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.746 9.040 2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 47 10.101 9.236 2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.569 11.676 6.129 1.00 0.00 H new ATOM 0 HD12 ILE A 47 12.223 11.298 5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.965 11.684 4.394 1.00 0.00 H new ATOM 655 N ALA A 48 13.601 7.213 5.418 1.00 0.00 N ATOM 656 CA ALA A 48 14.457 6.778 6.552 1.00 0.00 C ATOM 657 C ALA A 48 15.191 7.998 7.104 1.00 0.00 C ATOM 658 O ALA A 48 16.387 8.142 6.942 1.00 0.00 O ATOM 659 CB ALA A 48 15.468 5.745 6.058 1.00 0.00 C ATOM 0 H ALA A 48 14.101 7.632 4.634 1.00 0.00 H new ATOM 0 HA ALA A 48 13.845 6.329 7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.097 5.425 6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.939 4.884 5.651 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.091 6.188 5.281 1.00 0.00 H new ATOM 665 N ARG A 49 14.483 8.881 7.753 1.00 0.00 N ATOM 666 CA ARG A 49 15.149 10.098 8.311 1.00 0.00 C ATOM 667 C ARG A 49 15.945 9.710 9.557 1.00 0.00 C ATOM 668 O ARG A 49 15.650 10.144 10.653 1.00 0.00 O ATOM 669 CB ARG A 49 14.129 11.189 8.696 1.00 0.00 C ATOM 670 CG ARG A 49 12.700 10.779 8.324 1.00 0.00 C ATOM 671 CD ARG A 49 12.144 9.838 9.396 1.00 0.00 C ATOM 672 NE ARG A 49 10.829 9.297 8.951 1.00 0.00 N ATOM 673 CZ ARG A 49 10.244 8.355 9.639 1.00 0.00 C ATOM 674 NH1 ARG A 49 10.200 8.431 10.942 1.00 0.00 N ATOM 675 NH2 ARG A 49 9.705 7.337 9.026 1.00 0.00 N ATOM 0 H ARG A 49 13.479 8.816 7.922 1.00 0.00 H new ATOM 0 HA ARG A 49 15.804 10.501 7.538 1.00 0.00 H new ATOM 0 HB2 ARG A 49 14.186 11.380 9.768 1.00 0.00 H new ATOM 0 HB3 ARG A 49 14.384 12.121 8.192 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.068 11.663 8.237 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.693 10.285 7.352 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.843 9.021 9.576 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.029 10.372 10.339 1.00 0.00 H new ATOM 0 HE ARG A 49 10.386 9.663 8.108 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.623 9.226 11.421 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.743 7.695 11.481 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.741 7.277 8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.248 6.601 9.564 1.00 0.00 H new ATOM 689 N GLY A 50 16.953 8.895 9.402 1.00 0.00 N ATOM 690 CA GLY A 50 17.764 8.484 10.582 1.00 0.00 C ATOM 691 C GLY A 50 18.733 7.374 10.171 1.00 0.00 C ATOM 692 O GLY A 50 19.326 7.416 9.111 1.00 0.00 O ATOM 0 H GLY A 50 17.249 8.497 8.511 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.317 9.338 10.972 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.111 8.134 11.382 1.00 0.00 H new ATOM 696 N ASP A 51 18.898 6.381 11.001 1.00 0.00 N ATOM 697 CA ASP A 51 19.827 5.268 10.657 1.00 0.00 C ATOM 698 C ASP A 51 19.019 4.064 10.170 1.00 0.00 C ATOM 699 O ASP A 51 18.853 3.088 10.876 1.00 