USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 436 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 44 ASN : amide:sc= -0.316 K(o=-0.32,f=-2.1) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 32 THR OG1 : rot 122:sc= 1.05 USER MOD Set 2.2: A 34 SER OG : rot 180:sc= 0.949 USER MOD Set 3.1: A 3 GLN : amide:sc= 0.633 K(o=1.2,f=0.43) USER MOD Set 3.2: A 5 ASN : amide:sc= 0.574 K(o=1.2,f=0.43) USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.0586 (180deg=0) USER MOD Single : A 11 SER OG : rot 167:sc= 0.846 USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0464) USER MOD Single : A 16 HIS : no HD1:sc= -0.0625 X(o=-0.063,f=-0.025) USER MOD Single : A 20 GLN : amide:sc= 0.651 K(o=0.65,f=-2.5) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0136 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0438) USER MOD Single : A 31 ASN : amide:sc= 0.942 K(o=0.94,f=-0.34) USER MOD Single : A 37 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0696) USER MOD Single : A 40 GLN : amide:sc= 0.702 K(o=0.7,f=-0.027) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.736 -15.270 -4.331 1.00 0.00 N ATOM 2 CA ALA A 1 -17.366 -15.247 -4.874 1.00 0.00 C ATOM 3 C ALA A 1 -17.117 -16.412 -5.831 1.00 0.00 C ATOM 4 O ALA A 1 -17.801 -17.432 -5.761 1.00 0.00 O ATOM 5 CB ALA A 1 -16.334 -15.250 -3.742 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.271 -14.461 -4.705 1.00 0.00 H new ATOM 0 H2 ALA A 1 -19.205 -16.155 -4.610 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.699 -15.210 -3.293 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.256 -14.324 -5.443 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.330 -15.233 -4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.479 -14.370 -3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.458 -16.149 -3.139 1.00 0.00 H new ATOM 13 N ARG A 2 -16.135 -16.245 -6.724 1.00 0.00 N ATOM 14 CA ARG A 2 -15.722 -17.241 -7.706 1.00 0.00 C ATOM 15 C ARG A 2 -14.204 -17.377 -7.636 1.00 0.00 C ATOM 16 O ARG A 2 -13.689 -18.434 -7.277 1.00 0.00 O ATOM 17 CB ARG A 2 -16.167 -16.815 -9.113 1.00 0.00 C ATOM 18 CG ARG A 2 -17.689 -16.671 -9.268 1.00 0.00 C ATOM 19 CD ARG A 2 -18.423 -18.014 -9.175 1.00 0.00 C ATOM 20 NE ARG A 2 -19.868 -17.845 -9.379 1.00 0.00 N ATOM 21 CZ ARG A 2 -20.749 -17.454 -8.442 1.00 0.00 C ATOM 22 NH1 ARG A 2 -20.359 -17.188 -7.187 1.00 0.00 N ATOM 23 NH2 ARG A 2 -22.042 -17.329 -8.767 1.00 0.00 N ATOM 0 H ARG A 2 -15.592 -15.384 -6.781 1.00 0.00 H new ATOM 0 HA ARG A 2 -16.188 -18.202 -7.489 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -15.695 -15.864 -9.360 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -15.806 -17.547 -9.835 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -18.067 -16.001 -8.496 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -17.910 -16.207 -10.229 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -18.026 -18.701 -9.922 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -18.241 -18.464 -8.199 1.00 0.00 H new ATOM 0 HE ARG A 2 -20.234 -18.041 -10.311 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -19.377 -17.281 -6.928 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -21.044 -16.893 -6.492 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -22.350 -17.530 -9.718 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -22.718 -17.033 -8.063 1.00 0.00 H new ATOM 37 N GLN A 3 -13.495 -16.292 -7.971 1.00 0.00 N ATOM 38 CA GLN A 3 -12.047 -16.214 -7.844 1.00 0.00 C ATOM 39 C GLN A 3 -11.624 -16.365 -6.378 1.00 0.00 C ATOM 40 O GLN A 3 -12.318 -15.897 -5.475 1.00 0.00 O ATOM 41 CB GLN A 3 -11.518 -14.910 -8.460 1.00 0.00 C ATOM 42 CG GLN A 3 -12.146 -13.644 -7.860 1.00 0.00 C ATOM 43 CD GLN A 3 -11.487 -12.386 -8.419 1.00 0.00 C ATOM 44 OE1 GLN A 3 -11.990 -11.787 -9.366 1.00 0.00 O ATOM 45 NE2 GLN A 3 -10.360 -11.979 -7.833 1.00 0.00 N ATOM 0 H GLN A 3 -13.920 -15.441 -8.340 1.00 0.00 H new ATOM 0 HA GLN A 3 -11.603 -17.040 -8.399 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -10.437 -14.867 -8.325 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.705 -14.924 -9.534 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.214 -13.626 -8.077 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.042 -13.662 -6.775 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -9.974 -12.505 -7.049 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -9.884 -11.142 -8.169 1.00 0.00 H new ATOM 54 N GLU A 4 -10.486 -17.031 -6.151 1.00 0.00 N ATOM 55 CA GLU A 4 -9.962 -17.295 -4.820 1.00 0.00 C ATOM 56 C GLU A 4 -9.389 -16.004 -4.235 1.00 0.00 C ATOM 57 O GLU A 4 -8.305 -15.576 -4.629 1.00 0.00 O ATOM 58 CB GLU A 4 -8.908 -18.409 -4.897 1.00 0.00 C ATOM 59 CG GLU A 4 -8.422 -18.823 -3.503 1.00 0.00 C ATOM 60 CD GLU A 4 -7.384 -19.937 -3.588 1.00 0.00 C ATOM 61 OE1 GLU A 4 -7.812 -21.111 -3.640 1.00 0.00 O ATOM 62 OE2 GLU A 4 -6.182 -19.596 -3.603 1.00 0.00 O ATOM 0 H GLU A 4 -9.902 -17.403 -6.900 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.758 -17.636 -4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.329 -19.275 -5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.061 -18.069 -5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.992 -17.960 -2.994 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.269 -19.157 -2.904 1.00 0.00 H new ATOM 69 N ASN A 5 -10.122 -15.398 -3.293 1.00 0.00 N ATOM 70 CA ASN A 5 -9.740 -14.176 -2.597 1.00 0.00 C ATOM 71 C ASN A 5 -9.701 -14.465 -1.092 1.00 0.00 C ATOM 72 O ASN A 5 -10.740 -14.380 -0.440 1.00 0.00 O ATOM 73 CB ASN A 5 -10.753 -13.062 -2.907 1.00 0.00 C ATOM 74 CG ASN A 5 -10.717 -12.583 -4.359 1.00 0.00 C ATOM 75 OD1 ASN A 5 -9.873 -12.997 -5.151 1.00 0.00 O ATOM 76 ND2 ASN A 5 -11.645 -11.694 -4.716 1.00 0.00 N ATOM 0 H ASN A 5 -11.025 -15.761 -2.989 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.756 -13.844 -2.929 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -11.756 -13.421 -2.677 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.560 -12.214 -2.249 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.669 -11.337 -5.671 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -12.331 -11.371 -4.034 1.00 0.00 H new ATOM 83 N PRO A 6 -8.527 -14.798 -0.525 1.00 0.00 N ATOM 84 CA PRO A 6 -8.350 -15.047 0.904 1.00 0.00 C ATOM 85 C PRO A 6 -8.813 -13.928 1.843 1.00 0.00 C ATOM 86 O PRO A 6 -9.003 -14.171 3.033 1.00 0.00 O ATOM 87 CB PRO A 6 -6.858 -15.332 1.094 1.00 0.00 C ATOM 88 CG PRO A 6 -6.434 -15.896 -0.259 1.00 0.00 C ATOM 89 CD PRO A 6 -7.302 -15.115 -1.244 1.00 0.00 C ATOM 0 HA PRO A 6 -8.993 -15.881 1.185 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.304 -14.427 1.344 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.684 -16.045 1.900 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -5.371 -15.740 -0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -6.615 -16.969 -0.324 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.797 -14.208 -1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.513 -15.707 -2.135 1.00 0.00 H new ATOM 97 N CYS A 7 -8.984 -12.714 1.312 1.00 0.00 N ATOM 98 CA CYS A 7 -9.359 -11.515 2.045 1.00 0.00 C ATOM 99 C CYS A 7 -10.642 -10.927 1.462 1.00 0.00 C ATOM 100 O CYS A 7 -10.881 -11.032 0.259 1.00 0.00 O ATOM 101 CB CYS A 7 -8.236 -10.486 1.920 1.00 0.00 C ATOM 102 SG CYS A 7 -6.617 -11.016 2.521 1.00 0.00 S ATOM 0 H CYS A 7 -8.858 -12.539 0.315 1.00 0.00 H new ATOM 0 HA CYS A 7 -9.524 -11.768 3.092 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.140 -10.206 0.871 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.529 -9.588 2.464 1.00 0.00 H new ATOM 107 N GLY A 8 -11.449 -10.283 2.314 1.00 0.00 N ATOM 108 CA GLY A 8 -12.607 -9.512 1.889 1.00 0.00 C ATOM 109 C GLY A 8 -12.174 -8.090 1.514 1.00 0.00 C ATOM 110 O GLY A 8 -11.078 -7.678 1.891 1.00 0.00 O ATOM 0 H GLY A 8 -11.309 -10.287 3.324 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.083 -9.994 1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.346 -9.478 2.689 1.00 0.00 H new ATOM 114 N PRO A 9 -13.009 -7.329 0.784 1.00 0.00 N ATOM 115 CA PRO A 9 -12.722 -5.960 0.370 1.00 0.00 C ATOM 116 C PRO A 9 -12.252 -5.064 1.520 1.00 0.00 C ATOM 117 O PRO A 9 -12.803 -5.131 2.618 1.00 0.00 O ATOM 118 CB PRO A 9 -14.031 -5.427 -0.219 1.00 0.00 C ATOM 119 CG PRO A 9 -14.717 -6.687 -0.738 1.00 0.00 C ATOM 120 CD PRO A 9 -14.304 -7.752 0.277 1.00 0.00 C ATOM 0 HA PRO A 9 -11.901 -5.954 -0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.635 -4.921 0.534 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.850 -4.708 -1.018 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -15.800 -6.568 -0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.386 -6.940 -1.745 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.034 -7.829 1.083 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.240 -8.735 -0.190 1.00 0.00 H new ATOM 128 N CYS A 10 -11.246 -4.220 1.255 1.00 0.00 N ATOM 129 CA CYS A 10 -10.768 -3.214 2.195 1.00 0.00 C ATOM 130 C CYS A 10 -11.875 -2.193 2.462 1.00 0.00 C ATOM 131 O CYS A 10 -12.553 -2.273 3.484 1.00 0.00 O ATOM 132 CB CYS A 10 -9.501 -2.545 1.645 1.00 0.00 C ATOM 133 SG CYS A 10 -8.003 -3.536 1.846 1.00 0.00 S ATOM 0 H CYS A 10 -10.739 -4.222 0.370 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.509 -3.686 3.143 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -9.645 -2.333 0.586 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.361 -1.587 2.146 1.00 0.00 H new ATOM 138 N SER A 11 -12.053 -1.238 1.542 1.00 0.00 N ATOM 139 CA SER A 11 -13.146 -0.277 1.582 1.00 0.00 C ATOM 140 C SER A 11 -14.355 -0.820 0.811 1.00 0.00 C ATOM 141 O SER A 11 -14.260 -1.858 0.156 1.00 0.00 O ATOM 142 CB SER A 11 -12.659 1.079 1.070 1.00 0.00 C ATOM 143 OG SER A 11 -11.582 1.536 1.858 1.00 0.00 O ATOM 0 H SER A 11 -11.432 -1.115 0.742 1.00 0.00 H new ATOM 0 HA SER A 11 -13.479 -0.126 2.609 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.347 0.993 0.029 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.474 1.802 1.100 1.00 0.00 H new ATOM 0 HG SER A 11 -11.144 2.289 1.409 1.00 0.00 H new ATOM 149 N GLU A 12 -15.498 -0.127 0.906 1.00 0.00 N ATOM 150 CA GLU A 12 -16.777 -0.631 0.418 1.00 0.00 C ATOM 151 C GLU A 12 -16.861 -0.746 -1.112 1.00 0.00 C ATOM 152 O GLU A 12 -16.825 -1.854 -1.643 1.00 0.00 O ATOM 153 CB GLU A 12 -17.977 0.096 1.072 1.00 0.00 C ATOM 154 CG GLU A 12 -17.908 1.616 1.329 1.00 0.00 C ATOM 155 CD GLU A 12 -18.060 2.479 0.079 1.00 0.00 C ATOM 156 OE1 GLU A 12 -19.214 2.652 -0.369 1.00 0.00 O ATOM 157 OE2 GLU A 12 -17.011 2.945 -0.417 1.00 0.00 O ATOM 0 H GLU A 12 -15.556 0.801 1.326 1.00 0.00 H new ATOM 0 HA GLU A 12 -16.843 -1.667 0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -18.849 -0.088 0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.166 -0.387 2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -18.689 1.887 2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.954 1.848 1.801 1.00 0.00 H new ATOM 164 N ARG A 13 -17.019 0.380 -1.811 1.00 0.00 N ATOM 165 CA ARG A 13 -17.318 0.437 -3.233 1.00 0.00 C ATOM 166 C ARG A 13 -16.755 1.739 -3.801 1.00 0.00 C ATOM 167 O ARG A 13 -15.759 1.736 -4.520 1.00 0.00 O ATOM 168 CB ARG A 13 -18.840 0.317 -3.417 1.00 0.00 C ATOM 169 CG ARG A 13 -19.298 0.506 -4.869 1.00 0.00 C ATOM 170 CD ARG A 13 -20.827 0.554 -4.923 1.00 0.00 C ATOM 171 NE ARG A 13 -21.298 0.842 -6.283 1.00 0.00 N ATOM 172 CZ ARG A 13 -22.561 1.167 -6.604 1.00 0.00 C ATOM 173 NH1 ARG A 13 -23.513 1.239 -5.663 1.00 0.00 N ATOM 174 NH2 ARG A 13 -22.872 1.422 -7.881 1.00 0.00 N ATOM 0 H ARG A 13 -16.939 1.303 -1.384 1.00 0.00 H new ATOM 0 HA ARG A 13 -16.853 -0.385 -3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -19.164 -0.663 -3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -19.333 1.059 -2.789 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -18.881 1.427 -5.276 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -18.928 -0.312 -5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -21.236 -0.399 -4.587 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -21.195 1.318 -4.238 1.00 0.00 H new ATOM 0 HE ARG A 13 -20.616 0.792 -7.040 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -23.282 1.046 -4.688 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -24.468 1.487 -5.922 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -22.152 1.369 -8.602 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -23.829 1.670 -8.133 1.00 0.00 H new ATOM 188 N ARG A 14 -17.424 2.848 -3.460 1.00 0.00 N ATOM 189 CA ARG A 14 -17.178 4.198 -3.954 1.00 0.00 C ATOM 190 C ARG A 14 -15.745 4.643 -3.653 1.00 0.00 C ATOM 191 O ARG A 14 -15.161 5.418 -4.408 1.00 0.00 O ATOM 192 CB ARG A 14 -18.205 5.146 -3.320 1.00 0.00 C ATOM 193 CG ARG A 14 -19.633 4.758 -3.731 1.00 0.00 C ATOM 194 CD ARG A 14 -20.675 5.533 -2.921 1.00 0.00 C ATOM 195 NE ARG A 14 -22.032 5.048 -3.207 1.00 0.00 N ATOM 196 CZ ARG A 14 -22.571 3.915 -2.722 1.00 0.00 C ATOM 197 NH1 ARG A 14 -21.888 3.121 -1.884 1.00 0.00 N ATOM 198 NH2 ARG A 14 -23.815 3.574 -3.082 1.00 0.00 N ATOM 0 H ARG A 14 -18.195 2.819 -2.793 1.00 0.00 H new ATOM 0 HA ARG A 14 -17.291 4.218 -5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -18.113 5.115 -2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -17.999 6.171 -3.628 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -19.774 4.956 -4.793 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -19.778 3.688 -3.584 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -20.465 5.429 -1.857 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -20.607 6.595 -3.157 1.00 