USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 401 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 8 LYS NZ :NH3+ -175:sc= 2.57 (180deg=1.49) USER MOD Set 1.2: A 39 ASN : amide:sc= 0.434 K(o=3,f=-11!) USER MOD Set 2.1: A 7 LYS NZ :NH3+ -125:sc= 1.44 (180deg=-0.801) USER MOD Set 2.2: A 20 TYR OH : rot 165:sc= 2.07 USER MOD Single : A 1 SER N :NH3+ 154:sc= 0.648 (180deg=0.129) USER MOD Single : A 1 SER OG : rot 180:sc= 0.162 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00541) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -32:sc= 0.587 USER MOD Single : A 25 THR OG1 : rot -40:sc= 0.742 USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 1.73 (180deg=0.818) USER MOD Single : A 29 THR OG1 : rot 81:sc=-0.00988 USER MOD Single : A 33 TYR OH : rot -45:sc= 1.2 USER MOD Single : A 41 ASN : amide:sc= -0.898 K(o=-0.9,f=-5.3!) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.261 F(o=-1,f=-0.26) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.803 USER MOD Single : A 47 HIS : no HD1:sc= -0.0457 X(o=-0.046,f=0) USER MOD Single : A 48 GLN : amide:sc= 0.941 K(o=0.94,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.253 1.172 4.788 1.00 2.20 N ATOM 2 CA SER A 1 -12.720 0.470 3.615 1.00 1.57 C ATOM 3 C SER A 1 -11.219 0.713 3.525 1.00 1.19 C ATOM 4 O SER A 1 -10.769 1.749 4.011 1.00 1.20 O ATOM 5 CB SER A 1 -13.467 0.993 2.386 1.00 1.84 C ATOM 6 OG SER A 1 -14.783 1.293 2.825 1.00 2.99 O ATOM 0 H1 SER A 1 -14.258 1.391 4.634 1.00 2.20 H new ATOM 0 H2 SER A 1 -13.155 0.567 5.629 1.00 2.20 H new ATOM 0 H3 SER A 1 -12.724 2.056 4.934 1.00 2.20 H new ATOM 0 HA SER A 1 -12.867 -0.608 3.684 1.00 1.57 H new ATOM 0 HB2 SER A 1 -12.979 1.880 1.981 1.00 1.84 H new ATOM 0 HB3 SER A 1 -13.482 0.247 1.592 1.00 1.84 H new ATOM 0 HG SER A 1 -15.309 1.636 2.072 1.00 2.99 H new ATOM 14 N ILE A 2 -10.466 -0.206 2.917 1.00 1.08 N ATOM 15 CA ILE A 2 -9.001 -0.192 2.908 1.00 1.05 C ATOM 16 C ILE A 2 -8.408 0.917 2.022 1.00 0.91 C ATOM 17 O ILE A 2 -7.204 1.168 2.031 1.00 1.15 O ATOM 18 CB ILE A 2 -8.479 -1.594 2.559 1.00 1.06 C ATOM 19 CG1 ILE A 2 -8.869 -2.021 1.132 1.00 0.94 C ATOM 20 CG2 ILE A 2 -9.005 -2.593 3.605 1.00 1.42 C ATOM 21 CD1 ILE A 2 -8.309 -3.399 0.772 1.00 1.86 C ATOM 0 H ILE A 2 -10.864 -0.995 2.408 1.00 1.08 H new ATOM 0 HA ILE A 2 -8.656 0.061 3.910 1.00 1.05 H new ATOM 0 HB ILE A 2 -7.389 -1.578 2.582 1.00 1.06 H new ATOM 0 HG12 ILE A 2 -9.955 -2.037 1.042 1.00 0.94 H new ATOM 0 HG13 ILE A 2 -8.501 -1.283 0.419 1.00 0.94 H new ATOM 0 HG21 ILE A 2 -8.641 -3.593 3.368 1.00 1.42 H new ATOM 0 HG22 ILE A 2 -8.652 -2.303 4.595 1.00 1.42 H new ATOM 0 HG23 ILE A 2 -10.095 -2.591 3.594 1.00 1.42 H new ATOM 0 HD11 ILE A 2 -8.609 -3.660 -0.243 1.00 1.86 H new ATOM 0 HD12 ILE A 2 -7.221 -3.377 0.835 1.00 1.86 H new ATOM 0 HD13 ILE A 2 -8.698 -4.143 1.467 1.00 1.86 H new ATOM 33 N CYS A 3 -9.267 1.636 1.299 1.00 0.90 N ATOM 34 CA CYS A 3 -8.937 2.947 0.755 1.00 0.98 C ATOM 35 C CYS A 3 -8.499 3.891 1.880 1.00 0.91 C ATOM 36 O CYS A 3 -7.583 4.684 1.703 1.00 1.02 O ATOM 37 CB CYS A 3 -10.167 3.554 0.070 1.00 1.18 C ATOM 38 SG CYS A 3 -10.897 2.687 -1.340 1.00 1.48 S ATOM 0 H CYS A 3 -10.212 1.323 1.076 1.00 0.90 H new ATOM 0 HA CYS A 3 -8.128 2.825 0.035 1.00 0.98 H new ATOM 0 HB2 CYS A 3 -10.944 3.666 0.826 1.00 1.18 H new ATOM 0 HB3 CYS A 3 -9.898 4.557 -0.262 1.00 1.18 H new ATOM 43 N SER A 4 -9.198 3.833 3.019 1.00 0.90 N ATOM 44 CA SER A 4 -9.021 4.741 4.146 1.00 0.94 C ATOM 45 C SER A 4 -7.808 4.364 5.001 1.00 0.79 C ATOM 46 O SER A 4 -7.209 5.228 5.636 1.00 0.85 O ATOM 47 CB