0.00 O ATOM 700 CB ASP A 51 20.634 4.874 11.895 1.00 0.00 C ATOM 701 CG ASP A 51 21.451 3.618 11.593 1.00 0.00 C ATOM 702 OD1 ASP A 51 21.627 3.317 10.424 1.00 0.00 O ATOM 703 OD2 ASP A 51 21.888 2.977 12.536 1.00 0.00 O ATOM 0 H ASP A 51 18.430 6.292 11.903 1.00 0.00 H new ATOM 0 HA ASP A 51 20.507 5.593 9.870 1.00 0.00 H new ATOM 0 HB2 ASP A 51 21.296 5.690 12.186 1.00 0.00 H new ATOM 0 HB3 ASP A 51 19.965 4.692 12.736 1.00 0.00 H new ATOM 708 N MET A 52 18.512 4.126 8.970 1.00 0.00 N ATOM 709 CA MET A 52 17.713 2.987 8.438 1.00 0.00 C ATOM 710 C MET A 52 17.479 3.185 6.938 1.00 0.00 C ATOM 711 O MET A 52 17.632 4.277 6.427 1.00 0.00 O ATOM 712 CB MET A 52 16.363 2.926 9.158 1.00 0.00 C ATOM 713 CG MET A 52 15.932 4.337 9.564 1.00 0.00 C ATOM 714 SD MET A 52 14.174 4.329 9.995 1.00 0.00 S ATOM 715 CE MET A 52 14.161 5.878 10.930 1.00 0.00 C ATOM 0 H MET A 52 18.617 4.917 8.334 1.00 0.00 H new ATOM 0 HA MET A 52 18.256 2.056 8.604 1.00 0.00 H new ATOM 0 HB2 MET A 52 15.612 2.479 8.506 1.00 0.00 H new ATOM 0 HB3 MET A 52 16.439 2.290 10.040 1.00 0.00 H new ATOM 0 HG2 MET A 52 16.524 4.680 10.413 1.00 0.00 H new ATOM 0 HG3 MET A 52 16.114 5.034 8.746 1.00 0.00 H new ATOM 0 HE1 MET A 52 13.153 6.073 11.297 1.00 0.00 H new ATOM 0 HE2 MET A 52 14.846 5.799 11.774 1.00 0.00 H new ATOM 0 HE3 MET A 52 14.476 6.696 10.283 1.00 0.00 H new ATOM 725 N PRO A 53 17.113 2.117 6.276 1.00 0.00 N ATOM 726 CA PRO A 53 16.847 2.134 4.828 1.00 0.00 C ATOM 727 C PRO A 53 15.474 2.749 4.543 1.00 0.00 C ATOM 728 O PRO A 53 14.836 3.300 5.417 1.00 0.00 O ATOM 729 CB PRO A 53 16.877 0.653 4.441 1.00 0.00 C ATOM 730 CG PRO A 53 16.595 -0.142 5.738 1.00 0.00 C ATOM 731 CD PRO A 53 16.932 0.796 6.912 1.00 0.00 C ATOM 0 HA PRO A 53 17.566 2.730 4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 53 16.127 0.435 3.681 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.845 0.381 4.021 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.552 -0.456 5.781 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.202 -1.046 5.778 1.00 0.00 H new ATOM 0 HD2 PRO A 53 16.130 0.815 7.650 1.00 0.00 H new ATOM 0 HD3 PRO A 53 17.835 0.476 7.431 1.00 0.00 H new ATOM 739 N ASP A 54 15.017 2.663 3.325 1.00 0.00 N ATOM 740 CA ASP A 54 13.688 3.245 2.985 1.00 0.00 C ATOM 741 C ASP A 54 12.693 2.118 2.698 1.00 0.00 C ATOM 742 O ASP A 54 13.056 0.961 2.627 1.00 0.00 O ATOM 743 CB ASP A 54 13.827 4.134 1.748 1.00 0.00 C ATOM 744 CG ASP A 54 15.149 4.901 1.817 1.00 0.00 C ATOM 745 OD1 ASP A 54 15.318 5.668 2.749 1.00 0.00 O ATOM 746 OD2 ASP A 54 15.971 4.707 0.935 1.00 0.00 O ATOM 0 H ASP A 54 15.506 2.215 2.550 1.00 0.00 H new ATOM 0 HA ASP A 54 13.325 3.840 3.823 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.794 3.526 0.844 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.992 4.832 1.693 1.00 0.00 H new ATOM 751 N ASP A 55 11.440 2.447 2.533 1.00 0.00 N ATOM 752 CA ASP A 55 10.424 1.393 2.251 1.00 0.00 C ATOM 