0.00 H new ATOM 0 HE ARG A 14 -22.613 5.617 -3.823 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -20.940 3.372 -1.602 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -22.316 2.266 -1.528 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -24.344 4.171 -3.718 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -24.234 2.717 -2.720 1.00 0.00 H new ATOM 212 N LYS A 15 -15.185 4.127 -2.556 1.00 0.00 N ATOM 213 CA LYS A 15 -13.784 4.229 -2.183 1.00 0.00 C ATOM 214 C LYS A 15 -12.954 3.326 -3.104 1.00 0.00 C ATOM 215 O LYS A 15 -12.392 2.321 -2.672 1.00 0.00 O ATOM 216 CB LYS A 15 -13.686 3.837 -0.705 1.00 0.00 C ATOM 217 CG LYS A 15 -14.349 4.895 0.188 1.00 0.00 C ATOM 218 CD LYS A 15 -14.385 4.438 1.652 1.00 0.00 C ATOM 219 CE LYS A 15 -15.067 5.474 2.553 1.00 0.00 C ATOM 220 NZ LYS A 15 -16.512 5.567 2.283 1.00 0.00 N ATOM 0 H LYS A 15 -15.730 3.601 -1.873 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.388 5.238 -2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.166 2.871 -0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.639 3.722 -0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.803 5.835 0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.364 5.086 -0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.915 3.488 1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.368 4.263 2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.909 5.207 3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.605 6.449 2.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.958 6.188 2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.663 5.959 1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.937 4.619 2.338 1.00 0.00 H new ATOM 234 N HIS A 16 -12.885 3.708 -4.386 1.00 0.00 N ATOM 235 CA HIS A 16 -12.142 3.019 -5.432 1.00 0.00 C ATOM 236 C HIS A 16 -10.637 3.292 -5.339 1.00 0.00 C ATOM 237 O HIS A 16 -9.849 2.527 -5.892 1.00 0.00 O ATOM 238 CB HIS A 16 -12.659 3.467 -6.806 1.00 0.00 C ATOM 239 CG HIS A 16 -14.098 3.110 -7.078 1.00 0.00 C ATOM 240 ND1 HIS A 16 -14.512 1.806 -7.305 1.00 0.00 N ATOM 241 CD2 HIS A 16 -15.232 3.876 -7.211 1.00 0.00 C ATOM 242 CE1 HIS A 16 -15.833 1.842 -7.551 1.00 0.00 C ATOM 243 NE2 HIS A 16 -16.334 3.078 -7.507 1.00 0.00 N ATOM 0 H HIS A 16 -13.367 4.539 -4.729 1.00 0.00 H new ATOM 0 HA HIS A 16 -12.295 1.948 -5.300 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.544 4.548 -6.889 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.034 3.020 -7.579 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -15.264 4.950 -7.101 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -16.426 0.964 -7.762 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -17.300 3.370 -7.656 1.00 0.00 H new ATOM 251 N LEU A 17 -10.230 4.370 -4.654 1.00 0.00 N ATOM 252 CA LEU A 17 -8.846 4.823 -4.563 1.00 0.00 C ATOM 253 C LEU A 17 -8.090 4.053 -3.477 1.00 0.00 C ATOM 254 O LEU A 17 -7.384 4.642 -2.660 1.00 0.00 O ATOM 255 CB LEU A 17 -8.825 6.337 -4.304 1.00 0.00 C ATOM 256 CG LEU A 17 -9.583 7.157 -5.362 1.00 0.00 C ATOM 257 CD1 LEU A 17 -9.521 8.635 -4.974 1.00 0.00 C ATOM 258 CD2 LEU A 17 -8.992 6.978 -6.766 1.00 0.00 C ATOM 0 H LEU A 17 -10.877 4.964 -4.135 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.336 4.624 -5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.260 6.535 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.790 6.676 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.613 6.802 -5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.055 9.229 -5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.983 8.774 -3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.480 8.957 -4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.560 7.576 -7.479 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.952 7.303 -6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.044 5.927 -7.051 1.00 0.00 H new ATOM 270 N PHE A 18 -8.244 2.726 -3.490 1.00 0.00 N ATOM 271 CA PHE A 18 -7.617 1.786 -2.581 1.00 0.00 C ATOM 272 C PHE A 18 -7.107 0.593 -3.385 1.00 0.00 C ATOM 273 O PHE A 18 -7.718 0.194 -4.375 1.00 0.00 O ATOM 274 CB PHE A 18 -8.621 1.323 -1.519 1.00 0.00 C ATOM 275 CG PHE A 18 -8.919 2.333 -0.425 1.00 0.00 C ATOM 276 CD1 PHE A 18 -9.816 3.399 -0.650 1.00 0.00 C ATOM 277 CD2 PHE A 18 -8.333 2.173 0.848 1.00 0.00 C ATOM 278 CE1 PHE A 18 -10.133 4.284 0.396 1.00 0.00 C ATOM 279 CE2 PHE A 18 -8.724 3.004 1.912 1.00 0.00 C ATOM 280 CZ PHE A 18 -9.633 4.053 1.688 1.00 0.00 C ATOM 0 H PHE A 18 -8.842 2.263 -4.174 1.00 0.00 H new ATOM 0 HA PHE A 18 -6.783 2.268 -2.071 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.556 1.063 -2.015 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -8.241 0.412 -1.056 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.259 3.535 -1.625 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.583 1.412 1.005 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -10.761 5.142 0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.326 2.837 2.902 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.947 4.681 2.509 1.00 0.00 H new ATOM 290 N VAL A 19 -5.986 0.030 -2.929 1.00 0.00 N ATOM 291 CA VAL A 19 -5.397 -1.210 -3.408 1.00 0.00 C ATOM 292 C VAL A 19 -5.185 -2.122 -2.199 1.00 0.00 C ATOM 293 O VAL A 19 -5.059 -1.643 -1.070 1.00 0.00 O ATOM 294 CB VAL A 19 -4.097 -0.951 -4.193 1.00 0.00 C ATOM 295 CG1 VAL A 19 -4.397 -0.215 -5.505 1.00 0.00 C ATOM 296 CG2 VAL A 19 -3.054 -0.158 -3.395 1.00 0.00 C ATOM 0 H VAL A 19 -5.441 0.453 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.065 -1.702 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.671 -1.933 -4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.467 -0.041 -6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.065 -0.821 -6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.873 0.741 -5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.163 -0.011 -4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.468 0.811 -3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.788 -0.711 -2.494 1.00 0.00 H new ATOM 306 N GLN A 20 -5.179 -3.437 -2.440 1.00 0.00 N ATOM 307 CA GLN A 20 -5.212 -4.447 -1.396 1.00 0.00 C ATOM 308 C GLN A 20 -4.289 -5.613 -1.741 1.00 0.00 C ATOM 309 O GLN A 20 -4.241 -6.042 -2.893 1.00 0.00 O ATOM 310 CB GLN A 20 -6.662 -4.923 -1.243 1.00 0.00 C ATOM 311 CG GLN A 20 -6.783 -6.051 -0.213 1.00 0.00 C ATOM 312 CD GLN A 20 -8.230 -6.414 0.101 1.00 0.00 C ATOM 313 OE1 GLN A 20 -9.172 -5.793 -0.390 1.00 0.00 O ATOM 314 NE2 GLN A 20 -8.402 -7.436 0.934 1.00 0.00 N ATOM 0 H GLN A 20 -5.151 -3.828 -3.382 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.858 -4.025 -0.455 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.290 -4.085 -0.940 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.035 -5.269 -2.207 