SER A 4 -10.311 4.778 4.984 1.00 1.14 C ATOM 48 OG SER A 4 -10.630 6.093 5.390 1.00 1.73 O ATOM 0 H SER A 4 -9.921 3.132 3.182 1.00 0.90 H new ATOM 0 HA SER A 4 -8.823 5.739 3.756 1.00 0.94 H new ATOM 0 HB2 SER A 4 -11.136 4.366 4.402 1.00 1.14 H new ATOM 0 HB3 SER A 4 -10.193 4.144 5.863 1.00 1.14 H new ATOM 0 HG SER A 4 -11.455 6.081 5.919 1.00 1.73 H new ATOM 54 N GLU A 5 -7.432 3.080 5.019 1.00 0.72 N ATOM 55 CA GLU A 5 -6.129 2.705 5.556 1.00 0.62 C ATOM 56 C GLU A 5 -5.071 3.464 4.738 1.00 0.73 C ATOM 57 O GLU A 5 -5.235 3.553 3.525 1.00 1.04 O ATOM 58 CB GLU A 5 -5.883 1.208 5.364 1.00 0.75 C ATOM 59 CG GLU A 5 -6.484 0.223 6.367 1.00 0.96 C ATOM 60 CD GLU A 5 -6.064 -1.200 5.995 1.00 2.01 C ATOM 61 OE1 GLU A 5 -5.001 -1.339 5.345 1.00 3.18 O ATOM 62 OE2 GLU A 5 -6.791 -2.147 6.347 1.00 2.79 O ATOM 0 H GLU A 5 -7.998 2.304 4.676 1.00 0.72 H new ATOM 0 HA GLU A 5 -6.083 2.942 6.619 1.00 0.62 H new ATOM 0 HB2 GLU A 5 -6.254 0.938 4.375 1.00 0.75 H new ATOM 0 HB3 GLU A 5 -4.804 1.050 5.354 1.00 0.75 H new ATOM 0 HG2 GLU A 5 -6.146 0.462 7.375 1.00 0.96 H new ATOM 0 HG3 GLU A 5 -7.571 0.305 6.367 1.00 0.96 H new ATOM 69 N PRO A 6 -4.004 4.004 5.345 1.00 0.79 N ATOM 70 CA PRO A 6 -2.963 4.715 4.623 1.00 0.97 C ATOM 71 C PRO A 6 -1.719 3.834 4.452 1.00 0.89 C ATOM 72 O PRO A 6 -1.689 2.680 4.889 1.00 0.93 O ATOM 73 CB PRO A 6 -2.654 5.893 5.551 1.00 1.24 C ATOM 74 CG PRO A 6 -2.716 5.228 6.930 1.00 1.22 C ATOM 75 CD PRO A 6 -3.832 4.187 6.776 1.00 0.94 C ATOM 0 HA PRO A 6 -3.263 5.013 3.618 1.00 0.97 H new ATOM 0 HB2 PRO A 6 -1.674 6.327 5.350 1.00 1.24 H new ATOM 0 HB3 PRO A 6 -3.385 6.696 5.451 1.00 1.24 H new ATOM 0 HG2 PRO A 6 -1.766 4.762 7.194 1.00 1.22 H new ATOM 0 HG3 PRO A 6 -2.946 5.950 7.714 1.00 1.22 H new ATOM 0 HD2 PRO A 6 -3.562 3.249 7.261 1.00 0.94 H new ATOM 0 HD3 PRO A 6 -4.756 4.532 7.241 1.00 0.94 H new ATOM 83 N LYS A 7 -0.656 4.413 3.876 1.00 0.93 N ATOM 84 CA LYS A 7 0.664 3.800 3.879 1.00 0.82 C ATOM 85 C LYS A 7 1.047 3.448 5.310 1.00 0.70 C ATOM 86 O LYS A 7 0.986 4.284 6.210 1.00 0.77 O ATOM 87 CB LYS A 7 1.702 4.758 3.266 1.00 0.90 C ATOM 88 CG LYS A 7 3.148 4.271 3.287 1.00 0.85 C ATOM 89 CD LYS A 7 4.170 5.415 3.113 1.00 1.61 C ATOM 90 CE LYS A 7 3.938 6.319 1.887 1.00 2.55 C ATOM 91 NZ LYS A 7 2.992 7.427 2.146 1.00 2.76 N ATOM 0 H LYS A 7 -0.694 5.314 3.400 1.00 0.93 H new ATOM 0 HA LYS A 7 0.643 2.892 3.276 1.00 0.82 H new ATOM 0 HB2 LYS A 7 1.420 4.956 2.232 1.00 0.90 H new ATOM 0 HB3 LYS A 7 1.651 5.708 3.798 1.00 0.90 H new ATOM 0 HG2 LYS A 7 3.340 3.759 4.230 1.00 0.85 H new ATOM 0 HG3 LYS A 7 3.291 3.539 2.492 1.00 0.85 H new ATOM 0 HD2 LYS A 7 4.154 6.034 4.010 1.00 1.61 H new ATOM 0 HD3 LYS A 7 5.168 4.982 3.042 1.00 1.61 H new ATOM 0 HE2 LYS A 7 4.893 6.734 1.565 1.00 2.55 H new ATOM 0 HE3 LYS A 7 3.560 5.713 1.064 1.00 2.55 H new ATOM 0 HZ1 LYS A 7 2.222 7.397 1.448 1.00 2.76 H new ATOM 0 HZ2 LYS A 7 2.596 7.329 3.103 1.00 2.76 H new ATOM 0 HZ3 LYS A 7 3.492 8.336 2.070 1.00 2.76 H new ATOM 105 N LYS A 8 1.523 2.219 5.479 1.00 0.71 N ATOM 106 CA LYS A 8 2.092 1.719 6.708 1.00 0.75 C ATOM 107 C LYS A 8 3.061 0.625 6.291 1.00 0.75 C ATOM 108 O LYS A 8 2.723 -0.155 5.403 1.00 1.02 O ATOM 109 CB LYS A 8 0.969 1.243 7.643 1.00 1.01 C ATOM 110 CG LYS A 8 0.101 0.068 7.175 1.00 1.26 C ATOM 111 CD LYS A 8 0.293 -1.191 8.044 1.00 2.02 C ATOM 112 CE LYS A 8 1.552 -2.012 7.754 1.00 3.93 C ATOM 113 NZ LYS A 8 1.689 -2.369 6.325 1.00 4.92 N ATOM 0 H LYS A 8 1.519 1.525 4.732 1.00 0.71 H new ATOM 0 HA LYS A 8 2.631 2.474 7.280 1.00 0.75 H new ATOM 0 HB2 LYS A 8 1.420 