USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 460 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 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 -40:sc= 0.282 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.39! C(o=-1.4!,f=-9.1!) USER MOD Single : A 18 THR OG1 : rot -23:sc= 0.544! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.171 K(o=-0.17,f=-2.7!) USER MOD Single : A 35 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 110:sc= -0.429! 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 58 THR OG1 : rot 6:sc= 0.913! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 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 -8.284 -13.388 8.547 1.00 0.00 N ATOM 2 CA GLY A 1 -8.343 -12.090 9.276 1.00 0.00 C ATOM 3 C GLY A 1 -8.377 -10.940 8.267 1.00 0.00 C ATOM 4 O GLY A 1 -7.561 -10.040 8.308 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.261 -14.170 9.232 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.123 -13.484 7.940 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.427 -13.417 7.959 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.228 -12.057 9.911 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.477 -11.988 9.930 1.00 0.00 H new ATOM 10 N LYS A 2 -9.316 -10.962 7.361 1.00 0.00 N ATOM 11 CA LYS A 2 -9.402 -9.870 6.350 1.00 0.00 C ATOM 12 C LYS A 2 -10.840 -9.354 6.280 1.00 0.00 C ATOM 13 O LYS A 2 -11.576 -9.660 5.362 1.00 0.00 O ATOM 14 CB LYS A 2 -8.987 -10.408 4.978 1.00 0.00 C ATOM 15 CG LYS A 2 -7.894 -9.514 4.387 1.00 0.00 C ATOM 16 CD LYS A 2 -8.321 -9.033 2.999 1.00 0.00 C ATOM 17 CE LYS A 2 -7.294 -9.489 1.960 1.00 0.00 C ATOM 18 NZ LYS A 2 -7.997 -10.117 0.806 1.00 0.00 N ATOM 0 H LYS A 2 -10.027 -11.688 7.277 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.736 -9.057 6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.623 -11.431 5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.849 -10.436 4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.716 -8.660 5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.956 -10.065 4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.305 -9.431 2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.405 -7.946 2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.703 -8.638 1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.600 -10.201 2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.298 -10.427 0.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.542 -10.939 1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -8.642 -9.425 0.374 1.00 0.00 H new ATOM 32 N GLU A 3 -11.247 -8.573 7.242 1.00 0.00 N ATOM 33 CA GLU A 3 -12.638 -8.038 7.229 1.00 0.00 C ATOM 34 C GLU A 3 -12.603 -6.523 7.434 1.00 0.00 C ATOM 35 O GLU A 3 -13.586 -5.917 7.811 1.00 0.00 O ATOM 36 CB GLU A 3 -13.448 -8.688 8.353 1.00 0.00 C ATOM 37 CG GLU A 3 -12.729 -8.483 9.689 1.00 0.00 C ATOM 38 CD GLU A 3 -13.363 -9.380 10.753 1.00 0.00 C ATOM 39 OE1 GLU A 3 -13.450 -10.574 10.519 1.00 0.00 O ATOM 40 OE2 GLU A 3 -13.750 -8.857 11.786 1.00 0.00 O ATOM 0 H GLU A 3 -10.677 -8.282 8.036 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.105 -8.264 6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.446 -8.252 8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.574 -9.753 8.156 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.670 -8.718 9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.795 -7.438 9.993 1.00 0.00 H new ATOM 47 N CYS A 4 -11.481 -5.905 7.184 1.00 0.00 N ATOM 48 CA CYS A 4 -11.389 -4.428 7.363 1.00 0.00 C ATOM 49 C CYS A 4 -10.636 -3.817 6.179 1.00 0.00 C ATOM 50 O CYS A 4 -9.439 -3.974 6.046 1.00 0.00 O ATOM 51 CB CYS A 4 -10.638 -4.112 8.658 1.00 0.00 C ATOM 52 SG CYS A 4 -11.822 -3.740 9.976 1.00 0.00 S ATOM 0 H CYS A 4 -10.625 -6.358 6.864 1.00 0.00 H new ATOM 0 HA CYS A 4 -12.394 -4.008 7.415 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -10.015 -4.959 8.944 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -9.971 -3.263 8.505 1.00 0.00 H new ATOM 57 N ASP A 5 -11.325 -3.117 5.320 1.00 0.00 N ATOM 58 CA ASP A 5 -10.645 -2.496 4.150 1.00 0.00 C ATOM 59 C ASP A 5 -10.158 -1.095 4.532 1.00 0.00 C ATOM 60 O ASP A 5 -9.372 -0.487 3.833 1.00 0.00 O ATOM 61 CB ASP A 5 -11.629 -2.394 2.980 1.00 0.00 C ATOM 62 CG ASP A 5 -11.145 -3.264 1.818 1.00 0.00 C ATOM 63 OD1 ASP A 5 -10.097 -3.876 1.953 1.00 0.00 O ATOM 64 OD2 ASP A 5 -11.831 -3.305 0.810 1.00 0.00 O ATOM 0 H ASP A 5 -12.329 -2.949 5.378 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.795 -3.110 3.854 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.621 -2.715 3.298 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.718 -1.357 2.657 1.00 0.00 H new ATOM 69 N CYS A 6 -10.619 -0.580 5.639 1.00 0.00 N ATOM 70 CA CYS A 6 -10.184 0.778 6.067 1.00 0.00 C ATOM 71 C CYS A 6 -9.593 0.703 7.475 1.00 0.00 C ATOM 72 O CYS A 6 -9.585 -0.339 8.100 1.00 0.00 O ATOM 73 CB CYS A 6 -11.387 1.722 6.072 1.00 0.00 C ATOM 74 SG CYS A 6 -11.220 2.924 4.729 1.00 0.00 S ATOM 0 H CYS A 6 -11.278 -1.042 6.265 1.00 0.00 H new ATOM 0 HA CYS A 6 -9.431 1.152 5.374 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -12.309 1.153 5.952 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -11.453 2.238 7.030 1.00 0.00 H new ATOM 79 N SER A 7 -9.096 1.799 7.981 1.00 0.00 N ATOM 80 CA SER A 7 -8.507 1.785 9.349 1.00 0.00 C ATOM 81 C SER A 7 -9.159 2.876 10.201 1.00 0.00 C ATOM 82 O SER A 7 -8.715 3.169 11.293 1.00 0.00 O ATOM 83 CB SER A 7 -7.002 2.039 9.259 1.00 0.00 C ATOM 84 OG SER A 7 -6.393 1.696 10.498 1.00 0.00 O ATOM 0 H SER A 7 -9.073 2.702 7.507 1.00 0.00 H new ATOM 0 HA SER A 7 -8.685 0.813 9.809 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.569 1.448 8.452 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.812 3.086 9.025 1.00 0.00 H new ATOM 0 HG SER A 7 -6.969 1.984 11.237 1.00 0.00 H new ATOM 90 N SER A 8 -10.209 3.482 9.714 1.00 0.00 N ATOM 91 CA SER A 8 -10.882 4.553 10.504 1.00 0.00 C ATOM 92 C SER A 8 -12.389 4.533 10.221 1.00 0.00 C ATOM 93 O SER A 8 -12.803 4.288 9.105 1.00 0.00 O ATOM 94 CB SER A 8 -10.305 5.913 10.110 1.00 0.00 C ATOM 95 OG SER A 8 -9.565 6.441 11.202 1.00 0.00 O ATOM 0 H SER A 8 -10.629 3.282 8.806 1.00 0.00 H new ATOM 0 HA SER A 8 -10.713 4.380 11.567 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.662 5.809 9.236 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.108 6.596 9.835 1.00 0.00 H new ATOM 0 HG SER A 8 -9.192 7.312 10.953 1.00 0.00 H new ATOM 101 N PRO A 9 -13.164 4.791 11.246 1.00 0.00 N ATOM 102 CA PRO A 9 -14.635 4.811 11.145 1.00 0.00 C ATOM 103 C PRO A 9 -15.113 6.133 10.536 1.00 0.00 C ATOM 104 O PRO A 9 -16.274 6.296 10.218 1.00 0.00 O ATOM 105 CB PRO A 9 -15.094 4.687 12.601 1.00 0.00 C ATOM 106 CG PRO A 9 -13.913 5.174 13.475 1.00 0.00 C ATOM 107 CD PRO A 9 -12.650 5.086 12.599 1.00 0.00 C ATOM 0 HA PRO A 9 -15.031 4.022 10.506 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.984 5.290 12.780 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -15.354 3.656 12.840 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.078 6.197 13.814 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.810 4.555 14.366 