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.265 -6.934 -0.586 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.281 -5.752 0.707 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.592 -7.923 1.318 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.344 -7.733 1.189 1.00 0.00 H new ATOM 323 N ASP A 21 -3.583 -6.140 -0.731 1.00 0.00 N ATOM 324 CA ASP A 21 -2.838 -7.384 -0.852 1.00 0.00 C ATOM 325 C ASP A 21 -3.835 -8.535 -0.661 1.00 0.00 C ATOM 326 O ASP A 21 -4.453 -8.616 0.400 1.00 0.00 O ATOM 327 CB ASP A 21 -1.724 -7.431 0.200 1.00 0.00 C ATOM 328 CG ASP A 21 -0.814 -8.643 0.003 1.00 0.00 C ATOM 329 OD1 ASP A 21 -1.316 -9.775 0.177 1.00 0.00 O ATOM 330 OD2 ASP A 21 0.372 -8.417 -0.319 1.00 0.00 O ATOM 0 H ASP A 21 -3.517 -5.709 0.191 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.362 -7.465 -1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.132 -6.518 0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.165 -7.465 1.196 1.00 0.00 H new ATOM 335 N PRO A 22 -4.022 -9.422 -1.651 1.00 0.00 N ATOM 336 CA PRO A 22 -5.063 -10.440 -1.618 1.00 0.00 C ATOM 337 C PRO A 22 -4.782 -11.556 -0.605 1.00 0.00 C ATOM 338 O PRO A 22 -5.713 -12.257 -0.216 1.00 0.00 O ATOM 339 CB PRO A 22 -5.140 -10.985 -3.046 1.00 0.00 C ATOM 340 CG PRO A 22 -3.718 -10.792 -3.569 1.00 0.00 C ATOM 341 CD PRO A 22 -3.284 -9.487 -2.902 1.00 0.00 C ATOM 0 HA PRO A 22 -6.009 -10.010 -1.289 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.436 -12.034 -3.061 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.868 -10.439 -3.647 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.069 -11.623 -3.292 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.694 -10.718 -4.656 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.209 -9.477 -2.724 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.510 -8.629 -3.535 1.00 0.00 H new ATOM 349 N GLN A 23 -3.522 -11.731 -0.184 1.00 0.00 N ATOM 350 CA GLN A 23 -3.114 -12.777 0.744 1.00 0.00 C ATOM 351 C GLN A 23 -3.174 -12.278 2.189 1.00 0.00 C ATOM 352 O GLN A 23 -3.781 -12.930 3.037 1.00 0.00 O ATOM 353 CB GLN A 23 -1.700 -13.263 0.398 1.00 0.00 C ATOM 354 CG GLN A 23 -1.653 -13.918 -0.988 1.00 0.00 C ATOM 355 CD GLN A 23 -0.249 -14.413 -1.322 1.00 0.00 C ATOM 356 OE1 GLN A 23 0.430 -13.838 -2.169 1.00 0.00 O ATOM 357 NE2 GLN A 23 0.191 -15.485 -0.660 1.00 0.00 N ATOM 0 H GLN A 23 -2.751 -11.137 -0.488 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.806 -13.614 0.650 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.008 -12.422 0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.366 -13.977 1.150 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.353 -14.753 -1.021 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.977 -13.201 -1.742 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.404 -15.934 0.036 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.122 -15.855 -0.850 1.00 0.00 H new ATOM 366 N THR A 24 -2.535 -11.135 2.470 1.00 0.00 N ATOM 367 CA THR A 24 -2.323 -10.632 3.825 1.00 0.00 C ATOM 368 C THR A 24 -3.341 -9.555 4.218 1.00 0.00 C ATOM 369 O THR A 24 -3.370 -9.146 5.377 1.00 0.00 O ATOM 370 CB THR A 24 -0.891 -10.093 3.951 1.00 0.00 C ATOM 371 OG1 THR A 24 -0.694 -9.028 3.045 1.00 0.00 O ATOM 372 CG2 THR A 24 0.150 -11.184 3.682 1.00 0.00 C ATOM 0 H THR A 24 -2.147 -10.528 1.748 1.00 0.00 H new ATOM 0 HA THR A 24 -2.468 -11.463 4.515 1.00 0.00 H new ATOM 0 HB THR A 24 -0.762 -9.741 4.975 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.221 -8.689 3.133 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.151 -10.764 3.781 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.023 -11.993 4.401 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.017 -11.572 2.672 1.00 0.00 H new ATOM 380 N CYS A 25 -4.176 -9.101 3.273 1.00 0.00 N ATOM 381 CA CYS A 25 -5.287 -8.182 3.504 1.00 0.00 C ATOM 382 C CYS A 25 -4.815 -6.768 3.864 1.00 0.00 C ATOM 383 O CYS A 25 -5.592 -5.983 4.405 1.00 0.00 O ATOM 384 CB CYS A 25 -6.276 -8.738 4.547 1.00 0.00 C ATOM 385 SG CYS A 25 -6.644 -10.518 4.505 1.00 0.00 S ATOM 0 H CYS A 25 -4.089 -9.376 2.295 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.823 -8.097 2.559 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.887 -8.500 5.537 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.217 -8.199 4.436 1.00 0.00 H new ATOM 390 N LYS A 26 -3.553 -6.436 3.561 1.00 0.00 N ATOM 391 CA LYS A 26 -2.985 -5.123 3.821 1.00 0.00 C ATOM 392 C LYS A 26 -3.603 -4.113 2.856 1.00 0.00 C ATOM 393 O LYS A 26 -3.503 -4.286 1.642 1.00 0.00 O ATOM 394 CB LYS A 26 -1.461 -5.171 3.655 1.00 0.00 C ATOM 395 CG LYS A 26 -0.804 -6.038 4.736 1.00 0.00 C ATOM 396 CD LYS A 26 0.705 -6.132 4.485 1.00 0.00 C ATOM 397 CE LYS A 26 1.378 -7.000 5.551 1.00 0.00 C ATOM 398 NZ LYS A 26 2.822 -7.130 5.299 1.00 0.00 N ATOM 0 H LYS A 26 -2.898 -7.084 3.124 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.206 -4.819 4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.214 -5.567 2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.057 -4.160 3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.991 -5.610 5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.245 -7.035 4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.889 -6.553 3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.143 -5.134 4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.216 -6.562 6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.918 -7.988 5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.251 -7.723 6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.974 -7.570 4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.263 -6.188 5.312 1.00 0.00 H new ATOM 412 N CYS A 27 -4.241 -3.073 3.406 1.00 0.00 N ATOM 413 CA CYS A 27 -4.914 -2.025 2.651 1.00 0.00 C ATOM 414 C CYS A 27 -4.015 -0.799 2.571 1.00 0.00 C ATOM 415 O CYS A 27 -3.469 -0.369 3.587 1.00 0.00 O ATOM 416 CB CYS A 27 -6.214 -1.627 3.351 1.00 0.00 C ATOM 417 SG CYS A 27 -7.342 -3.001 3.702 1.00 0.00 S ATOM 0 H CYS A 27 -4.301 -2.939 4.415 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.133 -2.400 1.651 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.967 -1.130 4.289 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -6.735 -0.897 2.731 1.00 0.00 H new ATOM 422 N SER A 28 -3.878 -0.237 1.368 1.00 0.00 N ATOM 423 CA SER A 28 -3.193 1.027 1.148 1.00 0.00 C ATOM 424 C SER A 28 -3.930 1.843 0.092 1.00 0.00 C ATOM 425 O SER A 28 -4.437 1.284 -0.875 1.00 0.00 O ATOM 426 CB SER A 28 -1.746 0.781 0.711 1.00 0.00 C ATOM 427 OG SER A 28 -1.051 0.019 1.675 1.00 0.00 O ATOM 0 H SER A 28 -4.246 -0.656 0.514 1.00 0.00 H new ATOM 0 HA SER A 28 -3.182 1.586 2.083 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.735 0.261 -0.247 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.240 1.735 0.562 1.00 