0.968 8.596 1.00 1.01 H new ATOM 0 HB3 LYS A 8 0.311 2.090 7.835 1.00 1.01 H new ATOM 0 HG2 LYS A 8 -0.948 0.364 7.197 1.00 1.26 H new ATOM 0 HG3 LYS A 8 0.344 -0.169 6.139 1.00 1.26 H new ATOM 0 HD2 LYS A 8 0.312 -0.888 9.091 1.00 2.02 H new ATOM 0 HD3 LYS A 8 -0.577 -1.835 7.915 1.00 2.02 H new ATOM 0 HE2 LYS A 8 2.429 -1.446 8.068 1.00 3.93 H new ATOM 0 HE3 LYS A 8 1.531 -2.924 8.351 1.00 3.93 H new ATOM 0 HZ1 LYS A 8 2.511 -2.994 6.201 1.00 4.92 H new ATOM 0 HZ2 LYS A 8 0.829 -2.860 6.006 1.00 4.92 H new ATOM 0 HZ3 LYS A 8 1.823 -1.505 5.763 1.00 4.92 H new ATOM 127 N VAL A 9 4.258 0.563 6.872 1.00 0.65 N ATOM 128 CA VAL A 9 5.278 -0.382 6.432 1.00 0.68 C ATOM 129 C VAL A 9 4.892 -1.789 6.906 1.00 1.03 C ATOM 130 O VAL A 9 4.450 -2.624 6.110 1.00 1.60 O ATOM 131 CB VAL A 9 6.664 0.087 6.917 1.00 0.71 C ATOM 132 CG1 VAL A 9 7.763 -0.857 6.421 1.00 0.83 C ATOM 133 CG2 VAL A 9 6.975 1.501 6.406 1.00 0.86 C ATOM 0 H VAL A 9 4.544 1.158 7.650 1.00 0.65 H new ATOM 0 HA VAL A 9 5.339 -0.423 5.344 1.00 0.68 H new ATOM 0 HB VAL A 9 6.640 0.087 8.007 1.00 0.71 H new ATOM 0 HG11 VAL A 9 8.732 -0.506 6.776 1.00 0.83 H new ATOM 0 HG12 VAL A 9 7.579 -1.861 6.802 1.00 0.83 H new ATOM 0 HG13 VAL A 9 7.761 -0.877 5.331 1.00 0.83 H new ATOM 0 HG21 VAL A 9 7.958 1.808 6.762 1.00 0.86 H new ATOM 0 HG22 VAL A 9 6.966 1.504 5.316 1.00 0.86 H new ATOM 0 HG23 VAL A 9 6.221 2.196 6.777 1.00 0.86 H new ATOM 143 N GLY A 10 4.989 -2.034 8.214 1.00 1.08 N ATOM 144 CA GLY A 10 4.754 -3.326 8.845 1.00 1.56 C ATOM 145 C GLY A 10 5.765 -3.527 9.971 1.00 1.38 C ATOM 146 O GLY A 10 6.641 -2.688 10.168 1.00 1.78 O ATOM 0 H GLY A 10 5.243 -1.308 8.884 1.00 1.08 H new ATOM 0 HA2 GLY A 10 3.739 -3.372 9.239 1.00 1.56 H new ATOM 0 HA3 GLY A 10 4.847 -4.125 8.110 1.00 1.56 H new ATOM 150 N ARG A 11 5.682 -4.649 10.691 1.00 1.76 N ATOM 151 CA ARG A 11 6.611 -4.984 11.773 1.00 1.89 C ATOM 152 C ARG A 11 7.933 -5.530 11.205 1.00 1.47 C ATOM 153 O ARG A 11 8.511 -6.456 11.765 1.00 1.80 O ATOM 154 CB ARG A 11 5.945 -6.020 12.697 1.00 2.62 C ATOM 155 CG ARG A 11 4.694 -5.491 13.418 1.00 3.02 C ATOM 156 CD ARG A 11 5.033 -4.684 14.679 1.00 3.34 C ATOM 157 NE ARG A 11 5.620 -5.543 15.722 1.00 3.83 N ATOM 158 CZ ARG A 11 5.932 -5.149 16.968 1.00 4.59 C ATOM 159 NH1 ARG A 11 5.742 -3.876 17.330 1.00 5.21 N ATOM 160 NH2 ARG A 11 6.428 -6.030 17.845 1.00 5.55 N ATOM 0 H ARG A 11 4.963 -5.356 10.538 1.00 1.76 H new ATOM 0 HA ARG A 11 6.845 -4.085 12.344 1.00 1.89 H new ATOM 0 HB2 ARG A 11 5.671 -6.896 12.109 1.00 2.62 H new ATOM 0 HB3 ARG A 11 6.670 -6.350 13.441 1.00 2.62 H new ATOM 0 HG2 ARG A 11 4.123 -4.864 12.733 1.00 3.02 H new ATOM 0 HG3 ARG A 11 4.054 -6.331 13.690 1.00 3.02 H new ATOM 0 HD2 ARG A 11 5.731 -3.886 14.426 1.00 3.34 H new ATOM 0 HD3 ARG A 11 4.131 -4.208 15.062 1.00 3.34 H new ATOM 0 HE ARG A 11 5.805 -6.516 15.478 1.00 3.83 H new ATOM 0 HH11 ARG A 11 5.361 -3.207 16.661 1.00 5.21 H new ATOM 0 HH12 ARG A 11 5.978 -3.574 18.275 1.00 5.21 H new ATOM 0 HH21 ARG A 11 6.569 -7.001 17.568 1.00 5.55 H new ATOM 0 HH22 ARG A 11 6.665 -5.730 18.791 1.00 5.55 H new ATOM 174 N CYS A 12 8.392 -4.976 10.080 1.00 1.27 N ATOM 175 CA CYS A 12 9.450 -5.502 9.228 1.00 1.04 C ATOM 176 C CYS A 12 9.828 -4.358 8.294 1.00 1.36 C ATOM 177 O CYS A 12 9.036 -3.429 8.140 1.00 1.78 O ATOM 178 CB CYS A 12 8.929 -6.689 8.408 1.00 1.19 C ATOM 179 SG CYS A 12 8.737 -8.258 9.287 1.00 1.72 S ATOM 0 H CYS A 12 8.011 -4.100 9.723 1.00 1.27 H new ATOM 0 HA CYS A 12 10.300 -5.853 9.813 1.00 1.04 H new ATOM 0 HB2 CYS A 12 7.962 -6.414 7.987 1.00 1.19 H new ATOM 