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.088 6.020 12.616 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.977 4.303 12.948 1.00 0.00 H new ATOM 115 N GLU A 10 -14.228 7.078 10.377 1.00 0.00 N ATOM 116 CA GLU A 10 -14.635 8.388 9.794 1.00 0.00 C ATOM 117 C GLU A 10 -14.428 8.365 8.277 1.00 0.00 C ATOM 118 O GLU A 10 -15.028 9.129 7.549 1.00 0.00 O ATOM 119 CB GLU A 10 -13.786 9.505 10.405 1.00 0.00 C ATOM 120 CG GLU A 10 -14.213 9.735 11.856 1.00 0.00 C ATOM 121 CD GLU A 10 -14.918 11.088 11.974 1.00 0.00 C ATOM 122 OE1 GLU A 10 -15.419 11.563 10.968 1.00 0.00 O ATOM 123 OE2 GLU A 10 -14.944 11.626 13.069 1.00 0.00 O ATOM 0 H GLU A 10 -13.242 7.000 10.625 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.688 8.567 10.013 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.730 9.238 10.364 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.905 10.423 9.830 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.880 8.936 12.181 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.342 9.709 12.511 1.00 0.00 H new ATOM 130 N ASN A 11 -13.583 7.495 7.797 1.00 0.00 N ATOM 131 CA ASN A 11 -13.339 7.428 6.328 1.00 0.00 C ATOM 132 C ASN A 11 -14.671 7.213 5.595 1.00 0.00 C ATOM 133 O ASN A 11 -15.352 6.236 5.837 1.00 0.00 O ATOM 134 CB ASN A 11 -12.400 6.258 6.024 1.00 0.00 C ATOM 135 CG ASN A 11 -11.672 6.519 4.704 1.00 0.00 C ATOM 136 OD1 ASN A 11 -12.199 7.169 3.824 1.00 0.00 O ATOM 137 ND2 ASN A 11 -10.473 6.035 4.529 1.00 0.00 N ATOM 0 H ASN A 11 -13.052 6.828 8.357 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.886 8.361 5.992 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.678 6.137 6.832 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.967 5.329 5.962 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.978 6.203 3.653 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.030 5.489 5.268 1.00 0.00 H new ATOM 144 N PRO A 12 -15.006 8.132 4.719 1.00 0.00 N ATOM 145 CA PRO A 12 -16.254 8.062 3.939 1.00 0.00 C ATOM 146 C PRO A 12 -16.105 7.074 2.778 1.00 0.00 C ATOM 147 O PRO A 12 -17.020 6.869 2.005 1.00 0.00 O ATOM 148 CB PRO A 12 -16.433 9.490 3.418 1.00 0.00 C ATOM 149 CG PRO A 12 -15.029 10.141 3.440 1.00 0.00 C ATOM 150 CD PRO A 12 -14.178 9.320 4.427 1.00 0.00 C ATOM 0 HA PRO A 12 -17.106 7.717 4.525 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -16.844 9.487 2.408 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -17.130 10.048 4.044 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -14.583 10.134 2.445 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -15.090 11.183 3.755 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -13.220 9.040 3.989 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.961 9.887 5.333 1.00 0.00 H new ATOM 158 N CYS A 13 -14.959 6.461 2.650 1.00 0.00 N ATOM 159 CA CYS A 13 -14.756 5.490 1.538 1.00 0.00 C ATOM 160 C CYS A 13 -14.980 4.068 2.052 1.00 0.00 C ATOM 161 O CYS A 13 -14.959 3.116 1.296 1.00 0.00 O ATOM 162 CB CYS A 13 -13.327 5.611 1.004 1.00 0.00 C ATOM 163 SG CYS A 13 -13.298 5.146 -0.744 1.00 0.00 S ATOM 0 H CYS A 13 -14.157 6.591 3.266 1.00 0.00 H new ATOM 0 HA CYS A 13 -15.465 5.707 0.739 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.967 6.632 1.126 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.658 4.967 1.574 1.00 0.00 H new ATOM 168 N CYS A 14 -15.186 3.909 3.330 1.00 0.00 N ATOM 169 CA CYS A 14 -15.401 2.541 3.877 1.00 0.00 C ATOM 170 C CYS A 14 -16.521 2.558 4.911 1.00 0.00 C ATOM 171 O CYS A 14 -16.635 3.460 5.716 1.00 0.00 O ATOM 172 CB CYS A 14 -14.109 2.046 4.526 1.00 0.00 C ATOM 173 SG CYS A 14 -12.706 2.440 3.450 1.00 0.00 S ATOM 0 H CYS A 14 -15.215 4.663 4.016 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.683 1.871 3.064 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.976 2.514 5.501 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.162 0.970 4.694 1.00 0.00 H new ATOM 178 N ASP A 15 -17.351 1.553 4.887 1.00 0.00 N ATOM 179 CA ASP A 15 -18.475 1.480 5.856 1.00 0.00 C ATOM 180 C ASP A 15 -17.925 1.206 7.255 1.00 0.00 C ATOM 181 O ASP A 15 -17.285 0.200 7.495 1.00 0.00 O ATOM 182 CB ASP A 15 -19.405 0.340 5.449 1.00 0.00 C ATOM 183 CG ASP A 15 -20.835 0.660 5.891 1.00 0.00 C ATOM 184 OD1 ASP A 15 -20.985 1.339 6.894 1.00 0.00 O ATOM 185 OD2 ASP A 15 -21.754 0.223 5.220 1.00 0.00 O ATOM 0 H ASP A 15 -17.297 0.774 4.231 1.00 0.00 H new ATOM 0 HA ASP A 15 -19.021 2.424 5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -19.371 0.198 4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -19.073 -0.593 5.904 1.00 0.00 H new ATOM 190 N ALA A 16 -18.169 2.086 8.185 1.00 0.00 N ATOM 191 CA ALA A 16 -17.661 1.868 9.566 1.00 0.00 C ATOM 192 C ALA A 16 -18.355 0.646 10.174 1.00 0.00 C ATOM 193 O ALA A 16 -17.792 -0.060 10.987 1.00 0.00 O ATOM 194 CB ALA A 16 -17.959 3.102 10.420 1.00 0.00 C ATOM 0 H ALA A 16 -18.699 2.947 8.048 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.585 1.699 9.537 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.587 2.943 11.432 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -17.467 3.972 9.986 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.035 3.271 10.452 1.00 0.00 H new ATOM 200 N ALA A 17 -19.575 0.393 9.787 1.00 0.00 N ATOM 201 CA ALA A 17 -20.307 -0.781 10.342 1.00 0.00 C ATOM 202 C ALA A 17 -19.554 -2.068 9.999 1.00 0.00 C ATOM 203 O ALA A 17 -19.184 -2.830 10.869 1.00 0.00 O ATOM 204 CB ALA A 17 -21.712 -0.835 9.740 1.00 0.00 C ATOM 0 H ALA A 17 -20.097 0.949 9.110 1.00 0.00 H new ATOM 0 HA ALA A 17 -20.378 -0.684 11.425 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -22.249 -1.693 10.145 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -22.250 0.080 9.989 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -21.640 -0.930 8.657 1.00 0.00 H new ATOM 210 N THR A 18 -19.324 -2.319 8.739 1.00 0.00 N ATOM 211 CA THR A 18 -18.598 -3.561 8.349 1.00 0.00 C ATOM 212 C THR A 18 -17.096 -3.274 8.264 1.00 0.00 C ATOM 213 O THR A 18 -16.295 -4.173 8.106 1.00 0.00 O ATOM 214 CB THR A 18 -19.105 -4.046 6.989 1.00 0.00 C ATOM 215 OG1 THR A 18 -18.282 -5.108 6.530 1.00 0.00 O ATOM 216 CG2 THR A 18 -19.061 -2.894 5.985 1.00 0.00 C ATOM 0 H THR A 18 -19.607 -1.719 7.964 1.00 0.00 H new ATOM 0 HA THR A 18 -18.776 -4.333 9.098 1.00 0.00 H new ATOM 0 HB THR A 18 -20.132 -4.398 7.089 1.00 0.00 H new ATOM 0 HG1 THR A 18 -17.407 -5.056 6.968 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.422 -3.241 5.017 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.694 -2.080 6.338 1.00 0.00 H new ATOM 0 HG23 THR A 18 -18.035 -2.539 5.883 1.00 0.00 H new ATOM 224 N CYS A 19 -16.708 -2.031 8.374 1.00 0.00 N ATOM 225 CA CYS A 19 -15.256 -1.694 8.308 1.00 0.00 C ATOM 226 C CYS A 19 -14.705 -2.044 6.923 1.00 0.00 C ATOM 227 O CYS A 19 -13.566 -2.434 6.779 1.00 0.00 O ATOM 228 CB CYS A 19 -14.506 -2.495 9.377 1.00 0.00 C ATOM 229 SG CYS A 19 -12.750 -2.055 9.356 1.00 0.00 S ATOM 0 H CYS A 19 -17.333 -1.236 8.506 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.121 -0.627 8.485 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -14.929 -2.291 10.361 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -14.625 -3.563 9.194 1.00 0.00 H new ATOM 234 N LYS A 20 -15.499 -1.908 5.899 1.00 0.00 N ATOM 235 CA LYS A 20 -15.002 -2.241 4.533 1.00 0.00 C ATOM 236 C LYS A 20 -15.470 -1.179 3.537 1.00 0.00 C ATOM 237 O LYS A 20 -16.351 -0.391 3.819 1.00 0.00 O ATOM 238 CB LYS A 20 -15.548 -3.605 4.114 1.00 0.00 C ATOM 239 CG LYS A 20 -14.620 -4.705 4.626 1.00 0.00 C ATOM 240 CD LYS A 20 -13.637 -5.098 3.522 1.00 0.00 C ATOM 241 CE LYS A 20 -14.006 -6.480 2.977 1.00 0.00 C ATOM 242 NZ LYS A 20 -13.952 -6.457 1.488 1.00 0.00 N ATOM 0 H LYS A 20 -16.465 -1.583 5.946 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.912 -2.268 4.543 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.552 -3.746 4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.628 -3.658 3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.077 -4.357 5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.203 -5.573 4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.661 -4.361 2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.620 -5.110 3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.318 -7.231 3.365 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.005 -6.760 3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.203 -7.396 1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.625 -5.751 1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.991 -6.208 1.179 1.00 0.00 H new ATOM 256 N LEU A 21 -14.888 -1.154 2.367 1.00 0.00 N ATOM 257 CA LEU A 21 -15.303 -0.145 1.355 1.00 0.00 C ATOM 258 C LEU A 21 -16.812 -0.234 1.144 1.00 0.00 C ATOM 259 O LEU A 21 -17.358 -1.293 0.903 1.00 0.00 O ATOM 260 CB LEU A 21 -14.580 -0.408 0.037 1.00 0.00 C ATOM 261 CG LEU A 21 -13.182 0.199 0.109 1.00 0.00 C ATOM 262 CD1 LEU A 21 -12.163 -0.828 -0.367 1.00 0.00 C ATOM 263 CD2 LEU A 21 -13.117 1.439 -0.785 1.00 0.00 C ATOM 0 H LEU A 21 -14.146 -1.788 2.071 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.044 0.853 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.516 -1.480 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.138 0.028 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.959 0.484 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.163 -0.398 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.211 -1.711 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.385 -1.111 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.118 1.873 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.338 1.157 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.849 2.172 -0.445 1.00 0.00 H new ATOM 275 N ARG A 22 -17.490 0.870 1.253 1.00 0.00 N ATOM 276 CA ARG A 22 -18.973 0.856 1.080 1.00 0.00 C ATOM 277 C ARG A 22 -19.345 1.031 -0.403 1.00 0.00 C ATOM 278 O ARG A 22 -20.144 0.275 -0.921 1.00 0.00 O ATOM 279 CB ARG A 22 -19.589 1.976 1.941 1.00 0.00 C ATOM 280 CG ARG A 22 -20.896 2.489 1.321 1.00 0.00 C ATOM 281 CD ARG A 22 -21.390 3.706 2.105 1.00 0.00 C ATOM 282 NE ARG A 22 -20.340 4.765 2.089 1.00 0.00 N ATOM 283 CZ ARG A 22 -20.629 5.977 2.475 1.00 0.00 C ATOM 284 NH1 ARG A 22 -21.516 6.170 3.413 1.00 0.00 N ATOM 285 NH2 ARG A 22 -20.029 6.996 1.923 1.00 0.00 N ATOM 0 H ARG A 22 -17.085 1.784 1.454 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.371 -0.105 1.407 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -19.781 1.603 2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -18.880 2.798 2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -20.735 2.757 0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -21.651 1.703 1.336 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -22.312 4.086 1.665 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -21.620 3.422 3.132 1.00 0.00 H new ATOM 0 HE ARG A 22 -19.395 4.541 1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -21.984 5.373 3.845 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -21.742 7.118 3.714 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.335 6.844 1.191 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -20.254 7.944 2.224 1.00 0.00 H new ATOM 299 N PRO A 23 -18.776 2.023 -1.042 1.00 0.00 N ATOM 300 CA PRO A 23 -19.058 2.312 -2.459 1.00 0.00 C ATOM 301 C PRO A 23 -18.279 1.360 -3.371 1.00 0.00 C ATOM 302 O PRO A 23 -17.803 0.326 -2.946 1.00 0.00 O ATOM 303 CB PRO A 23 -18.574 3.753 -2.635 1.00 0.00 C ATOM 304 CG PRO A 23 -17.547 4.009 -1.507 1.00 0.00 C ATOM 305 CD PRO A 23 -17.803 2.946 -0.423 1.00 0.00 C ATOM 0 HA PRO A 23 -20.109 2.184 -2.719 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -18.118 3.893 -3.615 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -19.407 4.453 -2.569 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -16.528 3.935 -1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -17.663 5.013 -1.099 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -16.884 2.429 -0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -18.202 3.394 0.487 1.00 0.00 H new ATOM 313 N GLY A 24 -18.147 1.704 -4.623 1.00 0.00 N ATOM 314 CA GLY A 24 -17.400 0.823 -5.564 1.00 0.00 C ATOM 315 C GLY A 24 -15.910 1.163 -5.506 1.00 0.00 C ATOM 316 O GLY A 24 -15.147 0.802 -6.380 1.00 0.00 O ATOM 0 H GLY A 24 -18.524 2.557 -5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.556 -0.223 -5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.775 0.956 -6.579 1.00 0.00 H new ATOM 320 N ALA A 25 -15.487 1.854 -4.481 1.00 0.00 N ATOM 321 CA ALA A 25 -14.047 2.212 -4.368 1.00 0.00 C ATOM 322 C ALA A 25 -13.227 0.939 -4.149 1.00 0.00 C ATOM 323 O ALA A 25 -13.667 0.009 -3.501 1.00 0.00 O ATOM 324 CB ALA A 25 -13.855 3.160 -3.183 1.00 0.00 C ATOM 0 H ALA A 25 -16.078 2.185 -3.718 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.715 2.704 -5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.801 3.425 -3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.445 4.063 -3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.182 2.668 -2.267 1.00 0.00 H new ATOM 330 N GLN A 26 -12.043 0.883 -4.692 1.00 0.00 N ATOM 331 CA GLN A 26 -11.201 -0.335 -4.526 1.00 0.00 C ATOM 332 C GLN A 26 -10.330 -0.203 -3.277 1.00 0.00 C ATOM 333 O GLN A 26 -9.632 -1.122 -2.898 1.00 0.00 O ATOM 334 CB GLN A 26 -10.299 -0.494 -5.749 1.00 0.00 C ATOM 335 CG GLN A 26 -10.665 -1.780 -6.485 1.00 0.00 C ATOM 336 CD GLN A 26 -10.403 -1.600 -7.981 1.00 0.00 C ATOM 337 OE1 GLN A 26 -9.759 -0.653 -8.387 1.00 0.00 O ATOM 338 NE2 GLN A 26 -10.879 -2.475 -8.826 1.00 0.00 N ATOM 0 H GLN A 26 -11.621 1.629 -5.245 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.849 -1.206 -4.423 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.413 0.363 -6.413 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.253 -0.522 -5.442 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.077 -2.613 -6.099 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.714 -2.024 -6.315 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.420 -3.270 -8.486 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.710 -2.363 -9.826 1.00 0.00 H new ATOM 347 N CYS A 27 -10.352 0.933 -2.641 1.00 0.00 N ATOM 348 CA CYS A 27 -9.509 1.115 -1.427 1.00 0.00 C ATOM 349 C CYS A 27 -9.863 2.437 -0.746 1.00 0.00 C ATOM 350 O CYS A 27 -10.197 3.408 -1.393 1.00 0.00 O ATOM 351 CB CYS A 27 -8.040 1.130 -1.843 1.00 0.00 C ATOM 352 SG CYS A 27 -7.772 2.468 -3.031 1.00 0.00 S ATOM 0 H CYS A 27 -10.915 1.741 -2.907 1.00 0.00 H new ATOM 0 HA CYS A 27 -9.688 0.297 -0.729 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -7.404 1.270 -0.969 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.765 0.173 -2.287 1.00 0.00 H new ATOM 357 N GLY A 28 -9.790 2.485 0.556 1.00 0.00 N ATOM 358 CA GLY A 28 -10.117 3.747 1.276 1.00 0.00 C ATOM 359 C GLY A 28 -8.822 4.451 1.684 1.00 0.00 C ATOM 360 O GLY A 28 -8.806 5.638 1.944 1.00 0.00 O ATOM 0 H GLY A 28 -9.518 1.704 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.712 4.399 0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.719 3.529 2.158 1.00 0.00 H new ATOM 364 N GLU A 29 -7.736 3.731 1.744 1.00 0.00 N ATOM 365 CA GLU A 29 -6.448 4.367 2.138 1.00 0.00 C ATOM 366 C GLU A 29 -5.285 3.423 1.818 1.00 0.00 C ATOM 367 O GLU A 29 -5.456 2.226 1.712 1.00 0.00 O ATOM 368 CB GLU A 29 -6.475 4.659 3.641 1.00 0.00 C ATOM 369 CG GLU A 29 -6.298 3.354 4.423 1.00 0.00 C ATOM 370 CD GLU A 29 -4.912 3.328 5.072 1.00 0.00 C ATOM 371 OE1 GLU A 29 -4.432 4.387 5.440 1.00 0.00 O ATOM 372 OE2 GLU A 29 -4.356 2.249 5.188 1.00 0.00 O ATOM 0 H GLU A 29 -7.685 2.733 1.538 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.314 5.296 1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.681 5.360 3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.419 5.132 3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.070 3.269 5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.414 2.500 3.756 1.00 0.00 H new ATOM 379 N GLY A 30 -4.101 3.955 1.663 1.00 0.00 N ATOM 380 CA GLY A 30 -2.929 3.086 1.352 1.00 0.00 C ATOM 381 C GLY A 30 -1.856 3.903 0.628 1.00 0.00 C ATOM 382 O GLY A 30 -2.138 4.919 0.022 1.00 0.00 O ATOM 0 H GLY A 30 -3.896 4.951 1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.521 2.667 2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.241 2.247 0.730 1.00 0.00 H new ATOM 386 N LEU A 31 -0.627 3.465 0.685 1.00 0.00 N ATOM 387 CA LEU A 31 0.468 4.212 0.000 1.00 0.00 C ATOM 388 C LEU A 31 0.237 4.186 -1.512 1.00 0.00 C ATOM 389 O LEU A 31 0.761 5.004 -2.243 1.00 0.00 O ATOM 390 CB LEU A 31 1.811 3.549 0.320 1.00 0.00 C ATOM 391 CG LEU A 31 2.286 4.000 1.702 1.00 0.00 C ATOM 392 CD1 LEU A 31 2.383 2.789 2.632 1.00 0.00 C ATOM 393 CD2 LEU A 31 3.662 4.660 1.580 1.00 0.00 C ATOM 0 H LEU A 31 -0.333 2.621 1.177 1.00 0.00 H new ATOM 0 HA LEU A 31 0.477 5.245 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.708 2.464 0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.550 3.816 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 31 1.574 4.716 2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.722 3.112 3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.403 2.320 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.093 2.071 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.000 4.981 2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.373 3.945 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.593 5.525 0.920 1.00 0.00 H new ATOM 405 N CYS A 32 -0.539 3.252 -1.987 1.00 0.00 N ATOM 406 CA CYS A 32 -0.800 3.171 -3.451 1.00 0.00 C ATOM 407 C CYS A 32 -2.294 3.360 -3.719 1.00 0.00 C ATOM 408 O CYS A 32 -2.777 3.095 -4.802 1.00 0.00 O ATOM 409 CB CYS A 32 -0.361 1.800 -3.971 1.00 0.00 C ATOM 410 SG CYS A 32 1.267 1.392 -3.295 1.00 0.00 S ATOM 0 H CYS A 32 -1.004 2.540 -1.424 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.239 3.954 -3.961 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.087 1.040 -3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.323 1.807 -5.060 1.00 0.00 H new ATOM 415 N CYS A 33 -3.033 3.817 -2.745 1.00 0.00 N ATOM 416 CA CYS A 33 -4.495 4.019 -2.956 1.00 0.00 C ATOM 417 C CYS A 33 -4.779 5.505 -3.184 1.00 0.00 C ATOM 418 O CYS A 33 -4.576 6.328 -2.313 1.00 0.00 O ATOM 419 CB CYS A 33 -5.269 3.532 -1.728 1.00 0.00 C ATOM 420 SG CYS A 33 -7.014 3.967 -1.912 1.00 0.00 S ATOM 0 H CYS A 33 -2.689 4.059 -1.815 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.813 3.450 -3.829 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -5.161 2.453 -1.620 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.862 3.985 -0.824 1.00 0.00 H new ATOM 425 N GLU A 34 -5.250 5.853 -4.352 1.00 0.00 N ATOM 426 CA GLU A 34 -5.550 7.284 -4.640 1.00 0.00 C ATOM 427 C GLU A 34 -6.958 7.398 -5.227 1.00 0.00 C ATOM 428 O GLU A 34 -7.375 6.584 -6.028 1.00 0.00 O ATOM 429 CB GLU A 34 -4.530 7.824 -5.646 1.00 0.00 C ATOM 430 CG GLU A 34 -3.116 7.604 -5.102 1.00 0.00 C ATOM 431 CD GLU A 34 -2.097 7.827 -6.222 1.00 0.00 C ATOM 432 OE1 GLU A 34 -2.341 7.357 -7.320 1.00 0.00 O ATOM 433 OE2 GLU A 34 -1.090 8.463 -5.960 1.00 0.00 O ATOM 0 H GLU A 34 -5.440 5.207 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.492 7.863 -3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.646 7.319 -6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.703 8.886 -5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.922 8.290 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.021 6.593 -4.705 1.00 0.00 H new ATOM 440 N GLN A 35 -7.699 8.396 -4.831 1.00 0.00 N ATOM 441 CA GLN A 35 -9.083 8.557 -5.362 1.00 0.00 C ATOM 442 C GLN A 35 -9.915 7.332 -4.982 1.00 0.00 C ATOM 443 O GLN A 35 -10.858 6.973 -5.659 1.00 0.00 O ATOM 444 CB GLN A 35 -9.038 8.695 -6.884 1.00 0.00 C ATOM 445 CG GLN A 35 -9.832 9.933 -7.305 1.00 0.00 C ATOM 446 CD GLN A 35 -10.227 9.813 -8.778 1.00 0.00 C ATOM 447 OE1 GLN A 35 -10.479 8.729 -9.265 1.00 0.00 O ATOM 448 NE2 GLN A 35 -10.290 10.889 -9.514 1.00 0.00 N ATOM 0 H GLN A 35 -7.406 9.108 -4.162 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.535 9.452 -4.935 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.005 8.779 -7.222 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.456 7.804 -7.354 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.724 10.033 -6.686 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.234 10.831 -7.150 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.079 11.799 -9.106 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.551 10.820 -10.498 1.00 0.00 H new ATOM 457 N CYS A 36 -9.570 6.688 -3.901 1.00 0.00 N ATOM 458 CA CYS A 36 -10.336 5.486 -3.470 1.00 0.00 C ATOM 459 C CYS A 36 -10.227 4.394 -4.536 1.00 0.00 C ATOM 460 O CYS A 36 -11.175 3.683 -4.806 1.00 0.00 O ATOM 461 CB CYS A 36 -11.808 5.857 -3.274 1.00 0.00 C ATOM 462 SG CYS A 36 -12.054 6.490 -1.595 1.00 0.00 S ATOM 0 H CYS A 36 -8.789 6.943 -3.297 1.00 0.00 H new ATOM 0 HA CYS A 36 -9.924 5.118 -2.530 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -12.105 6.609 -4.005 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -12.439 4.984 -3.441 1.00 0.00 H new ATOM 467 N LYS A 37 -9.082 4.253 -5.144 1.00 0.00 N ATOM 468 CA LYS A 37 -8.922 3.204 -6.190 1.00 0.00 C ATOM 469 C LYS A 37 -7.511 2.621 -6.120 1.00 0.00 C ATOM 470 O LYS A 37 -6.578 3.275 -5.697 1.00 0.00 O ATOM 471 CB LYS A 37 -9.148 3.823 -7.570 1.00 0.00 C ATOM 472 CG LYS A 37 -10.043 2.904 -8.403 1.00 0.00 C ATOM 473 CD LYS A 37 -10.333 3.561 -9.753 1.00 0.00 C ATOM 474 CE LYS A 37 -11.657 3.027 -10.306 1.00 0.00 C ATOM 475 NZ LYS A 37 -12.487 4.166 -10.790 1.00 0.00 N ATOM 0 H LYS A 37 -8.252 4.817 -4.963 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.650 2.411 -6.021 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.611 4.804 -7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.193 3.972 -8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.555 1.941 -8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.976 2.709 -7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.384 4.644 -9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.524 3.352 -10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.468 2.328 -11.121 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.191 2.476 -9.