0.00 H new ATOM 0 HG SER A 28 -0.130 -0.127 1.374 1.00 0.00 H new ATOM 433 N CYS A 29 -3.967 3.166 0.268 1.00 0.00 N ATOM 434 CA CYS A 29 -4.434 4.089 -0.757 1.00 0.00 C ATOM 435 C CYS A 29 -3.307 4.409 -1.732 1.00 0.00 C ATOM 436 O CYS A 29 -2.174 4.651 -1.319 1.00 0.00 O ATOM 437 CB CYS A 29 -4.988 5.369 -0.132 1.00 0.00 C ATOM 438 SG CYS A 29 -6.617 5.122 0.599 1.00 0.00 S ATOM 0 H CYS A 29 -3.672 3.624 1.130 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.244 3.609 -1.306 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.299 5.725 0.634 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.048 6.146 -0.894 1.00 0.00 H new ATOM 443 N LYS A 30 -3.635 4.419 -3.029 1.00 0.00 N ATOM 444 CA LYS A 30 -2.725 4.836 -4.086 1.00 0.00 C ATOM 445 C LYS A 30 -2.382 6.316 -3.901 1.00 0.00 C ATOM 446 O LYS A 30 -1.213 6.695 -3.941 1.00 0.00 O ATOM 447 CB LYS A 30 -3.379 4.561 -5.447 1.00 0.00 C ATOM 448 CG LYS A 30 -2.435 4.899 -6.607 1.00 0.00 C ATOM 449 CD LYS A 30 -3.095 4.546 -7.946 1.00 0.00 C ATOM 450 CE LYS A 30 -2.161 4.815 -9.130 1.00 0.00 C ATOM 451 NZ LYS A 30 -1.846 6.247 -9.273 1.00 0.00 N ATOM 0 H LYS A 30 -4.552 4.133 -3.372 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.794 4.271 -4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.668 3.512 -5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.292 5.149 -5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.185 5.960 -6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.501 4.349 -6.497 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.384 3.495 -7.943 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.009 5.128 -8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.237 4.252 -8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.626 4.453 -10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.311 6.399 -10.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.729 6.795 -9.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.275 6.560 -8.462 1.00 0.00 H new ATOM 465 N ASN A 31 -3.411 7.144 -3.684 1.00 0.00 N ATOM 466 CA ASN A 31 -3.263 8.547 -3.339 1.00 0.00 C ATOM 467 C ASN A 31 -2.814 8.640 -1.879 1.00 0.00 C ATOM 468 O ASN A 31 -3.609 8.385 -0.976 1.00 0.00 O ATOM 469 CB ASN A 31 -4.603 9.260 -3.564 1.00 0.00 C ATOM 470 CG ASN A 31 -4.541 10.751 -3.242 1.00 0.00 C ATOM 471 OD1 ASN A 31 -3.470 11.354 -3.237 1.00 0.00 O ATOM 472 ND2 ASN A 31 -5.701 11.350 -2.972 1.00 0.00 N ATOM 0 H ASN A 31 -4.384 6.844 -3.747 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.514 9.031 -3.965 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.909 9.130 -4.602 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.368 8.791 -2.945 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.722 12.345 -2.751 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.568 10.813 -2.987 1.00 0.00 H new ATOM 479 N THR A 32 -1.543 8.992 -1.657 1.00 0.00 N ATOM 480 CA THR A 32 -0.949 9.119 -0.331 1.00 0.00 C ATOM 481 C THR A 32 -0.900 10.588 0.094 1.00 0.00 C ATOM 482 O THR A 32 -1.088 11.489 -0.722 1.00 0.00 O ATOM 483 CB THR A 32 0.456 8.495 -0.321 1.00 0.00 C ATOM 484 OG1 THR A 32 1.274 9.098 -1.302 1.00 0.00 O ATOM 485 CG2 THR A 32 0.400 6.983 -0.560 1.00 0.00 C ATOM 0 H THR A 32 -0.889 9.200 -2.412 1.00 0.00 H new ATOM 0 HA THR A 32 -1.568 8.582 0.387 1.00 0.00 H new ATOM 0 HB THR A 32 0.884 8.673 0.666 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.064 9.489 -0.874 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.411 6.575 -0.547 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.192 6.512 0.225 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.059 6.785 -1.529 1.00 0.00 H new ATOM 493 N ASP A 33 -0.628 10.826 1.383 1.00 0.00 N ATOM 494 CA ASP A 33 -0.452 12.168 1.920 1.00 0.00 C ATOM 495 C ASP A 33 0.778 12.844 1.318 1.00 0.00 C ATOM 496 O ASP A 33 0.762 14.052 1.109 1.00 0.00 O ATOM 497 CB ASP A 33 -0.387 12.121 3.449 1.00 0.00 C ATOM 498 CG ASP A 33 -0.490 13.525 4.038 1.00 0.00 C ATOM 499 OD1 ASP A 33 -1.637 14.015 4.127 1.00 0.00 O ATOM 500 OD2 ASP A 33 0.575 14.082 4.382 1.00 0.00 O ATOM 0 H ASP A 33 -0.525 10.087 2.079 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.315 12.773 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.196 11.500 3.833 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.548 11.657 3.764 1.00 0.00 H new ATOM 505 N SER A 34 1.828 12.071 1.017 1.00 0.00 N ATOM 506 CA SER A 34 2.982 12.542 0.264 1.00 0.00 C ATOM 507 C SER A 34 2.569 12.985 -1.144 1.00 0.00 C ATOM 508 O SER A 34 3.039 14.017 -1.620 1.00 0.00 O ATOM 509 CB SER A 34 4.057 11.448 0.235 1.00 0.00 C ATOM 510 OG SER A 34 3.489 10.168 0.048 1.00 0.00 O ATOM 0 H SER A 34 1.895 11.092 1.295 1.00 0.00 H new ATOM 0 HA SER A 34 3.405 13.418 0.756 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.765 11.654 -0.568 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.620 11.465 1.168 1.00 0.00 H new ATOM 0 HG SER A 34 4.200 9.494 0.032 1.00 0.00 H new ATOM 516 N ARG A 35 1.681 12.221 -1.797 1.00 0.00 N ATOM 517 CA ARG A 35 1.106 12.579 -3.090 1.00 0.00 C ATOM 518 C ARG A 35 0.450 13.959 -2.975 1.00 0.00 C ATOM 519 O ARG A 35 0.780 14.872 -3.727 1.00 0.00 O ATOM 520 CB ARG A 35 0.094 11.501 -3.525 1.00 0.00 C ATOM 521 CG ARG A 35 -0.084 11.311 -5.038 1.00 0.00 C ATOM 522 CD ARG A 35 -0.507 12.570 -5.804 1.00 0.00 C ATOM 523 NE ARG A 35 0.645 13.421 -6.130 1.00 0.00 N ATOM 524 CZ ARG A 35 1.568 13.159 -7.072 1.00 0.00 C ATOM 525 NH1 ARG A 35 1.464 12.081 -7.862 1.00 0.00 N ATOM 526 NH2 ARG A 35 2.610 13.986 -7.223 1.00 0.00 N ATOM 0 H ARG A 35 1.342 11.330 -1.434 1.00 0.00 H new ATOM 0 HA ARG A 35 1.883 12.629 -3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.401 10.548 -3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.876 11.748 -3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.855 10.948 -5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.830 10.534 -5.206 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.018 12.282 -6.723 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.221 13.137 -5.206 1.00 0.00 H new ATOM 0 HE ARG A 35 0.754 14.284 -5.597 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.675 11.444 -7.754 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.174 11.898 -8.571 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.699 14.808 -6.626 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.314 13.794 -7.935 1.00 0.00 H new ATOM 540 N CYS A 36 -0.467 14.116 -2.014 1.00 0.00 N ATOM 541 CA CYS A 36 -1.191 15.358 -1.784 1.00 0.00 C ATOM 542 C CYS A 36 -0.250 16.517 -1.450 1.00 0.00 C ATOM 543 O CYS A 36 -0.451 17.628 -1.937 1.00 0.00 O ATOM 544 CB CYS A 36 -2.237 15.160 -0.681 1.00 0.00 C ATOM 545 SG CYS A 36 -3.523 13.937 -1.036 1.00 0.00 S ATOM 0 H CYS A 36 -0.726 13.370 -1.369 