0 HB3 CYS A 12 9.608 -6.849 7.570 1.00 1.19 H new ATOM 184 N LYS A 13 11.025 -4.384 7.703 1.00 1.58 N ATOM 185 CA LYS A 13 11.537 -3.296 6.880 1.00 2.14 C ATOM 186 C LYS A 13 12.266 -3.849 5.650 1.00 1.83 C ATOM 187 O LYS A 13 13.319 -3.337 5.274 1.00 2.71 O ATOM 188 CB LYS A 13 12.468 -2.422 7.740 1.00 2.94 C ATOM 189 CG LYS A 13 11.716 -1.618 8.812 1.00 3.88 C ATOM 190 CD LYS A 13 12.667 -0.871 9.762 1.00 4.32 C ATOM 191 CE LYS A 13 13.740 -0.015 9.070 1.00 4.99 C ATOM 192 NZ LYS A 13 13.171 0.942 8.100 1.00 6.20 N ATOM 0 H LYS A 13 11.669 -5.171 7.786 1.00 1.58 H new ATOM 0 HA LYS A 13 10.711 -2.685 6.516 1.00 2.14 H new ATOM 0 HB2 LYS A 13 13.209 -3.058 8.224 1.00 2.94 H new ATOM 0 HB3 LYS A 13 13.012 -1.734 7.093 1.00 2.94 H new ATOM 0 HG2 LYS A 13 11.055 -0.900 8.326 1.00 3.88 H new ATOM 0 HG3 LYS A 13 11.085 -2.292 9.391 1.00 3.88 H new ATOM 0 HD2 LYS A 13 12.074 -0.227 10.412 1.00 4.32 H new ATOM 0 HD3 LYS A 13 13.163 -1.601 10.402 1.00 4.32 H new ATOM 0 HE2 LYS A 13 14.304 0.532 9.825 1.00 4.99 H new ATOM 0 HE3 LYS A 13 14.445 -0.669 8.557 1.00 4.99 H new ATOM 0 HZ1 LYS A 13 13.935 1.515 7.689 1.00 6.20 H new ATOM 0 HZ2 LYS A 13 12.684 0.421 7.343 1.00 6.20 H new ATOM 0 HZ3 LYS A 13 12.493 1.565 8.584 1.00 6.20 H new ATOM 206 N GLY A 14 11.722 -4.887 5.010 1.00 1.01 N ATOM 207 CA GLY A 14 12.287 -5.366 3.758 1.00 0.83 C ATOM 208 C GLY A 14 12.016 -4.357 2.643 1.00 0.85 C ATOM 209 O GLY A 14 11.022 -3.634 2.681 1.00 1.36 O ATOM 0 H GLY A 14 10.904 -5.401 5.336 1.00 1.01 H new ATOM 0 HA2 GLY A 14 13.361 -5.519 3.869 1.00 0.83 H new ATOM 0 HA3 GLY A 14 11.853 -6.332 3.499 1.00 0.83 H new ATOM 213 N TYR A 15 12.880 -4.308 1.629 1.00 0.91 N ATOM 214 CA TYR A 15 12.686 -3.404 0.505 1.00 0.88 C ATOM 215 C TYR A 15 11.713 -4.041 -0.484 1.00 0.74 C ATOM 216 O TYR A 15 12.101 -4.499 -1.555 1.00 0.88 O ATOM 217 CB TYR A 15 14.029 -3.033 -0.133 1.00 0.99 C ATOM 218 CG TYR A 15 13.901 -2.066 -1.299 1.00 1.01 C ATOM 219 CD1 TYR A 15 13.432 -0.757 -1.075 1.00 1.03 C ATOM 220 CD2 TYR A 15 14.109 -2.513 -2.618 1.00 1.09 C ATOM 221 CE1 TYR A 15 13.127 0.080 -2.163 1.00 1.15 C ATOM 222 CE2 TYR A 15 13.799 -1.677 -3.704 1.00 1.14 C ATOM 223 CZ TYR A 15 13.293 -0.388 -3.477 1.00 1.17 C ATOM 224 OH TYR A 15 12.939 0.394 -4.536 1.00 1.35 O ATOM 0 H TYR A 15 13.719 -4.885 1.567 1.00 0.91 H new ATOM 0 HA TYR A 15 12.248 -2.467 0.848 1.00 0.88 H new ATOM 0 HB2 TYR A 15 14.673 -2.590 0.627 1.00 0.99 H new ATOM 0 HB3 TYR A 15 14.522 -3.942 -0.478 1.00 0.99 H new ATOM 0 HD1 TYR A 15 13.306 -0.395 -0.065 1.00 1.03 H new ATOM 0 HD2 TYR A 15 14.508 -3.501 -2.795 1.00 1.09 H new ATOM 0 HE1 TYR A 15 12.765 1.082 -1.988 1.00 1.15 H new ATOM 0 HE2 TYR A 15 13.950 -2.027 -4.714 1.00 1.14 H new ATOM 0 HH TYR A 15 13.122 -0.084 -5.372 1.00 1.35 H new ATOM 234 N PHE A 16 10.433 -4.049 -0.112 1.00 0.58 N ATOM 235 CA PHE A 16 9.349 -4.456 -0.997 1.00 0.52 C ATOM 236 C PHE A 16 8.621 -3.205 -1.491 1.00 0.54 C ATOM 237 O PHE A 16 7.690 -2.761 -0.822 1.00 0.49 O ATOM 238 CB PHE A 16 8.391 -5.404 -0.268 1.00 0.55 C ATOM 239 CG PHE A 16 9.039 -6.705 0.161 1.00 0.54 C ATOM 240 CD1 PHE A 16 9.172 -7.757 -0.764 1.00 0.67 C ATOM 241 CD2 PHE A 16 9.572 -6.840 1.456 1.00 0.65 C ATOM 242 CE1 PHE A 16 9.813 -8.950 -0.389 1.00 0.79 C ATOM 243 CE2 PHE A 16 10.213 -8.035 1.830 1.00 0.72 C ATOM 244 CZ PHE A 16 10.328 -9.092 0.911 1.00 0.75 C ATOM 0 H PHE A 16 10.120 -3.771 0.818 1.00 0.58 H new ATOM 0 HA PHE A 16 9.752 -4.996 -1.854 1.00 0.52 H new ATOM 0 HB2 PHE A 16 7.992 -4.899 0.611 1.00 0.55 H new ATOM 0 HB3 PHE A 16 7.546 -5.626 -0.920 1.00 