753 C ASP A 55 9.567 1.816 1.057 1.00 0.00 C ATOM 754 O ASP A 55 9.251 2.978 0.889 1.00 0.00 O ATOM 755 CB ASP A 55 9.530 1.206 3.477 1.00 0.00 C ATOM 756 CG ASP A 55 9.170 -0.273 3.627 1.00 0.00 C ATOM 757 OD1 ASP A 55 8.515 -0.797 2.742 1.00 0.00 O ATOM 758 OD2 ASP A 55 9.557 -0.858 4.626 1.00 0.00 O ATOM 0 H ASP A 55 11.077 3.399 2.581 1.00 0.00 H new ATOM 0 HA ASP A 55 10.929 0.455 2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.044 1.558 4.372 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.624 1.803 3.374 1.00 0.00 H new ATOM 763 N ARG A 56 9.191 0.886 0.220 1.00 0.00 N ATOM 764 CA ARG A 56 8.362 1.252 -0.963 1.00 0.00 C ATOM 765 C ARG A 56 7.055 0.449 -0.964 1.00 0.00 C ATOM 766 O ARG A 56 7.038 -0.728 -0.662 1.00 0.00 O ATOM 767 CB ARG A 56 9.145 0.948 -2.242 1.00 0.00 C ATOM 768 CG ARG A 56 10.026 2.148 -2.598 1.00 0.00 C ATOM 769 CD ARG A 56 11.399 1.654 -3.060 1.00 0.00 C ATOM 770 NE ARG A 56 12.337 1.632 -1.902 1.00 0.00 N ATOM 771 CZ ARG A 56 13.478 2.263 -1.973 1.00 0.00 C ATOM 772 NH1 ARG A 56 13.538 3.446 -2.522 1.00 0.00 N ATOM 773 NH2 ARG A 56 14.559 1.710 -1.493 1.00 0.00 N ATOM 0 H ARG A 56 9.420 -0.104 0.304 1.00 0.00 H new ATOM 0 HA ARG A 56 8.125 2.315 -0.916 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.761 0.060 -2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 56 8.457 0.733 -3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.556 2.737 -3.385 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.135 2.802 -1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.312 0.656 -3.490 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.787 2.306 -3.843 1.00 0.00 H new ATOM 0 HE ARG A 56 12.088 1.124 -1.054 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.693 3.878 -2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.430 3.938 -2.577 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.512 0.786 -1.063 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.451 2.202 -1.548 1.00 0.00 H new ATOM 787 N CYS A 57 5.958 1.078 -1.308 1.00 0.00 N ATOM 788 CA CYS A 57 4.652 0.349 -1.333 1.00 0.00 C ATOM 789 C CYS A 57 4.710 -0.782 -2.354 1.00 0.00 C ATOM 790 O CYS A 57 5.528 -0.778 -3.256 1.00 0.00 O ATOM 791 CB CYS A 57 3.526 1.296 -1.749 1.00 0.00 C ATOM 792 SG CYS A 57 2.938 2.228 -0.319 1.00 0.00 S ATOM 0 H CYS A 57 5.910 2.062 -1.572 1.00 0.00 H new ATOM 0 HA CYS A 57 4.463 -0.045 -0.334 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.882 1.981 -2.518 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.705 0.727 -2.185 1.00 0.00 H new ATOM 797 N THR A 58 3.827 -1.737 -2.228 1.00 0.00 N ATOM 798 CA THR A 58 3.798 -2.869 -3.193 1.00 0.00 C ATOM 799 C THR A 58 2.780 -2.568 -4.292 1.00 0.00 C ATOM 800 O THR A 58 2.400 -3.434 -5.055 1.00 0.00 O ATOM 801 CB THR A 58 3.395 -4.152 -2.463 1.00 0.00 C ATOM 802 OG1 THR A 58 1.981 -4.196 -2.338 1.00 0.00 O ATOM 803 CG2 THR A 58 4.032 -4.174 -1.073 1.00 0.00 C ATOM 0 H THR