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.701 15.625 -2.710 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.723 14.866 0.234 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.717 16.119 -0.483 1.00 0.00 H new ATOM 550 N LYS A 37 0.778 16.265 -0.632 1.00 0.00 N ATOM 551 CA LYS A 37 1.744 17.268 -0.207 1.00 0.00 C ATOM 552 C LYS A 37 2.541 17.828 -1.390 1.00 0.00 C ATOM 553 O LYS A 37 3.014 18.960 -1.317 1.00 0.00 O ATOM 554 CB LYS A 37 2.651 16.685 0.885 1.00 0.00 C ATOM 555 CG LYS A 37 3.507 17.770 1.550 1.00 0.00 C ATOM 556 CD LYS A 37 4.262 17.194 2.754 1.00 0.00 C ATOM 557 CE LYS A 37 5.169 18.244 3.407 1.00 0.00 C ATOM 558 NZ LYS A 37 4.399 19.363 3.977 1.00 0.00 N ATOM 0 H LYS A 37 0.960 15.340 -0.243 1.00 0.00 H new ATOM 0 HA LYS A 37 1.205 18.115 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.040 16.190 1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.300 15.924 0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.216 18.175 0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.873 18.596 1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.547 16.822 3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.862 16.342 2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.760 17.774 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.871 18.627 2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.037 19.988 4.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.949 19.901 3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.667 18.991 4.615 1.00 0.00 H new ATOM 572 N ALA A 38 2.669 17.073 -2.490 1.00 0.00 N ATOM 573 CA ALA A 38 3.252 17.587 -3.724 1.00 0.00 C ATOM 574 C ALA A 38 2.473 18.799 -4.259 1.00 0.00 C ATOM 575 O ALA A 38 3.066 19.668 -4.894 1.00 0.00 O ATOM 576 CB ALA A 38 3.330 16.472 -4.769 1.00 0.00 C ATOM 0 H ALA A 38 2.373 16.099 -2.544 1.00 0.00 H new ATOM 0 HA ALA A 38 4.262 17.932 -3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.767 16.864 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.951 15.661 -4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.328 16.096 -4.975 1.00 0.00 H new ATOM 582 N ARG A 39 1.160 18.867 -3.989 1.00 0.00 N ATOM 583 CA ARG A 39 0.294 19.996 -4.319 1.00 0.00 C ATOM 584 C ARG A 39 0.060 20.898 -3.095 1.00 0.00 C ATOM 585 O ARG A 39 -0.785 21.789 -3.156 1.00 0.00 O ATOM 586 CB ARG A 39 -1.061 19.488 -4.848 1.00 0.00 C ATOM 587 CG ARG A 39 -0.970 18.610 -6.103 1.00 0.00 C ATOM 588 CD ARG A 39 -0.808 17.119 -5.776 1.00 0.00 C ATOM 589 NE ARG A 39 -0.829 16.295 -6.990 1.00 0.00 N ATOM 590 CZ ARG A 39 0.169 16.208 -7.886 1.00 0.00 C ATOM 591 NH1 ARG A 39 1.309 16.894 -7.720 1.00 0.00 N ATOM 592 NH2 ARG A 39 0.022 15.422 -8.960 1.00 0.00 N ATOM 0 H ARG A 39 0.662 18.111 -3.520 1.00 0.00 H new ATOM 0 HA ARG A 39 0.793 20.583 -5.090 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.554 18.920 -4.059 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.695 20.347 -5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.868 18.750 -6.704 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.126 18.938 -6.710 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.131 16.962 -5.245 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.609 16.803 -5.107 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.669 15.744 -7.168 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.429 17.494 -6.904 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.056 16.816 -8.410 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.842 14.896 -9.093 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.774 15.349 -9.646 1.00 0.00 H new ATOM 606 N GLN A 40 0.782 20.670 -1.987 1.00 0.00 N ATOM 607 CA GLN A 40 0.571 21.315 -0.694 1.00 0.00 C ATOM 608 C GLN A 40 -0.868 21.115 -0.205 1.00 0.00 C ATOM 609 O GLN A 40 -1.509 22.050 0.270 1.00 0.00 O ATOM 610 CB GLN A 40 0.998 22.794 -0.734 1.00 0.00 C ATOM 611 CG GLN A 40 2.486 22.982 -1.064 1.00 0.00 C ATOM 612 CD GLN A 40 3.394 22.569 0.094 1.00 0.00 C ATOM 613 OE1 GLN A 40 3.690 23.380 0.967 1.00 0.00 O ATOM 614 NE2 GLN A 40 3.847 21.314 0.110 1.00 0.00 N ATOM 0 H GLN A 40 1.556 20.006 -1.973 1.00 0.00 H new ATOM 0 HA GLN A 40 1.214 20.832 0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.398 23.319 -1.477 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.785 23.254 0.231 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.737 22.394 -1.947 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.671 24.027 -1.313 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.581 20.666 -0.632 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.459 21.002 0.864 1.00 0.00 H new ATOM 623 N LEU A 41 -1.356 19.873 -0.316 1.00 0.00 N ATOM 624 CA LEU A 41 -2.640 19.413 0.194 1.00 0.00 C ATOM 625 C LEU A 41 -2.393 18.251 1.159 1.00 0.00 C ATOM 626 O LEU A 41 -1.272 17.754 1.257 1.00 0.00 O ATOM 627 CB LEU A 41 -3.539 18.978 -0.974 1.00 0.00 C ATOM 628 CG LEU A 41 -3.871 20.091 -1.981 1.00 0.00 C ATOM 629 CD1 LEU A 41 -4.679 19.493 -3.138 1.00 0.00 C ATOM 630 CD2 LEU A 41 -4.677 21.231 -1.348 1.00 0.00 C ATOM 0 H LEU A 41 -0.837 19.132 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.148 20.218 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.051 18.161 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.471 18.584 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.928 20.508 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.919 20.276 -3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.092 18.717 -3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.602 19.060 -2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.885 21.991 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.616 20.839 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.103 21.674 -0.534 1.00 0.00 H new ATOM 642 N GLU A 42 -3.441 17.815 1.869 1.00 0.00 N ATOM 643 CA GLU A 42 -3.387 16.717 2.827 1.00 0.00 C ATOM 644 C GLU A 42 -4.492 15.710 2.510 1.00 0.00 C ATOM 645 O GLU A 42 -5.571 16.088 2.059 1.00 0.00 O ATOM 646 CB GLU A 42 -3.531 17.254 4.258 1.00 0.00 C ATOM 647 CG GLU A 42 -2.330 18.106 4.696 1.00 0.00 C ATOM 648 CD GLU A 42 -1.049 17.282 4.822 1.00 0.00 C ATOM 649 OE1 GLU A 42 -0.980 16.491 5.787 1.00 0.00 O ATOM 650 OE2 GLU A 42 -0.161 17.459 3.960 1.00 0.00 O ATOM 0 H GLU A 42 -4.369 18.229 1.787 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.422 16.216 2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.440 17.852 4.327 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.647 16.416 4.946 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.174 18.908 3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.552 18.577 5.653 1.00 0.00 H new ATOM 657 N LEU A 43 -4.209 14.424 2.741 1.00 0.00 N ATOM 658 CA LEU A 43 -5.092 13.321 2.391 1.00 0.00 C ATOM 659 C LEU A 43 -6.207 13.164 3.426 1.00 0.00 C