0.55 H new ATOM 0 HD1 PHE A 16 8.781 -7.647 -1.765 1.00 0.67 H new ATOM 0 HD2 PHE A 16 9.489 -6.027 2.162 1.00 0.65 H new ATOM 0 HE1 PHE A 16 9.910 -9.758 -1.100 1.00 0.79 H new ATOM 0 HE2 PHE A 16 10.618 -8.140 2.826 1.00 0.72 H new ATOM 0 HZ PHE A 16 10.812 -10.012 1.203 1.00 0.75 H new ATOM 254 N PRO A 17 9.009 -2.607 -2.629 1.00 0.65 N ATOM 255 CA PRO A 17 8.238 -1.520 -3.206 1.00 0.64 C ATOM 256 C PRO A 17 6.849 -2.050 -3.587 1.00 0.64 C ATOM 257 O PRO A 17 6.739 -3.021 -4.331 1.00 0.78 O ATOM 258 CB PRO A 17 9.045 -1.029 -4.412 1.00 0.75 C ATOM 259 CG PRO A 17 9.869 -2.250 -4.816 1.00 0.85 C ATOM 260 CD PRO A 17 10.132 -2.957 -3.486 1.00 0.79 C ATOM 0 HA PRO A 17 8.074 -0.689 -2.520 1.00 0.64 H new ATOM 0 HB2 PRO A 17 8.394 -0.699 -5.222 1.00 0.75 H new ATOM 0 HB3 PRO A 17 9.682 -0.184 -4.151 1.00 0.75 H new ATOM 0 HG2 PRO A 17 9.325 -2.890 -5.510 1.00 0.85 H new ATOM 0 HG3 PRO A 17 10.798 -1.963 -5.309 1.00 0.85 H new ATOM 0 HD2 PRO A 17 10.200 -4.036 -3.622 1.00 0.79 H new ATOM 0 HD3 PRO A 17 11.076 -2.631 -3.049 1.00 0.79 H new ATOM 268 N ARG A 18 5.799 -1.436 -3.042 1.00 0.53 N ATOM 269 CA ARG A 18 4.400 -1.757 -3.281 1.00 0.51 C ATOM 270 C ARG A 18 3.668 -0.459 -3.607 1.00 0.43 C ATOM 271 O ARG A 18 4.251 0.622 -3.531 1.00 0.40 O ATOM 272 CB ARG A 18 3.800 -2.390 -2.014 1.00 0.53 C ATOM 273 CG ARG A 18 4.203 -3.857 -1.822 1.00 0.59 C ATOM 274 CD ARG A 18 3.257 -4.702 -2.672 1.00 0.44 C ATOM 275 NE ARG A 18 3.492 -6.145 -2.587 1.00 1.01 N ATOM 276 CZ ARG A 18 2.824 -6.994 -1.792 1.00 2.28 C ATOM 277 NH1 ARG A 18 2.200 -6.527 -0.706 1.00 3.48 N ATOM 278 NH2 ARG A 18 2.763 -8.291 -2.096 1.00 3.08 N ATOM 0 H ARG A 18 5.912 -0.661 -2.388 1.00 0.53 H new ATOM 0 HA ARG A 18 4.302 -2.461 -4.107 1.00 0.51 H new ATOM 0 HB2 ARG A 18 4.118 -1.816 -1.144 1.00 0.53 H new ATOM 0 HB3 ARG A 18 2.713 -2.322 -2.061 1.00 0.53 H new ATOM 0 HG2 ARG A 18 5.238 -4.014 -2.127 1.00 0.59 H new ATOM 0 HG3 ARG A 18 4.133 -4.141 -0.772 1.00 0.59 H new ATOM 0 HD2 ARG A 18 2.231 -4.495 -2.367 1.00 0.44 H new ATOM 0 HD3 ARG A 18 3.349 -4.392 -3.713 1.00 0.44 H new ATOM 0 HE ARG A 18 4.223 -6.536 -3.181 1.00 1.01 H new ATOM 0 HH11 ARG A 18 2.234 -5.531 -0.487 1.00 3.48 H new ATOM 0 HH12 ARG A 18 1.690 -7.166 -0.096 1.00 3.48 H new ATOM 0 HH21 ARG A 18 3.225 -8.640 -2.935 1.00 3.08 H new ATOM 0 HH22 ARG A 18 2.254 -8.934 -1.489 1.00 3.08 H new ATOM 292 N PHE A 19 2.380 -0.566 -3.930 1.00 0.45 N ATOM 293 CA PHE A 19 1.479 0.552 -4.120 1.00 0.39 C ATOM 294 C PHE A 19 0.503 0.586 -2.959 1.00 0.47 C ATOM 295 O PHE A 19 0.144 -0.458 -2.420 1.00 0.60 O ATOM 296 CB PHE A 19 0.722 0.409 -5.442 1.00 0.30 C ATOM 297 CG PHE A 19 1.484 0.973 -6.621 1.00 0.27 C ATOM 298 CD1 PHE A 19 2.513 0.221 -7.217 1.00 0.36 C ATOM 299 CD2 PHE A 19 1.216 2.278 -7.075 1.00 0.29 C ATOM 300 CE1 PHE A 19 3.241 0.756 -8.293 1.00 0.44 C ATOM 301 CE2 PHE A 19 1.960 2.821 -8.136 1.00 0.37 C ATOM 302 CZ PHE A 19 2.962 2.054 -8.756 1.00 0.43 C ATOM 0 H PHE A 19 1.927 -1.469 -4.070 1.00 0.45 H new ATOM 0 HA PHE A 19 2.048 1.481 -4.156 1.00 0.39 H new ATOM 0 HB2 PHE A 19 0.512 -0.645 -5.622 1.00 0.30 H new ATOM 0 HB3 PHE A 19 -0.239 0.916 -5.361 1.00 0.30 H new ATOM 0 HD1 PHE A 19 2.743 -0.767 -6.847 1.00 0.36 H new ATOM 0 HD2 PHE A 19 0.438 2.863 -6.607 1.00 0.29 H new ATOM 0 HE1 PHE A 19 4.016 0.170 -8.765 1.00 0.44 H new ATOM 0 HE2 PHE A 19 1.762 3.827 -8.475 1.00 0.37 H new ATOM 0 HZ PHE A 19 3.517 2.462 -9.588 1.00 0.43 H new ATOM 312 N TYR A 20 0.052 1.779 -2.589 1.00 0.45 N ATOM 313 CA TYR A 20 -1.005 1.983 -1.625 1.00 0.53 C ATOM 314 C TYR A 20 -1.989 