A 58 3.121 -1.779 -1.493 1.00 0.00 H new ATOM 0 HA THR A 58 4.786 -2.999 -3.634 1.00 0.00 H new ATOM 0 HB THR A 58 3.739 -5.017 -3.030 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.717 -3.822 -1.471 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.744 -5.089 -0.555 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.117 -4.138 -1.169 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.690 -3.311 -0.502 1.00 0.00 H new ATOM 811 N GLY A 59 2.336 -1.345 -4.379 1.00 0.00 N ATOM 812 CA GLY A 59 1.342 -0.987 -5.428 1.00 0.00 C ATOM 813 C GLY A 59 -0.057 -1.402 -4.970 1.00 0.00 C ATOM 814 O GLY A 59 -0.967 -0.602 -4.927 1.00 0.00 O ATOM 0 H GLY A 59 2.619 -0.578 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.370 0.086 -5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.592 -1.484 -6.365 1.00 0.00 H new ATOM 818 N GLN A 60 -0.236 -2.649 -4.630 1.00 0.00 N ATOM 819 CA GLN A 60 -1.579 -3.113 -4.181 1.00 0.00 C ATOM 820 C GLN A 60 -1.814 -2.690 -2.728 1.00 0.00 C ATOM 821 O GLN A 60 -2.824 -3.014 -2.136 1.00 0.00 O ATOM 822 CB GLN A 60 -1.648 -4.640 -4.283 1.00 0.00 C ATOM 823 CG GLN A 60 -1.368 -5.071 -5.724 1.00 0.00 C ATOM 824 CD GLN A 60 -2.322 -6.202 -6.113 1.00 0.00 C ATOM 825 OE1 GLN A 60 -3.525 -6.051 -6.035 1.00 0.00 O ATOM 826 NE2 GLN A 60 -1.834 -7.337 -6.533 1.00 0.00 N ATOM 0 H GLN A 60 0.489 -3.366 -4.644 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.346 -2.667 -4.815 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.920 -5.093 -3.609 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.632 -4.991 -3.972 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.496 -4.225 -6.399 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.334 -5.403 -5.821 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.824 -7.465 -6.599 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.462 -8.096 -6.795 1.00 0.00 H new ATOM 835 N SER A 61 -0.889 -1.977 -2.145 1.00 0.00 N ATOM 836 CA SER A 61 -1.072 -1.550 -0.726 1.00 0.00 C ATOM 837 C SER A 61 -1.414 -0.059 -0.661 1.00 0.00 C ATOM 838 O SER A 61 -0.757 0.768 -1.263 1.00 0.00 O ATOM 839 CB SER A 61 0.219 -1.806 0.050 1.00 0.00 C ATOM 840 OG SER A 61 0.654 -3.138 -0.191 1.00 0.00 O ATOM 0 H SER A 61 -0.020 -1.673 -2.585 1.00 0.00 H new ATOM 0 HA SER A 61 -1.890 -2.122 -0.287 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.989 -1.098 -0.258 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.053 -1.652 1.116 1.00 0.00 H new ATOM 0 HG SER A 61 1.483 -3.306 0.304 1.00 0.00 H new ATOM 846 N ALA A 62 -2.433 0.293 0.080 1.00 0.00 N ATOM 847 CA ALA A 62 -2.810 1.730 0.200 1.00 0.00 C ATOM 848 C ALA A 62 -1.953 2.376 1.288 1.00 0.00 C ATOM 849 O ALA A 62 -1.291 3.371 1.063 1.00 0.00 O ATOM 850 CB ALA A 62 -4.286 1.842 0.582 1.00 0.00 C ATOM 0 H ALA A 62 -3.020 -0.354 0.607 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.646 2.236 -0.752 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.560 