ATOM 660 O LEU A 43 -5.947 13.202 4.627 1.00 0.00 O ATOM 661 CB LEU A 43 -4.257 12.035 2.320 1.00 0.00 C ATOM 662 CG LEU A 43 -5.010 10.808 1.781 1.00 0.00 C ATOM 663 CD1 LEU A 43 -5.173 10.902 0.260 1.00 0.00 C ATOM 664 CD2 LEU A 43 -4.220 9.542 2.126 1.00 0.00 C ATOM 0 H LEU A 43 -3.342 14.121 3.185 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.559 13.523 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.388 12.217 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.883 11.805 3.318 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.999 10.772 2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.708 10.025 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.737 11.801 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.190 10.948 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.749 8.668 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.232 9.594 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.116 9.461 3.208 1.00 0.00 H new ATOM 676 N ASN A 44 -7.440 12.951 2.952 1.00 0.00 N ATOM 677 CA ASN A 44 -8.564 12.549 3.784 1.00 0.00 C ATOM 678 C ASN A 44 -8.551 11.022 3.806 1.00 0.00 C ATOM 679 O ASN A 44 -8.836 10.400 2.789 1.00 0.00 O ATOM 680 CB ASN A 44 -9.876 13.083 3.190 1.00 0.00 C ATOM 681 CG ASN A 44 -11.125 12.552 3.902 1.00 0.00 C ATOM 682 OD1 ASN A 44 -11.044 11.888 4.934 1.00 0.00 O ATOM 683 ND2 ASN A 44 -12.300 12.842 3.342 1.00 0.00 N ATOM 0 H ASN A 44 -7.681 13.056 1.966 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.486 12.951 4.794 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.873 14.172 3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.925 12.813 2.135 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -13.165 12.511 3.770 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -12.334 13.395 2.486 1.00 0.00 H new ATOM 690 N GLU A 45 -8.213 10.430 4.956 1.00 0.00 N ATOM 691 CA GLU A 45 -8.013 8.995 5.134 1.00 0.00 C ATOM 692 C GLU A 45 -9.164 8.138 4.588 1.00 0.00 C ATOM 693 O GLU A 45 -8.919 7.040 4.091 1.00 0.00 O ATOM 694 CB GLU A 45 -7.785 8.719 6.627 1.00 0.00 C ATOM 695 CG GLU A 45 -7.431 7.253 6.910 1.00 0.00 C ATOM 696 CD GLU A 45 -7.142 7.036 8.392 1.00 0.00 C ATOM 697 OE1 GLU A 45 -8.124 6.824 9.137 1.00 0.00 O ATOM 698 OE2 GLU A 45 -5.947 7.090 8.755 1.00 0.00 O ATOM 0 H GLU A 45 -8.067 10.958 5.816 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.140 8.705 4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.982 9.360 6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.684 8.986 7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.254 6.610 6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.561 6.965 6.320 1.00 0.00 H new ATOM 705 N ARG A 46 -10.409 8.620 4.681 1.00 0.00 N ATOM 706 CA ARG A 46 -11.584 7.809 4.395 1.00 0.00 C ATOM 707 C ARG A 46 -11.814 7.681 2.890 1.00 0.00 C ATOM 708 O ARG A 46 -11.963 6.570 2.386 1.00 0.00 O ATOM 709 CB ARG A 46 -12.817 8.420 5.075 1.00 0.00 C ATOM 710 CG ARG A 46 -12.689 8.523 6.603 1.00 0.00 C ATOM 711 CD ARG A 46 -12.351 7.189 7.286 1.00 0.00 C ATOM 712 NE ARG A 46 -13.197 6.086 6.809 1.00 0.00 N ATOM 713 CZ ARG A 46 -14.483 5.885 7.141 1.00 0.00 C ATOM 714 NH1 ARG A 46 -15.117 6.710 7.985 1.00 0.00 N ATOM 715 NH2 ARG A 46 -15.141 4.842 6.619 1.00 0.00 N ATOM 0 H ARG A 46 -10.623 9.579 4.956 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.415 6.808 4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.992 9.415 4.666 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.692 7.817 4.832 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.915 9.251 6.846 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.625 8.904 7.012 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.304 6.946 7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.471 7.295 8.364 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.771 5.415 6.170 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.623 7.507 8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.094 6.541 8.225 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.665 4.209 5.976 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.118 4.680 6.865 1.00 0.00 H new ATOM 729 N THR A 47 -11.838 8.809 2.174 1.00 0.00 N ATOM 730 CA THR A 47 -12.114 8.841 0.742 1.00 0.00 C ATOM 731 C THR A 47 -10.825 8.688 -0.071 1.00 0.00 C ATOM 732 O THR A 47 -10.874 8.288 -1.232 1.00 0.00 O ATOM 733 CB THR A 47 -12.811 10.162 0.383 1.00 0.00 C ATOM 734 OG1 THR A 47 -11.968 11.260 0.671 1.00 0.00 O ATOM 735 CG2 THR A 47 -14.136 10.328 1.134 1.00 0.00 C ATOM 0 H THR A 47 -11.665 9.729 2.578 1.00 0.00 H new ATOM 0 HA THR A 47 -12.768 8.004 0.496 1.00 0.00 H new ATOM 0 HB THR A 47 -13.024 10.133 -0.686 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.425 12.094 0.436 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.598 11.274 0.853 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.805 9.507 0.877 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.949 10.321 2.208 1.00 0.00 H new ATOM 743 N CYS A 48 -9.684 9.025 0.542 1.00 0.00 N ATOM 744 CA CYS A 48 -8.382 9.146 -0.089 1.00 0.00 C ATOM 745 C CYS A 48 -8.439 10.118 -1.262 1.00 0.00 C ATOM 746 O CYS A 48 -8.057 9.795 -2.384 1.00 0.00 O ATOM 747 CB CYS A 48 -7.765 7.775 -0.372 1.00 0.00 C ATOM 748 SG CYS A 48 -7.222 6.985 1.165 1.00 0.00 S ATOM 0 H CYS A 48 -9.652 9.229 1.541 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.675 9.602 0.604 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -8.494 7.140 -0.875 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.918 7.885 -1.049 1.00 0.00 H new ATOM 753 N ARG A 49 -8.911 11.330 -0.949 1.00 0.00 N ATOM 754 CA ARG A 49 -8.892 12.511 -1.797 1.00 0.00 C ATOM 755 C ARG A 49 -8.002 13.551 -1.116 1.00 0.00 C ATOM 756 O ARG A 49 -7.864 13.537 0.108 1.00 0.00 O ATOM 757 CB ARG A 49 -10.317 13.064 -1.943 1.00 0.00 C ATOM 758 CG ARG A 49 -11.295 12.092 -2.617 1.00 0.00 C ATOM 759 CD ARG A 49 -11.028 11.941 -4.117 1.00 0.00 C ATOM 760 NE ARG A 49 -12.051 11.092 -4.740 1.00 0.00 N ATOM 761 CZ ARG A 49 -12.221 10.935 -6.063 1.00 0.00 C ATOM 762 NH1 ARG A 49 -11.419 11.559 -6.939 1.00 0.00 N ATOM 763 NH2 ARG A 49 -13.201 10.142 -6.514 1.00 0.00 N ATOM 0 H ARG A 49 -9.340 11.516 -0.042 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.511 12.269 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.699 13.322 -0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.281 13.987 -2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.221 11.116 -2.138 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.315 12.445 -2.466 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.023 12.922 -4.592 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.041 11.506 -4.274 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.681 10.582 -4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.668 12.162 -6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.560 11.430 -7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.813 9.662 -5.854 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.336 10.018 -7.517 1.00 0.00 H new ATOM 777 N CYS A 50 -7.406 14.456 -1.901 1.00 0.00 N ATOM 778 CA CYS A 50 -6.570 15.527 -1.377 1.00 0.00 C ATOM 779 C CYS A 50 -7.445 16.743 -1.082 1.00 0.00 C ATOM 780 O CYS A 50 -8.300 17.101 -1.891 1.00 0.00 O ATOM 781 CB CYS A 50 -5.470 15.890 -2.378 1.00 0.00 C ATOM 782 SG CYS A 50 -4.324 14.560 -2.821 1.00 0.00 S ATOM 0 H CYS A 50 -7.494 14.461 -2.917 1.00 0.00 H new ATOM 0 HA CYS A 50 -6.090 15.193 -0.457 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.943 16.253 -3.290 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.892 16.718 -1.967 1.00 0.00 H new ATOM 787 N ASP A 51 -7.237 17.360 0.086 1.00 0.00 N ATOM 788 CA ASP A 51 -8.047 18.454 0.604 1.00 0.00 C ATOM 789 C ASP A 51 -7.151 19.499 1.270 1.00 0.00 C ATOM 790 O ASP A 51 -5.962 19.265 1.484 1.00 0.00 O ATOM 791 CB ASP A 51 -9.070 17.898 1.605 1.00 0.00 C ATOM 792 CG ASP A 51 -10.037 16.917 0.946 1.00 0.00 C ATOM 793 OD1 ASP A 51 -11.012 17.407 0.335 1.00 0.00 O ATOM 794 OD2 ASP A 51 -9.786 15.698 1.061 1.00 0.00 O ATOM 0 H ASP A 51 -6.475 17.099 0.712 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.580 18.936 -0.216 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.546 17.399 2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.632 18.722 2.045 1.00 0.00 H new ATOM 799 N LYS A 52 -7.735 20.659 1.594 1.00 0.00 N ATOM 800 CA LYS A 52 -7.056 21.774 2.230 1.00 0.00 C ATOM 801 C LYS A 52 -6.370 21.329 3.532 1.00 0.00 C ATOM 802 O LYS A 52 -7.001 20.648 4.340 1.00 0.00 O ATOM 803 CB LYS A 52 -8.052 22.920 2.472 1.00 0.00 C ATOM 804 CG LYS A 52 -9.175 22.570 3.463 1.00 0.00 C ATOM 805 CD LYS A 52 -10.336 23.571 3.399 1.00 0.00 C ATOM 806 CE LYS A 52 -9.894 24.990 3.766 1.00 0.00 C ATOM 807 NZ LYS A 52 -11.036 25.916 3.817 1.00 0.00 N ATOM 0 H LYS A 52 -8.721 20.844 1.412 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.272 22.139 1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.509 23.788 2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.498 23.208 1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.548 21.569 3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.771 22.549 4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.758 23.572 2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.127 23.251 4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.392 24.977 4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.168 25.346 3.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.700 26.868 4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.500 25.947 2.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.716 25.589 4.532 1.00 0.00 H new ATOM 821 N PRO A 53 -5.095 21.698 3.753 1.00 0.00 N ATOM 822 CA PRO A 53 -4.384 21.468 5.004 1.00 0.00 C ATOM 823 C PRO A 53 -5.174 21.958 6.220 1.00 0.00 C ATOM 824 O PRO A 53 -5.335 21.226 7.194 1.00 0.00 O ATOM 825 CB PRO A 53 -3.053 22.220 4.870 1.00 0.00 C ATOM 826 CG PRO A 53 -2.820 22.267 3.363 1.00 0.00 C ATOM 827 CD PRO A 53 -4.234 22.362 2.792 1.00 0.00 C ATOM 0 HA PRO A 53 -4.233 20.401 5.171 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.113 23.221 5.298 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.245 21.700 5.385 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.212 23.125 3.076 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.302 21.376 3.008 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.531 23.402 2.654 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.294 21.881 1.816 1.00 0.00 H new ATOM 835 N ARG A 54 -5.659 23.204 6.148 1.00 0.00 N ATOM 836 CA ARG A 54 -6.424 23.861 7.201 1.00 0.00 C ATOM 837 C ARG A 54 -7.137 25.121 6.692 1.00 0.00 C ATOM 838 O ARG A 54 -8.202 25.463 7.205 1.00 0.00 O ATOM 839 CB ARG A 54 -5.567 24.140 8.453 1.00 0.00 C ATOM 840 CG ARG A 54 -4.075 24.456 8.248 1.00 0.00 C ATOM 841 CD ARG A 54 -3.796 25.667 7.355 1.00 0.00 C ATOM 842 NE ARG A 54 -2.380 26.051 7.416 1.00 0.00 N ATOM 843 CZ ARG A 54 -1.798 26.957 6.614 1.00 0.00 C ATOM 844 NH1 ARG A 54 -2.501 27.587 5.663 1.00 0.00 N ATOM 845 NH2 ARG A 54 -0.497 27.238 6.769 1.00 0.00 N ATOM 0 H ARG A 54 -5.523 23.796 5.328 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.203 23.163 7.508 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.016 24.978 8.986 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.638 23.271 9.107 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.616 24.626 9.222 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.588 23.582 7.815 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.069 25.435 6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.418 26.506 7.669 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.796 25.597 8.118 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.492 27.381 5.541 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.045 28.273 5.061 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.044 26.765 7.492 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.048 27.925 6.163 1.00 0.00 H new ATOM 859 N ARG A 55 -6.565 25.805 5.693 1.00 0.00 N ATOM 860 CA ARG A 55 -7.100 27.003 5.064 1.00 0.00 C ATOM 861 C ARG A 55 -6.806 26.913 3.567 1.00 0.00 C ATOM 862 O ARG A 55 -7.586 27.512 2.796 1.00 0.00 O ATOM 863 CB ARG A 55 -6.440 28.255 5.657 1.00 0.00 C ATOM 864 CG ARG A 55 -6.830 28.491 7.123 1.00 0.00 C ATOM 865 CD ARG A 55 -6.084 29.699 7.697 1.00 0.00 C ATOM 866 NE ARG A 55 -4.646 29.427 7.809 1.00 0.00 N ATOM 867 CZ ARG A 55 -3.709 30.299 8.212 1.00 0.00 C ATOM 868 NH1 ARG A 55 -4.040 31.554 8.547 1.00 0.00 N ATOM 869 NH2 ARG A 55 -2.432 29.905 8.278 1.00 0.00 N ATOM 870 OXT ARG A 55 -5.805 26.244 3.220 1.00 0.00 O ATOM 0 H ARG A 55 -5.674 25.518 5.287 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.174 27.075 5.238 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.357 28.159 5.584 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.723 29.125 5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.905 28.654 7.196 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.601 27.603 7.712 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.244 30.567 7.058 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.488 29.947 8.678 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.330 28.490 7.558 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.013 31.855 8.497 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.319 32.208 8.852 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.179 28.950 8.023 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.711 30.559 8.583 1.00 0.00 H new TER 883 ARG A 55