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.387 3.805 -11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.678 4.816 -10.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.977 4.673 -11.541 1.00 0.00 H new ATOM 489 N PHE A 38 -7.344 1.394 -6.535 1.00 0.00 N ATOM 490 CA PHE A 38 -5.990 0.774 -6.497 1.00 0.00 C ATOM 491 C PHE A 38 -5.090 1.466 -7.520 1.00 0.00 C ATOM 492 O PHE A 38 -5.353 1.441 -8.706 1.00 0.00 O ATOM 493 CB PHE A 38 -6.094 -0.713 -6.846 1.00 0.00 C ATOM 494 CG PHE A 38 -6.535 -1.495 -5.633 1.00 0.00 C ATOM 495 CD1 PHE A 38 -5.777 -1.454 -4.457 1.00 0.00 C ATOM 496 CD2 PHE A 38 -7.702 -2.267 -5.686 1.00 0.00 C ATOM 497 CE1 PHE A 38 -6.184 -2.184 -3.334 1.00 0.00 C ATOM 498 CE2 PHE A 38 -8.110 -2.998 -4.564 1.00 0.00 C ATOM 499 CZ PHE A 38 -7.351 -2.956 -3.388 1.00 0.00 C ATOM 0 H PHE A 38 -8.086 0.796 -6.898 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.570 0.885 -5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.805 -0.856 -7.660 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.130 -1.082 -7.197 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.877 -0.858 -4.416 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.288 -2.298 -6.593 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.599 -2.152 -2.427 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.010 -3.594 -4.605 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.666 -3.519 -2.522 1.00 0.00 H new ATOM 509 N SER A 39 -4.029 2.081 -7.077 1.00 0.00 N ATOM 510 CA SER A 39 -3.117 2.764 -8.036 1.00 0.00 C ATOM 511 C SER A 39 -2.742 1.782 -9.145 1.00 0.00 C ATOM 512 O SER A 39 -3.209 0.662 -9.175 1.00 0.00 O ATOM 513 CB SER A 39 -1.851 3.217 -7.308 1.00 0.00 C ATOM 514 OG SER A 39 -0.890 3.654 -8.261 1.00 0.00 O ATOM 0 H SER A 39 -3.755 2.140 -6.096 1.00 0.00 H new ATOM 0 HA SER A 39 -3.616 3.635 -8.462 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.086 4.025 -6.615 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.445 2.397 -6.716 1.00 0.00 H new ATOM 0 HG SER A 39 -0.785 4.626 -8.198 1.00 0.00 H new ATOM 520 N ARG A 40 -1.901 2.183 -10.056 1.00 0.00 N ATOM 521 CA ARG A 40 -1.502 1.256 -11.150 1.00 0.00 C ATOM 522 C ARG A 40 -0.069 0.781 -10.909 1.00 0.00 C ATOM 523 O ARG A 40 0.735 1.479 -10.325 1.00 0.00 O ATOM 524 CB ARG A 40 -1.584 1.977 -12.496 1.00 0.00 C ATOM 525 CG ARG A 40 -1.533 0.948 -13.628 1.00 0.00 C ATOM 526 CD ARG A 40 -2.769 1.103 -14.515 1.00 0.00 C ATOM 527 NE ARG A 40 -3.857 0.214 -14.015 1.00 0.00 N ATOM 528 CZ ARG A 40 -5.105 0.578 -14.134 1.00 0.00 C ATOM 529 NH1 ARG A 40 -5.495 1.235 -15.192 1.00 0.00 N ATOM 530 NH2 ARG A 40 -5.964 0.281 -13.196 1.00 0.00 N ATOM 0 H ARG A 40 -1.474 3.109 -10.091 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.175 0.399 -11.164 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.506 2.555 -12.556 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.759 2.683 -12.594 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.628 1.087 -14.220 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.492 -0.060 -13.216 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.103 2.141 -14.513 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.523 0.850 -15.546 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.626 -0.679 -13.580 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.825 1.464 -15.926 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.470 1.519 -15.285 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.660 -0.235 -12.371 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.939 0.565 -13.289 1.00 0.00 H new ATOM 544 N ALA A 41 0.257 -0.400 -11.352 1.00 0.00 N ATOM 545 CA ALA A 41 1.640 -0.913 -11.143 1.00 0.00 C ATOM 546 C ALA A 41 2.643 0.166 -11.543 1.00 0.00 C ATOM 547 O ALA A 41 2.296 1.144 -12.177 1.00 0.00 O ATOM 548 CB ALA A 41 1.860 -2.164 -11.996 1.00 0.00 C ATOM 0 H ALA A 41 -0.372 -1.031 -11.848 1.00 0.00 H new ATOM 0 HA ALA A 41 1.779 -1.169 -10.093 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.872 -2.537 -11.841 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.142 -2.932 -11.707 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.722 -1.916 -13.048 1.00 0.00 H new ATOM 554 N GLY A 42 3.882 0.004 -11.174 1.00 0.00 N ATOM 555 CA GLY A 42 4.896 1.031 -11.530 1.00 0.00 C ATOM 556 C GLY A 42 4.644 2.289 -10.698 1.00 0.00 C ATOM 557 O GLY A 42 5.026 3.379 -11.073 1.00 0.00 O ATOM 0 H GLY A 42 4.235 -0.792 -10.643 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.900 0.650 -11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.838 1.265 -12.593 1.00 0.00 H new ATOM 561 N LYS A 43 3.997 2.149 -9.570 1.00 0.00 N ATOM 562 CA LYS A 43 3.718 3.345 -8.722 1.00 0.00 C ATOM 563 C LYS A 43 4.711 3.395 -7.558 1.00 0.00 C ATOM 564 O LYS A 43 4.722 2.534 -6.702 1.00 0.00 O ATOM 565 CB LYS A 43 2.293 3.263 -8.173 1.00 0.00 C ATOM 566 CG LYS A 43 2.064 4.400 -7.176 1.00 0.00 C ATOM 567 CD LYS A 43 2.435 5.732 -7.830 1.00 0.00 C ATOM 568 CE LYS A 43 1.357 6.772 -7.517 1.00 0.00 C ATOM 569 NZ LYS A 43 2.001 8.082 -7.225 1.00 0.00 N ATOM 0 H LYS A 43 3.652 1.263 -9.201 1.00 0.00 H new ATOM 0 HA LYS A 43 3.823 4.246 -9.326 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.573 3.330 -8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.134 2.301 -7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.021 4.416 -6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.667 4.241 -6.282 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.402 6.073 -7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.531 5.606 -8.908 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.675 6.870 -8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.762 6.449 -6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.269 8.789 -7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.635 7.983 -6.