2.893 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.898 1.370 -0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.454 1.343 1.536 1.00 0.00 H new ATOM 856 N ASP A 63 -1.954 1.814 2.466 1.00 0.00 N ATOM 857 CA ASP A 63 -1.133 2.391 3.564 1.00 0.00 C ATOM 858 C ASP A 63 0.313 1.927 3.402 1.00 0.00 C ATOM 859 O ASP A 63 0.669 1.305 2.420 1.00 0.00 O ATOM 860 CB ASP A 63 -1.667 1.920 4.916 1.00 0.00 C ATOM 861 CG ASP A 63 -3.084 2.456 5.121 1.00 0.00 C ATOM 862 OD1 ASP A 63 -3.355 3.551 4.657 1.00 0.00 O ATOM 863 OD2 ASP A 63 -3.876 1.764 5.740 1.00 0.00 O ATOM 0 H ASP A 63 -2.488 0.981 2.714 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.182 3.479 3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.669 0.831 4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.016 2.269 5.717 1.00 0.00 H new ATOM 868 N CYS A 64 1.153 2.228 4.351 1.00 0.00 N ATOM 869 CA CYS A 64 2.573 1.806 4.235 1.00 0.00 C ATOM 870 C CYS A 64 3.027 1.127 5.525 1.00 0.00 C ATOM 871 O CYS A 64 3.045 1.736 6.577 1.00 0.00 O ATOM 872 CB CYS A 64 3.432 3.032 3.946 1.00 0.00 C ATOM 873 SG CYS A 64 5.175 2.559 3.919 1.00 0.00 S ATOM 0 H CYS A 64 0.918 2.746 5.198 1.00 0.00 H new ATOM 0 HA CYS A 64 2.679 1.091 3.419 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.149 3.469 2.989 1.00 0.00 H new ATOM 0 HB3 CYS A 64 3.263 3.794 4.707 1.00 0.00 H new ATOM 878 N PRO A 65 3.378 -0.128 5.398 1.00 0.00 N ATOM 879 CA PRO A 65 3.838 -0.942 6.527 1.00 0.00 C ATOM 880 C PRO A 65 5.315 -0.666 6.826 1.00 0.00 C ATOM 881 O PRO A 65 5.886 0.296 6.351 1.00 0.00 O ATOM 882 CB PRO A 65 3.648 -2.372 6.026 1.00 0.00 C ATOM 883 CG PRO A 65 3.632 -2.312 4.484 1.00 0.00 C ATOM 884 CD PRO A 65 3.346 -0.854 4.108 1.00 0.00 C ATOM 0 HA PRO A 65 3.299 -0.736 7.452 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.455 -3.014 6.378 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.717 -2.793 6.405 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.587 -2.638 4.073 1.00 0.00 H new ATOM 0 HG3 PRO A 65 2.868 -2.974 4.078 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.095 -0.468 3.416 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.377 -0.752 3.619 1.00 0.00 H new ATOM 892 N ARG A 66 5.937 -1.509 7.605 1.00 0.00 N ATOM 893 CA ARG A 66 7.376 -1.304 7.932 1.00 0.00 C ATOM 894 C ARG A 66 8.153 -2.584 7.616 1.00 0.00 C ATOM 895 O ARG A 66 7.630 -3.509 7.027 1.00 0.00 O ATOM 896 CB ARG A 66 7.520 -0.974 9.420 1.00 0.00 C ATOM 897 CG ARG A 66 8.306 0.329 9.583 1.00 0.00 C ATOM 898 CD ARG A 66 8.843 0.426 11.013 1.00 0.00 C ATOM 899 NE ARG A 66 10.155 1.133 11.005 1.00 0.00 N ATOM 900 CZ ARG A 66 11.165 0.648 11.676 1.00 0.00 C ATOM 901 NH1 ARG A 66 11.609 -0.550 11.413 1.00 0.00 N ATOM 902 NH2 ARG A 66 11.732 1.363 12.608 1.00 0.00 N ATOM 0 H ARG A 66 5.509 -2.332 8.029 1.00 0.00 H new ATOM 0 HA ARG A 66 7.772 -0.480 7.339 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.536 -0.877 9.878 