2.969 -2.234 1.00 0.42 C ATOM 315 O TYR A 20 -1.596 3.774 -3.082 1.00 0.35 O ATOM 316 CB TYR A 20 -0.415 2.487 -0.310 1.00 0.74 C ATOM 317 CG TYR A 20 -0.044 3.956 -0.246 1.00 0.68 C ATOM 318 CD1 TYR A 20 1.142 4.394 -0.853 1.00 0.72 C ATOM 319 CD2 TYR A 20 -0.817 4.863 0.504 1.00 0.68 C ATOM 320 CE1 TYR A 20 1.554 5.729 -0.721 1.00 0.77 C ATOM 321 CE2 TYR A 20 -0.381 6.189 0.668 1.00 0.76 C ATOM 322 CZ TYR A 20 0.769 6.637 0.001 1.00 0.81 C ATOM 323 OH TYR A 20 1.253 7.891 0.234 1.00 0.93 O ATOM 0 H TYR A 20 0.426 2.650 -2.966 1.00 0.45 H new ATOM 0 HA TYR A 20 -1.527 1.054 -1.396 1.00 0.53 H new ATOM 0 HB2 TYR A 20 -1.133 2.283 0.485 1.00 0.74 H new ATOM 0 HB3 TYR A 20 0.478 1.901 -0.092 1.00 0.74 H new ATOM 0 HD1 TYR A 20 1.741 3.701 -1.425 1.00 0.72 H new ATOM 0 HD2 TYR A 20 -1.745 4.540 0.953 1.00 0.68 H new ATOM 0 HE1 TYR A 20 2.477 6.056 -1.176 1.00 0.77 H new ATOM 0 HE2 TYR A 20 -0.931 6.863 1.308 1.00 0.76 H new ATOM 0 HH TYR A 20 0.522 8.475 0.527 1.00 0.93 H new ATOM 333 N PHE A 21 -3.253 2.907 -1.816 1.00 0.49 N ATOM 334 CA PHE A 21 -4.194 3.960 -2.153 1.00 0.38 C ATOM 335 C PHE A 21 -3.971 5.068 -1.137 1.00 0.32 C ATOM 336 O PHE A 21 -4.321 4.904 0.032 1.00 0.38 O ATOM 337 CB PHE A 21 -5.645 3.475 -2.141 1.00 0.43 C ATOM 338 CG PHE A 21 -6.598 4.556 -2.613 1.00 0.52 C ATOM 339 CD1 PHE A 21 -6.799 4.767 -3.991 1.00 0.88 C ATOM 340 CD2 PHE A 21 -7.193 5.429 -1.683 1.00 0.64 C ATOM 341 CE1 PHE A 21 -7.635 5.807 -4.432 1.00 1.20 C ATOM 342 CE2 PHE A 21 -8.047 6.454 -2.122 1.00 0.83 C ATOM 343 CZ PHE A 21 -8.274 6.640 -3.497 1.00 1.07 C ATOM 0 H PHE A 21 -3.639 2.149 -1.253 1.00 0.49 H new ATOM 0 HA PHE A 21 -4.022 4.311 -3.171 1.00 0.38 H new ATOM 0 HB2 PHE A 21 -5.742 2.599 -2.782 1.00 0.43 H new ATOM 0 HB3 PHE A 21 -5.917 3.164 -1.132 1.00 0.43 H new ATOM 0 HD1 PHE A 21 -6.309 4.128 -4.711 1.00 0.88 H new ATOM 0 HD2 PHE A 21 -6.992 5.310 -0.628 1.00 0.64 H new ATOM 0 HE1 PHE A 21 -7.787 5.966 -5.489 1.00 1.20 H new ATOM 0 HE2 PHE A 21 -8.530 7.100 -1.403 1.00 0.83 H new ATOM 0 HZ PHE A 21 -8.938 7.422 -3.834 1.00 1.07 H new ATOM 353 N ASP A 22 -3.359 6.161 -1.580 1.00 0.33 N ATOM 354 CA ASP A 22 -3.199 7.363 -0.797 1.00 0.48 C ATOM 355 C ASP A 22 -4.520 8.120 -0.809 1.00 0.52 C ATOM 356 O ASP A 22 -4.941 8.607 -1.858 1.00 0.55 O ATOM 357 CB ASP A 22 -2.086 8.217 -1.402 1.00 0.57 C ATOM 358 CG ASP A 22 -1.865 9.431 -0.526 1.00 0.74 C ATOM 359 OD1 ASP A 22 -2.724 10.335 -0.615 1.00 2.10 O ATOM 360 OD2 ASP A 22 -0.863 9.418 0.221 1.00 1.22 O ATOM 0 H ASP A 22 -2.955 6.229 -2.514 1.00 0.33 H new ATOM 0 HA ASP A 22 -2.928 7.120 0.230 1.00 0.48 H new ATOM 0 HB2 ASP A 22 -1.167 7.637 -1.480 1.00 0.57 H new ATOM 0 HB3 ASP A 22 -2.355 8.526 -2.412 1.00 0.57 H new ATOM 365 N SER A 23 -5.178 8.209 0.348 1.00 0.69 N ATOM 366 CA SER A 23 -6.469 8.867 0.462 1.00 0.83 C ATOM 367 C SER A 23 -6.356 10.364 0.746 1.00 1.05 C ATOM 368 O SER A 23 -7.397 11.012 0.849 1.00 1.22 O ATOM 369 CB SER A 23 -7.324 8.173 1.529 1.00 0.96 C ATOM 370 OG SER A 23 -8.663 8.618 1.429 1.00 1.16 O ATOM 0 H SER A 23 -4.828 7.827 1.226 1.00 0.69 H new ATOM 0 HA SER A 23 -6.958 8.777 -0.508 1.00 0.83 H new ATOM 0 HB2 SER A 23 -7.279 7.092 1.398 1.00 0.96 H new ATOM 0 HB3 SER A 23 -6.931 8.391 2.522 1.00 0.96 H new ATOM 0 HG SER A 23 -8.676 9.549 1.125 1.00 1.16 H new ATOM 376 N GLU A 24 -5.146 10.917 0.872 1.00 1.18 N ATOM 377 CA GLU A 24 -4.967 12.337 1.088 1.00 1.49 C ATOM 378 C GLU A 24 -5.047 12.999 -0.288 1.00 1.43 C ATOM 379 O GLU A 24 -5.789 13.952 -0.512 1.00 1.72 O ATOM 380 CB GLU A 24 -3.592 12.542 1.735 1.00 1.65 