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.550 8.391 -8.052 1.00 0.00 H new ATOM 583 N ILE A 44 5.548 4.396 -7.522 1.00 0.00 N ATOM 584 CA ILE A 44 6.543 4.501 -6.420 1.00 0.00 C ATOM 585 C ILE A 44 5.818 4.753 -5.089 1.00 0.00 C ATOM 586 O ILE A 44 5.111 5.729 -4.931 1.00 0.00 O ATOM 587 CB ILE A 44 7.529 5.643 -6.740 1.00 0.00 C ATOM 588 CG1 ILE A 44 8.931 5.247 -6.274 1.00 0.00 C ATOM 589 CG2 ILE A 44 7.110 6.945 -6.044 1.00 0.00 C ATOM 590 CD1 ILE A 44 8.935 5.065 -4.756 1.00 0.00 C ATOM 0 H ILE A 44 5.585 5.147 -8.211 1.00 0.00 H new ATOM 0 HA ILE A 44 7.102 3.570 -6.329 1.00 0.00 H new ATOM 0 HB ILE A 44 7.524 5.811 -7.817 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.240 4.322 -6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.650 6.014 -6.560 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.823 7.733 -6.287 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.117 7.236 -6.385 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.093 6.792 -4.965 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.935 4.783 -4.426 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.645 6.000 -4.277 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.228 4.282 -4.482 1.00 0.00 H new ATOM 602 N CYS A 45 5.992 3.881 -4.134 1.00 0.00 N ATOM 603 CA CYS A 45 5.319 4.071 -2.816 1.00 0.00 C ATOM 604 C CYS A 45 6.356 4.466 -1.768 1.00 0.00 C ATOM 605 O CYS A 45 6.038 5.062 -0.757 1.00 0.00 O ATOM 606 CB CYS A 45 4.645 2.769 -2.389 1.00 0.00 C ATOM 607 SG CYS A 45 5.768 1.377 -2.669 1.00 0.00 S ATOM 0 H CYS A 45 6.571 3.045 -4.209 1.00 0.00 H new ATOM 0 HA CYS A 45 4.569 4.856 -2.906 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.370 2.820 -1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.723 2.624 -2.953 1.00 0.00 H new ATOM 612 N ARG A 46 7.595 4.138 -1.999 1.00 0.00 N ATOM 613 CA ARG A 46 8.654 4.494 -1.016 1.00 0.00 C ATOM 614 C ARG A 46 9.990 4.655 -1.740 1.00 0.00 C ATOM 615 O ARG A 46 10.405 3.801 -2.498 1.00 0.00 O ATOM 616 CB ARG A 46 8.769 3.388 0.034 1.00 0.00 C ATOM 617 CG ARG A 46 7.994 3.795 1.288 1.00 0.00 C ATOM 618 CD ARG A 46 7.348 2.557 1.914 1.00 0.00 C ATOM 619 NE ARG A 46 6.422 2.978 3.002 1.00 0.00 N ATOM 620 CZ ARG A 46 6.592 2.525 4.214 1.00 0.00 C ATOM 621 NH1 ARG A 46 7.103 1.339 4.398 1.00 0.00 N ATOM 622 NH2 ARG A 46 6.251 3.257 5.239 1.00 0.00 N ATOM 0 H ARG A 46 7.921 3.638 -2.827 1.00 0.00 H new ATOM 0 HA ARG A 46 8.394 5.432 -0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.375 2.452 -0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.816 3.213 0.281 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.664 4.270 2.004 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.229 4.528 1.033 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.803 1.995 1.155 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.116 1.894 2.312 1.00 0.00 H new ATOM 0 HE ARG A 46 5.656 3.620 2.800 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.369 0.768 3.596 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.237 0.983 5.344 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.851 4.184 5.093 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.384 2.902 6.186 1.00 0.00 H new ATOM 636 N ILE A 47 10.665 5.745 -1.512 1.00 0.00 N ATOM 637 CA ILE A 47 11.974 5.966 -2.185 1.00 0.00 C ATOM 638 C ILE A 47 13.070 6.107 -1.127 1.00 0.00 C ATOM 639 O ILE A 47 13.420 7.206 -0.743 1.00 0.00 O ATOM 640 CB ILE A 47 11.902 7.244 -3.023 1.00 0.00 C ATOM 641 CG1 ILE A 47 13.246 7.474 -3.719 1.00 0.00 C ATOM 642 CG2 ILE A 47 11.588 8.433 -2.113 1.00 0.00 C ATOM 643 CD1 ILE A 47 13.369 6.532 -4.917 1.00 0.00 C ATOM 0 H ILE A 47 10.366 6.494 -0.887 1.00 0.00 H new ATOM 0 HA ILE A 47 12.202 5.120 -2.833 1.00 0.00 H new ATOM 0 HB ILE A 47 11.117 7.144 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 47 13.324 8.510 -4.048 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.064 7.299 -3.020 1.00 0.00 H new ATOM 0 HG21 ILE A 47 11.537 9.344 -2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.631 8.269 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.372 8.534 -1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 47 14.326 6.696 -5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 47 13.310 5.499 -4.575 1.00 0.00 H new ATOM 0 HD13 ILE A 47 12.559 6.729 -5.619 1.00 0.00 H new ATOM 655 N PRO A 48 13.580 4.986 -0.686 1.00 0.00 N ATOM 656 CA PRO A 48 14.642 4.945 0.333 1.00 0.00 C ATOM 657 C PRO A 48 15.996 5.293 -0.294 1.00 0.00 C ATOM 658 O PRO A 48 16.607 4.487 -0.967 1.00 0.00 O ATOM 659 CB PRO A 48 14.614 3.495 0.823 1.00 0.00 C ATOM 660 CG PRO A 48 13.952 2.664 -0.303 1.00 0.00 C ATOM 661 CD PRO A 48 13.147 3.655 -1.165 1.00 0.00 C ATOM 0 HA PRO A 48 14.493 5.661 1.141 1.00 0.00 H new ATOM 0 HB2 PRO A 48 15.622 3.136 1.029 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.049 3.410 1.751 1.00 0.00 H new ATOM 0 HG2 PRO A 48 14.706 2.153 -0.902 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.301 1.895 0.114 1.00 0.00 H new ATOM 0 HD2 PRO A 48 13.360 3.525 -2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.074 3.515 -1.036 1.00 0.00 H new ATOM 669 N ARG A 49 16.465 6.490 -0.077 1.00 0.00 N ATOM 670 CA ARG A 49 17.774 6.897 -0.658 1.00 0.00 C ATOM 671 C ARG A 49 18.904 6.158 0.062 1.00 0.00 C ATOM 672 O ARG A 49 18.876 5.981 1.263 1.00 0.00 O ATOM 673 CB ARG A 49 17.961 8.406 -0.486 1.00 0.00 C ATOM 674 CG ARG A 49 17.622 8.803 0.952 1.00 0.00 C ATOM 675 CD ARG A 49 16.284 9.542 0.976 1.00 0.00 C ATOM 676 NE ARG A 49 16.477 10.902 1.556 1.00 0.00 N ATOM 677 CZ ARG A 49 16.766 11.907 0.776 1.00 0.00 C ATOM 678 NH1 ARG A 49 15.864 12.382 -0.038 1.00 0.00 N ATOM 679 NH2 ARG A 49 17.956 12.441 0.812 1.00 0.00 N ATOM 0 H ARG A 49 15.997 7.205 0.479 1.00 0.00 H new ATOM 0 HA ARG A 49 17.794 6.647 -1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 49 18.989 8.684 -0.718 1.00 0.00 H new ATOM 0 HB3 ARG A 49 17.320 8.944 -1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 49 17.571 7.916 1.583 1.00 0.00 H new ATOM 0 HG3 ARG A 49 18.408 9.439 1.360 1.00 0.00 H new ATOM 0 HD2 ARG A 49 15.881 9.620 -0.034 1.00 0.00 H new ATOM 0 HD3 ARG A 49 15.558 8.983 1.567 1.00 0.00 H new ATOM 0 HE ARG A 49 16.383 11.046 2.561 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.932 11.968 -0.065 1.00 0.00 H new ATOM 0 HH12 ARG A 49 16.090 13.168 -0.648 1.00 0.00 H new ATOM 0 HH21 ARG A 49 18.661 12.073 1.450 1.00 0.00 H new ATOM 0 HH22 ARG A 49 18.181 13.227 0.202 1.00 0.00 H new ATOM 693 N GLY A 50 19.897 5.725 -0.664 1.00 0.00 N ATOM 694 CA GLY A 50 21.026 4.996 -0.024 1.00 0.00 C ATOM 695 C GLY A 50 21.258 3.674 -0.757 1.00 0.00 C ATOM 696 O GLY A 50 21.091 2.607 -0.201 1.00 0.00 O ATOM 0 H GLY A 50 19.975 5.845 -1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 50 21.930 5.605 -0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.803 4.808 1.026 1.00 0.00 H new ATOM 700 N GLU A 51 21.639 3.735 -2.004 1.00 0.00 N ATOM 701 CA GLU A 51 21.879 2.481 -2.771 1.00 0.00 C ATOM 702 C GLU A 51 20.616 1.618 -2.747 1.00 0.00 C ATOM 703 O GLU A 51 20.674 0.413 -2.891 1.00 0.00 O ATOM 704 CB GLU A 51 23.036 1.709 -2.134 1.00 0.00 C ATOM 705 CG GLU A 51 24.347 2.097 -2.818 1.00 0.00 C ATOM 706 CD GLU A 51 24.870 0.911 -3.630 1.00 0.00 C ATOM 707 OE1 GLU A 51 24.305 0.640 -4.677 1.00 0.00 O ATOM 708 OE2 GLU A 51 25.827 0.294 -3.191 1.00 0.00 O ATOM 0 H GLU A 51 21.794 4.599 -2.524 1.00 0.00 H new ATOM 0 HA GLU A 51 22.130 2.728 -3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 51 23.091 1.929 -1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 51 22.867 0.636 -2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.189 2.956 -3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 51 25.084 2.394 -2.072 1.00 0.00 H new ATOM 715 N MET