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.032 -1.787 9.935 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.130 0.360 8.871 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.664 1.183 9.365 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.133 0.961 11.644 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.958 -0.571 11.438 1.00 0.00 H new ATOM 0 HE ARG A 66 10.264 1.997 10.474 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.167 -1.109 10.683 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.398 -0.928 11.938 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.387 2.301 12.813 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.521 0.984 13.132 1.00 0.00 H new ATOM 916 N TYR A 67 9.399 -2.647 8.003 1.00 0.00 N ATOM 917 CA TYR A 67 10.203 -3.869 7.724 1.00 0.00 C ATOM 918 C TYR A 67 9.755 -4.997 8.655 1.00 0.00 C ATOM 919 O TYR A 67 10.531 -5.523 9.427 1.00 0.00 O ATOM 920 CB TYR A 67 11.685 -3.569 7.959 1.00 0.00 C ATOM 921 CG TYR A 67 12.371 -3.346 6.632 1.00 0.00 C ATOM 922 CD1 TYR A 67 12.598 -4.426 5.770 1.00 0.00 C ATOM 923 CD2 TYR A 67 12.779 -2.059 6.263 1.00 0.00 C ATOM 924 CE1 TYR A 67 13.235 -4.218 4.540 1.00 0.00 C ATOM 925 CE2 TYR A 67 13.415 -1.851 5.034 1.00 0.00 C ATOM 926 CZ TYR A 67 13.643 -2.930 4.172 1.00 0.00 C ATOM 927 OH TYR A 67 14.271 -2.724 2.960 1.00 0.00 O ATOM 0 H TYR A 67 9.893 -1.906 8.499 1.00 0.00 H new ATOM 0 HA TYR A 67 10.055 -4.174 6.688 1.00 0.00 H new ATOM 0 HB2 TYR A 67 11.793 -2.686 8.589 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.155 -4.398 8.489 1.00 0.00 H new ATOM 0 HD1 TYR A 67 12.282 -5.419 6.054 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.603 -1.226 6.927 1.00 0.00 H new ATOM 0 HE1 TYR A 67 13.411 -5.051 3.876 1.00 0.00 H new ATOM 0 HE2 TYR A 67 13.730 -0.858 4.750 1.00 0.00 H new ATOM 0 HH TYR A 67 14.487 -1.773 2.861 1.00 0.00 H new ATOM 937 N HIS A 68 8.506 -5.369 8.589 1.00 0.00 N ATOM 938 CA HIS A 68 8.005 -6.460 9.471 1.00 0.00 C ATOM 939 C HIS A 68 8.754 -7.757 9.155 1.00 0.00 C ATOM 940 O HIS A 68 8.982 -8.524 10.074 1.00 0.00 O ATOM 941 CB HIS A 68 6.508 -6.663 9.225 1.00 0.00 C ATOM 942 CG HIS A 68 6.017 -7.825 10.045 1.00 0.00 C ATOM 943 ND1 HIS A 68 5.404 -8.927 9.471 1.00 0.00 N ATOM 944 CD2 HIS A 68 6.046 -8.072 11.395 1.00 0.00 C ATOM 945 CE1 HIS A 68 5.092 -9.781 10.462 1.00 0.00 C ATOM 946 NE2 HIS A 68 5.461 -9.309 11.656 1.00 0.00 N ATOM 947 OXT HIS A 68 9.085 -7.960 7.998 1.00 0.00 O ATOM 0 H HIS A 68 7.811 -4.964 7.962 1.00 0.00 H new ATOM 0 HA HIS A 68 8.171 -6.191 10.514 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.959 -5.759 9.491 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.324 -6.848 8.167 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.459 -7.409 12.141 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.603 -10.732 10.311 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.340 -9.758 12.564 1.00 0.00 H new TER 955 HIS A 68