C ATOM 381 CG GLU A 24 -3.551 12.057 3.192 1.00 1.90 C ATOM 382 CD GLU A 24 -4.534 12.796 4.090 1.00 3.94 C ATOM 383 OE1 GLU A 24 -4.424 14.040 4.141 1.00 5.21 O ATOM 384 OE2 GLU A 24 -5.372 12.103 4.705 1.00 4.74 O ATOM 0 H GLU A 24 -4.275 10.388 0.826 1.00 1.18 H new ATOM 0 HA GLU A 24 -5.721 12.771 1.744 1.00 1.49 H new ATOM 0 HB2 GLU A 24 -2.838 12.008 1.156 1.00 1.65 H new ATOM 0 HB3 GLU A 24 -3.331 13.600 1.700 1.00 1.65 H new ATOM 0 HG2 GLU A 24 -3.772 10.990 3.221 1.00 1.90 H new ATOM 0 HG3 GLU A 24 -2.542 12.185 3.584 1.00 1.90 H new ATOM 391 N THR A 25 -4.292 12.438 -1.232 1.00 1.10 N ATOM 392 CA THR A 25 -4.322 12.797 -2.637 1.00 1.04 C ATOM 393 C THR A 25 -5.521 12.133 -3.324 1.00 0.95 C ATOM 394 O THR A 25 -6.044 12.662 -4.309 1.00 1.10 O ATOM 395 CB THR A 25 -3.000 12.378 -3.295 1.00 0.90 C ATOM 396 OG1 THR A 25 -2.833 10.980 -3.213 1.00 0.74 O ATOM 397 CG2 THR A 25 -1.795 13.064 -2.645 1.00 1.05 C ATOM 0 H THR A 25 -3.622 11.697 -1.026 1.00 1.10 H new ATOM 0 HA THR A 25 -4.435 13.876 -2.741 1.00 1.04 H new ATOM 0 HB THR A 25 -3.050 12.688 -4.339 1.00 0.90 H new ATOM 0 HG1 THR A 25 -3.132 10.666 -2.334 1.00 0.74 H new ATOM 0 HG21 THR A 25 -0.880 12.739 -3.141 1.00 1.05 H new ATOM 0 HG22 THR A 25 -1.896 14.145 -2.741 1.00 1.05 H new ATOM 0 HG23 THR A 25 -1.750 12.797 -1.589 1.00 1.05 H new ATOM 405 N GLY A 26 -5.931 10.953 -2.847 1.00 0.78 N ATOM 406 CA GLY A 26 -6.980 10.151 -3.450 1.00 0.74 C ATOM 407 C GLY A 26 -6.457 9.539 -4.743 1.00 0.69 C ATOM 408 O GLY A 26 -6.994 9.826 -5.815 1.00 0.88 O ATOM 0 H GLY A 26 -5.529 10.527 -2.012 1.00 0.78 H new ATOM 0 HA2 GLY A 26 -7.295 9.366 -2.763 1.00 0.74 H new ATOM 0 HA3 GLY A 26 -7.856 10.768 -3.653 1.00 0.74 H new ATOM 412 N LYS A 27 -5.359 8.782 -4.675 1.00 0.66 N ATOM 413 CA LYS A 27 -4.706 8.178 -5.833 1.00 0.74 C ATOM 414 C LYS A 27 -3.853 6.988 -5.392 1.00 0.41 C ATOM 415 O LYS A 27 -3.511 6.865 -4.222 1.00 0.50 O ATOM 416 CB LYS A 27 -3.877 9.243 -6.578 1.00 1.19 C ATOM 417 CG LYS A 27 -4.565 9.705 -7.878 1.00 2.19 C ATOM 418 CD LYS A 27 -4.219 11.146 -8.291 1.00 2.53 C ATOM 419 CE LYS A 27 -4.651 12.223 -7.279 1.00 3.23 C ATOM 420 NZ LYS A 27 -6.070 12.121 -6.879 1.00 4.62 N ATOM 0 H LYS A 27 -4.892 8.569 -3.794 1.00 0.66 H new ATOM 0 HA LYS A 27 -5.457 7.800 -6.526 1.00 0.74 H new ATOM 0 HB2 LYS A 27 -3.720 10.102 -5.926 1.00 1.19 H new ATOM 0 HB3 LYS A 27 -2.893 8.837 -6.813 1.00 1.19 H new ATOM 0 HG2 LYS A 27 -4.284 9.029 -8.686 1.00 2.19 H new ATOM 0 HG3 LYS A 27 -5.645 9.623 -7.755 1.00 2.19 H new ATOM 0 HD2 LYS A 27 -3.142 11.218 -8.441 1.00 2.53 H new ATOM 0 HD3 LYS A 27 -4.690 11.358 -9.251 1.00 2.53 H new ATOM 0 HE2 LYS A 27 -4.025 12.147 -6.390 1.00 3.23 H new ATOM 0 HE3 LYS A 27 -4.473 13.208 -7.711 1.00 3.23 H new ATOM 0 HZ1 LYS A 27 -6.225 12.667 -6.007 1.00 4.62 H new ATOM 0 HZ2 LYS A 27 -6.672 12.500 -7.637 1.00 4.62 H new ATOM 0 HZ3 LYS A 27 -6.312 11.124 -6.711 1.00 4.62 H new ATOM 434 N CYS A 28 -3.516 6.106 -6.336 1.00 0.37 N ATOM 435 CA CYS A 28 -2.639 4.969 -6.101 1.00 0.33 C ATOM 436 C CYS A 28 -1.192 5.413 -6.271 1.00 0.37 C ATOM 437 O CYS A 28 -0.849 6.013 -7.289 1.00 0.56 O ATOM 438 CB CYS A 28 -2.985 3.838 -7.065 1.00 0.44 C ATOM 439 SG CYS A 28 -4.509 2.975 -6.642 1.00 0.58 S ATOM 0 H CYS A 28 -3.852 6.167 -7.297 1.00 0.37 H new ATOM 0 HA CYS A 28 -2.774 4.597 -5.086 1.00 0.33 H new ATOM 0 HB2 CYS A 28 -3.074 4.244 -8.072 1.00 0.44 H new ATOM 0 HB3 CYS A 28 -2.164 3.122 -7.082 1.00 0.44 H new ATOM 444 N THR A 29 -0.359 5.111 -5.277 1.00 0.34 N ATOM 445 CA THR A 29 0.927 5.758 -5.052 1.00 0.36 C ATOM 