A 52 19.475 2.223 -2.563 1.00 0.00 N ATOM 716 CA MET A 52 18.212 1.432 -2.527 1.00 0.00 C ATOM 717 C MET A 52 17.438 1.638 -3.834 1.00 0.00 C ATOM 718 O MET A 52 17.537 2.680 -4.451 1.00 0.00 O ATOM 719 CB MET A 52 17.356 1.898 -1.349 1.00 0.00 C ATOM 720 CG MET A 52 17.176 0.742 -0.362 1.00 0.00 C ATOM 721 SD MET A 52 17.521 1.323 1.317 1.00 0.00 S ATOM 722 CE MET A 52 16.676 -0.015 2.195 1.00 0.00 C ATOM 0 H MET A 52 19.362 3.229 -2.436 1.00 0.00 H new ATOM 0 HA MET A 52 18.449 0.374 -2.411 1.00 0.00 H new ATOM 0 HB2 MET A 52 17.831 2.744 -0.852 1.00 0.00 H new ATOM 0 HB3 MET A 52 16.385 2.242 -1.705 1.00 0.00 H new ATOM 0 HG2 MET A 52 16.159 0.353 -0.422 1.00 0.00 H new ATOM 0 HG3 MET A 52 17.846 -0.078 -0.620 1.00 0.00 H new ATOM 0 HE1 MET A 52 16.763 0.143 3.270 1.00 0.00 H new ATOM 0 HE2 MET A 52 15.623 -0.026 1.914 1.00 0.00 H new ATOM 0 HE3 MET A 52 17.132 -0.969 1.930 1.00 0.00 H new ATOM 732 N PRO A 53 16.687 0.636 -4.213 1.00 0.00 N ATOM 733 CA PRO A 53 15.876 0.672 -5.443 1.00 0.00 C ATOM 734 C PRO A 53 14.608 1.504 -5.224 1.00 0.00 C ATOM 735 O PRO A 53 14.520 2.286 -4.298 1.00 0.00 O ATOM 736 CB PRO A 53 15.527 -0.798 -5.688 1.00 0.00 C ATOM 737 CG PRO A 53 15.659 -1.511 -4.321 1.00 0.00 C ATOM 738 CD PRO A 53 16.574 -0.628 -3.452 1.00 0.00 C ATOM 0 HA PRO A 53 16.397 1.127 -6.285 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.515 -0.897 -6.082 1.00 0.00 H new ATOM 0 HB3 PRO A 53 16.200 -1.240 -6.423 1.00 0.00 H new ATOM 0 HG2 PRO A 53 14.683 -1.636 -3.853 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.084 -2.507 -4.443 1.00 0.00 H new ATOM 0 HD2 PRO A 53 16.145 -0.461 -2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 53 17.549 -1.091 -3.302 1.00 0.00 H new ATOM 746 N ASP A 54 13.626 1.342 -6.069 1.00 0.00 N ATOM 747 CA ASP A 54 12.365 2.121 -5.907 1.00 0.00 C ATOM 748 C ASP A 54 11.188 1.158 -5.745 1.00 0.00 C ATOM 749 O ASP A 54 10.971 0.285 -6.562 1.00 0.00 O ATOM 750 CB ASP A 54 12.141 2.997 -7.142 1.00 0.00 C ATOM 751 CG ASP A 54 13.252 4.042 -7.240 1.00 0.00 C ATOM 752 OD1 ASP A 54 14.066 4.101 -6.332 1.00 0.00 O ATOM 753 OD2 ASP A 54 13.272 4.767 -8.221 1.00 0.00 O ATOM 0 H ASP A 54 13.642 0.704 -6.865 1.00 0.00 H new ATOM 0 HA ASP A 54 12.442 2.754 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.129 2.380 -8.040 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.170 3.489 -7.080 1.00 0.00 H new ATOM 758 N ASP A 55 10.425 1.310 -4.697 1.00 0.00 N ATOM 759 CA ASP A 55 9.263 0.402 -4.485 1.00 0.00 C ATOM 760 C ASP A 55 8.109 0.830 -5.395 1.00 0.00 C ATOM 761 O ASP A 55 7.505 1.866 -5.202 1.00 0.00 O ATOM 762 CB ASP A 55 8.816 0.478 -3.024 1.00 0.00 C ATOM 763 CG ASP A 55 9.985 0.099 -2.113 1.00 0.00 C ATOM 764 OD1 ASP A 55 11.069 0.616 -2.328 1.00 0.00 O ATOM 765 OD2 ASP A 55 9.777 -0.703 -1.217 1.00 0.00 O ATOM 0 H ASP A 55 10.556 2.023 -3.979 1.00 0.00 H new ATOM 0 HA ASP A 55 9.553 -0.621 -4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.470 1.485 -2.790 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.976 -0.195 -2.854 1.00 0.00 H new ATOM 770 N ARG A 56 7.800 0.040 -6.386 1.00 0.00 N ATOM 771 CA ARG A 56 6.688 0.401 -7.312 1.00 0.00 C ATOM 772 C ARG A 56 5.467 -0.470 -7.014 1.00 0.00 C ATOM 773 O ARG A 56 5.500 -1.674 -7.168 1.00 0.00 O ATOM 774 CB ARG A 56 7.136 0.175 -8.755 1.00 0.00 C ATOM 775 CG ARG A 56 8.384 1.013 -9.039 1.00 0.00 C ATOM 776 CD ARG A 56 8.019 2.183 -9.955 1.00 0.00 C ATOM 777 NE ARG A 56 9.191 3.095 -10.083 1.00 0.00 N ATOM 778 CZ ARG A 56 9.933 3.057 -11.156 1.00 0.00 C ATOM 779 NH1 ARG A 56 10.622 1.985 -11.436 1.00 0.00 N ATOM 780 NH2 ARG A 56 9.988 4.093 -11.949 1.00 0.00 N ATOM 0 H ARG A 56 8.270 -0.841 -6.595 1.00 0.00 H new ATOM 0 HA ARG A 56 6.425 1.449 -7.171 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.349 -0.881 -8.920 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.336 0.450 -9.443 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.804 1.386 -8.105 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.150 0.396 -9.508 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.724 1.812 -10.937 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.165 2.725 -9.549 1.00 0.00 H new ATOM 0 HE ARG A 56 9.413 3.749 -9.332 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.581 1.176 -10.816 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.202 1.956 -12.275 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.451 4.932 -11.730 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.568 4.063 -12.788 1.00 0.00 H new ATOM 794 N CYS A 57 4.386 0.131 -6.594 1.00 0.00 N ATOM 795 CA CYS A 57 3.166 -0.668 -6.296 1.00 0.00 C ATOM 796 C CYS A 57 2.836 -1.534 -7.508 1.00 0.00 C ATOM 797 O CYS A 57 3.225 -1.229 -8.619 1.00 0.00 O ATOM 798 CB CYS A 57 1.988 0.266 -6.008 1.00 0.00 C ATOM 799 SG CYS A 57 2.514 1.573 -4.874 1.00 0.00 S ATOM 0 H CYS A 57 4.297 1.136 -6.445 1.00 0.00 H new ATOM 0 HA CYS A 57 3.346 -1.295 -5.423 1.00 0.00 H new ATOM 0 HB2 CYS A 57 1.621 0.702 -6.937 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.162 -0.297 -5.572 1.00 0.00 H new ATOM 804 N THR A 58 2.124 -2.611 -7.301 1.00 0.00 N ATOM 805 CA THR A 58 1.769 -3.503 -8.440 1.00 0.00 C ATOM 806 C THR A 58 0.512 -2.981 -9.134 1.00 0.00 C ATOM 807 O THR A 58 0.069 -3.526 -10.125 1.00 0.00 O ATOM 808 CB THR A 58 1.510 -4.922 -7.921 1.00 0.00 C ATOM 809 OG1 THR A 58 0.820 -5.666 -8.913 1.00 0.00 O ATOM 810 CG2 THR A 58 0.665 -4.858 -6.650 1.00 0.00 C ATOM 0 H THR A 58 1.774 -2.910 -6.391 1.00 0.00 H new ATOM 0 HA THR A 58 2.595 -3.519 -9.151 1.00 0.00 H new ATOM 0 HB THR A 58 2.460 -5.406 -7.697 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.753 -5.134 -9.733 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.482 -5.868 -6.283 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.196 -4.286 -5.889 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.287 -4.374 -6.870 1.00 0.00 H new ATOM 818 N GLY A 59 -0.076 -1.937 -8.619 1.00 0.00 N ATOM 819 CA GLY A 59 -1.310 -1.395 -9.249 1.00 0.00 C ATOM 820 C GLY A 59 -2.527 -2.085 -8.630 1.00 0.00 C ATOM 821 O GLY A 59 -3.622 -1.560 -8.629 1.00 0.00 O ATOM 0 H GLY A 59 0.245 -1.437 -7.790 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.369 -0.317 -9.096 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.289 -1.563 -10.326 1.00 0.00 H new ATOM 825 N GLN A 60 -2.336 -3.259 -8.098 1.00 0.00 N ATOM 826 CA GLN A 60 -3.466 -3.992 -7.469 1.00 0.00 C ATOM 827 C GLN A 60 -3.330 -3.909 -5.949 1.00 0.00 C ATOM 828 O GLN A 60 -4.231 -4.261 -5.214 1.00 0.00 O ATOM 829 CB GLN A 60 -3.422 -5.457 -7.908 1.00 0.00 C ATOM 830 CG GLN A 60 -2.990 -5.536 -9.374 1.00 0.00 C ATOM 831 CD GLN A 60 -3.759 -6.658 -10.074 1.00 0.00 C ATOM 832 OE1 GLN A 60 -4.651 -6.403 -10.857 1.00 0.00 O ATOM 833 NE2 GLN A 60 -3.446 -7.900 -9.823 1.00 0.00 N ATOM 0 H GLN A 60 -1.439 -3.744 -8.072 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.414 -3.549 -7.776 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.726 -6.015 -7.282 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.403 -5.916 -7.781 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.180 -4.585 -9.872 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.918 -5.721 -9.439 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.697 -8.114 -9.165 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.951 -8.656 -10.285 1.00 0.00 H new ATOM 842 N SER A 61 -2.205 -3.448 -5.472 1.00 0.00 N ATOM 843 CA SER A 61 -2.008 -3.345 -3.998 1.00 0.00 C ATOM 844 C SER A 61 -2.243 -1.902 -3.546 1.00 0.00 C ATOM 845 O SER A 61 -1.621 -0.980 -4.035 1.00 0.00 O ATOM 846 CB SER A 61 -0.581 -3.764 -3.645 1.00 0.00 C ATOM 847 OG SER A 61 -0.519 -5.181 -3.544 1.00 0.00 O ATOM 0 H SER A 61 -1.415 -3.139 -6.039 1.00 0.00 H new ATOM 0 HA SER A 61 -2.717 -4.001 -3.492 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.113 -3.412 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.278 -3.307 -2.703 1.00 0.00 H new ATOM 0 HG SER A 61 0.395 -5.453 -3.319 1.00 0.00 H new ATOM 853 N ALA A 62 -3.135 -1.699 -2.615 1.00 0.00 N ATOM 854 CA ALA A 62 -3.410 -0.317 -2.131 1.00 0.00 C ATOM 855 C ALA A 62 -2.246 0.157 -1.257 1.00 0.00 C ATOM 856 O ALA A 62 -1.800 1.281 -1.358 1.00 0.00 O ATOM 857 CB ALA A 62 -4.698 -0.309 -1.305 1.00 0.00 C ATOM 0 H ALA A 62 -3.686 -2.432 -2.168 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.522 0.350 -2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.897 0.703 -0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.529 -0.648 -1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.586 -0.976 -0.450 1.00 0.00 H new ATOM 863 N ASP A 63 -1.754 -0.692 -0.398 1.00 0.00 N ATOM 864 CA ASP A 63 -0.622 -0.289 0.482 1.00 0.00 C ATOM 865 C ASP A 63 0.702 -0.637 -0.198 1.00 0.00 C ATOM 866 O ASP A 63 0.728 -1.192 -1.279 1.00 0.00 O ATOM 867 CB ASP A 63 -0.719 -1.037 1.813 1.00 0.00 C ATOM 868 CG ASP A 63 -2.077 -0.758 2.458 1.00 0.00 C ATOM 869 OD1 ASP A 63 -2.731 0.180 2.033 1.00 0.00 O ATOM 870 OD2 ASP A 63 -2.440 -1.488 3.366 1.00 0.00 O ATOM 0 H ASP A 63 -2.087 -1.647 -0.267 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.668 0.785 0.662 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.595 -2.108 1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.084 -0.721 2.479 1.00 0.00 H new ATOM 875 N CYS A 64 1.803 -0.320 0.425 1.00 0.00 N ATOM 876 CA CYS A 64 3.123 -0.637 -0.186 1.00 0.00 C ATOM 877 C CYS A 64 3.889 -1.589 0.728 1.00 0.00 C ATOM 878 O CYS A 64 4.114 -1.292 1.885 1.00 0.00 O ATOM 879 CB CYS A 64 3.921 0.653 -0.387 1.00 0.00 C ATOM 880 SG CYS A 64 5.573 0.249 -1.007 1.00 0.00 S ATOM 0 H CYS A 64 1.845 0.145 1.332 1.00 0.00 H new ATOM 0 HA CYS A 64 2.972 -1.114 -1.155 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.406 1.306 -1.092 1.00 0.00 H new ATOM 0 HB3 CYS A 64 3.997 1.197 0.555 1.00 0.00 H new ATOM 885 N PRO A 65 4.257 -2.716 0.178 1.00 0.00 N ATOM 886 CA PRO A 65 4.990 -3.750 0.913 1.00 0.00 C ATOM 887 C PRO A 65 6.474 -3.389 1.030 1.00 0.00 C ATOM 888 O PRO A 65 6.857 -2.242 0.908 1.00 0.00 O ATOM 889 CB PRO A 65 4.797 -4.996 0.053 1.00 0.00 C ATOM 890 CG PRO A 65 4.457 -4.512 -1.372 1.00 0.00 C ATOM 891 CD PRO A 65 3.977 -3.063 -1.234 1.00 0.00 C ATOM 0 HA PRO A 65 4.636 -3.879 1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.701 -5.605 0.048 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.995 -5.619 0.450 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.331 -4.572 -2.021 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.684 -5.136 -1.820 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.508 -2.402 -1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.915 -2.973 -1.463 1.00 0.00 H new ATOM 899 N ARG A 66 7.309 -4.363 1.268 1.00 0.00 N ATOM 900 CA ARG A 66 8.767 -4.083 1.398 1.00 0.00 C ATOM 901 C ARG A 66 9.522 -4.774 0.260 1.00 0.00 C ATOM 902 O ARG A 66 9.473 -5.979 0.110 1.00 0.00 O ATOM 903 CB ARG A 66 9.267 -4.620 2.741 1.00 0.00 C ATOM 904 CG ARG A 66 10.514 -3.846 3.169 1.00 0.00 C ATOM 905 CD ARG A 66 10.344 -3.351 4.607 1.00 0.00 C ATOM 906 NE ARG A 66 11.639 -3.484 5.332 1.00 0.00 N ATOM 907 CZ ARG A 66 11.897 -2.718 6.357 1.00 0.00 C ATOM 908 NH1 ARG A 66 11.478 -3.056 7.546 1.00 0.00 N ATOM 909 NH2 ARG A 66 12.577 -1.616 6.194 1.00 0.00 N ATOM 0 H ARG A 66 7.044 -5.342 1.378 1.00 0.00 H new ATOM 0 HA ARG A 66 8.939 -3.008 1.347 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.488 -4.521 3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.497 -5.682 2.657 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.394 -4.485 3.096 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.677 -3.001 2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.018 -2.311 4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.570 -3.928 5.113 1.00 0.00 H new ATOM 0 HE ARG A 66 12.325 -4.175 5.027 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.949 -3.919 7.674 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.680 -2.458 8.347 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.907 -1.353 5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.778 -1.018 6.995 1.00 0.00 H new ATOM 923 N TYR A 67 10.222 -4.020 -0.543 1.00 0.00 N ATOM 924 CA TYR A 67 10.981 -4.634 -1.670 1.00 0.00 C ATOM 925 C TYR A 67 12.410 -4.938 -1.214 1.00 0.00 C ATOM 926 O TYR A 67 13.291 -5.174 -2.015 1.00 0.00 O ATOM 927 CB TYR A 67 11.017 -3.662 -2.851 1.00 0.00 C ATOM 928 CG TYR A 67 10.946 -4.437 -4.145 1.00 0.00 C ATOM 929 CD1 TYR A 67 12.119 -4.924 -4.734 1.00 0.00 C ATOM 930 CD2 TYR A 67 9.707 -4.667 -4.758 1.00 0.00 C ATOM 931 CE1 TYR A 67 12.055 -5.641 -5.934 1.00 0.00 C ATOM 932 CE2 TYR A 67 9.643 -5.385 -5.959 1.00 0.00 C ATOM 933 CZ TYR A 67 10.817 -5.872 -6.547 1.00 0.00 C ATOM 934 OH TYR A 67 10.755 -6.579 -7.730 1.00 0.00 O ATOM 0 H TYR A 67 10.301 -3.006 -0.468 1.00 0.00 H new ATOM 0 HA TYR A 67 10.493 -5.559 -1.977 1.00 0.00 H new ATOM 0 HB2 TYR A 67 10.182 -2.964 -2.787 1.00 0.00 H new ATOM 0 HB3 TYR A 67 11.931 -3.069 -2.820 1.00 0.00 H new ATOM 0 HD1 TYR A 67 13.074 -4.746 -4.262 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.802 -4.291 -4.305 1.00 0.00 H new ATOM 0 HE1 TYR A 67 12.960 -6.016 -6.388 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.688 -5.563 -6.432 1.00 0.00 H new ATOM 0 HH TYR A 67 9.822 -6.650 -8.020 1.00 0.00 H new ATOM 944 N HIS A 68 12.645 -4.932 0.071 1.00 0.00 N ATOM 945 CA HIS A 68 14.015 -5.221 0.579 1.00 0.00 C ATOM 946 C HIS A 68 14.055 -6.632 1.169 1.00 0.00 C ATOM 947 O HIS A 68 13.061 -7.037 1.748 1.00 0.00 O ATOM 948 CB HIS A 68 14.380 -4.203 1.662 1.00 0.00 C ATOM 949 CG HIS A 68 15.643 -4.637 2.355 1.00 0.00 C ATOM 950 ND1 HIS A 68 16.840 -4.803 1.676 1.00 0.00 N ATOM 951 CD2 HIS A 68 15.911 -4.943 3.666 1.00 0.00 C ATOM 952 CE1 HIS A 68 17.765 -5.192 2.573 1.00 0.00 C ATOM 953 NE2 HIS A 68 17.251 -5.293 3.801 1.00 0.00 N ATOM 954 OXT HIS A 68 15.078 -7.281 1.032 1.00 0.00 O ATOM 0 H HIS A 68 11.947 -4.739 0.790 1.00 0.00 H new ATOM 0 HA HIS A 68 14.729 -5.152 -0.241 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.517 -3.217 1.218 1.00 0.00 H new ATOM 0 HB3 HIS A 68 13.568 -4.117 2.384 1.00 0.00 H new ATOM 0 HD2 HIS A 68 15.191 -4.916 4.471 1.00 0.00 H new ATOM 0 HE1 HIS A 68 18.797 -5.397 2.329 1.00 0.00 H new ATOM 0 HE2 HIS A 68 17.736 -5.568 4.655 1.00 0.00 H new TER 962 HIS A 68