446 C THR A 29 1.911 4.705 -4.531 1.00 0.39 C ATOM 447 O THR A 29 1.477 3.812 -3.811 1.00 0.42 O ATOM 448 CB THR A 29 0.667 6.848 -4.001 1.00 0.39 C ATOM 449 OG1 THR A 29 -0.319 7.739 -4.485 1.00 0.50 O ATOM 450 CG2 THR A 29 1.914 7.653 -3.643 1.00 0.46 C ATOM 0 H THR A 29 -0.568 4.389 -4.588 1.00 0.34 H new ATOM 0 HA THR A 29 1.352 6.196 -5.955 1.00 0.36 H new ATOM 0 HB THR A 29 0.337 6.337 -3.097 1.00 0.39 H new ATOM 0 HG1 THR A 29 -1.208 7.351 -4.343 1.00 0.50 H new ATOM 0 HG21 THR A 29 1.660 8.405 -2.896 1.00 0.46 H new ATOM 0 HG22 THR A 29 2.675 6.985 -3.240 1.00 0.46 H new ATOM 0 HG23 THR A 29 2.299 8.145 -4.537 1.00 0.46 H new ATOM 458 N PRO A 30 3.206 4.758 -4.879 1.00 0.41 N ATOM 459 CA PRO A 30 4.194 3.792 -4.411 1.00 0.44 C ATOM 460 C PRO A 30 4.577 4.017 -2.938 1.00 0.47 C ATOM 461 O PRO A 30 4.476 5.133 -2.430 1.00 0.48 O ATOM 462 CB PRO A 30 5.396 3.967 -5.342 1.00 0.49 C ATOM 463 CG PRO A 30 5.297 5.432 -5.768 1.00 0.48 C ATOM 464 CD PRO A 30 3.793 5.670 -5.844 1.00 0.42 C ATOM 0 HA PRO A 30 3.801 2.776 -4.442 1.00 0.44 H new ATOM 0 HB2 PRO A 30 6.336 3.759 -4.830 1.00 0.49 H new ATOM 0 HB3 PRO A 30 5.344 3.294 -6.198 1.00 0.49 H new ATOM 0 HG2 PRO A 30 5.774 6.095 -5.046 1.00 0.48 H new ATOM 0 HG3 PRO A 30 5.782 5.606 -6.729 1.00 0.48 H new ATOM 0 HD2 PRO A 30 3.547 6.705 -5.606 1.00 0.42 H new ATOM 0 HD3 PRO A 30 3.415 5.476 -6.848 1.00 0.42 H new ATOM 472 N PHE A 31 5.044 2.968 -2.249 1.00 0.51 N ATOM 473 CA PHE A 31 5.603 3.019 -0.897 1.00 0.52 C ATOM 474 C PHE A 31 6.449 1.755 -0.682 1.00 0.49 C ATOM 475 O PHE A 31 6.386 0.844 -1.503 1.00 0.57 O ATOM 476 CB PHE A 31 4.473 3.131 0.141 1.00 0.52 C ATOM 477 CG PHE A 31 3.884 1.801 0.572 1.00 0.54 C ATOM 478 CD1 PHE A 31 2.999 1.107 -0.269 1.00 0.53 C ATOM 479 CD2 PHE A 31 4.223 1.255 1.824 1.00 0.64 C ATOM 480 CE1 PHE A 31 2.305 -0.014 0.220 1.00 0.57 C ATOM 481 CE2 PHE A 31 3.546 0.124 2.300 1.00 0.70 C ATOM 482 CZ PHE A 31 2.531 -0.463 1.532 1.00 0.65 C ATOM 0 H PHE A 31 5.041 2.024 -2.636 1.00 0.51 H new ATOM 0 HA PHE A 31 6.236 3.898 -0.775 1.00 0.52 H new ATOM 0 HB2 PHE A 31 4.855 3.648 1.021 1.00 0.52 H new ATOM 0 HB3 PHE A 31 3.677 3.750 -0.272 1.00 0.52 H new ATOM 0 HD1 PHE A 31 2.852 1.433 -1.288 1.00 0.53 H new ATOM 0 HD2 PHE A 31 5.004 1.707 2.417 1.00 0.64 H new ATOM 0 HE1 PHE A 31 1.598 -0.530 -0.413 1.00 0.57 H new ATOM 0 HE2 PHE A 31 3.807 -0.296 3.260 1.00 0.70 H new ATOM 0 HZ PHE A 31 1.926 -1.256 1.946 1.00 0.65 H new ATOM 492 N ILE A 32 7.231 1.682 0.402 1.00 0.43 N ATOM 493 CA ILE A 32 7.993 0.484 0.758 1.00 0.42 C ATOM 494 C ILE A 32 7.226 -0.267 1.851 1.00 0.39 C ATOM 495 O ILE A 32 6.988 0.267 2.934 1.00 0.40 O ATOM 496 CB ILE A 32 9.436 0.845 1.171 1.00 0.47 C ATOM 497 CG1 ILE A 32 10.344 1.114 -0.046 1.00 0.67 C ATOM 498 CG2 ILE A 32 10.098 -0.303 1.954 1.00 0.58 C ATOM 499 CD1 ILE A 32 9.849 2.201 -1.004 1.00 0.86 C ATOM 0 H ILE A 32 7.352 2.455 1.057 1.00 0.43 H new ATOM 0 HA ILE A 32 8.094 -0.174 -0.105 1.00 0.42 H new ATOM 0 HB ILE A 32 9.342 1.743 1.782 1.00 0.47 H new ATOM 0 HG12 ILE A 32 11.334 1.394 0.315 1.00 0.67 H new ATOM 0 HG13 ILE A 32 10.459 0.185 -0.605 1.00 0.67 H new ATOM 0 HG21 ILE A 32 11.113 -0.017 2.230 1.00 0.58 H new ATOM 0 HG22 ILE A 32 9.521 -0.509 2.856 1.00 0.58 H new ATOM 0 HG23 ILE A 32 10.129 -1.197 1.332 1.00 0.58 H new ATOM 0 HD11 ILE A 32 10.558 2.313 -1.825 1.00 0.86 H new ATOM 0 HD12 ILE A 32 8.874 1.919 -1.402 1.00 0.86 H new ATOM 0 HD13 ILE A 32 9.762 3.146 -0.468 1.00 0.86 H new ATOM 511 N TYR A 33 6.835 -1.505 1.553 1.00 0.41 N ATOM 512 CA TYR A 33 6.112 -2.414 2.428 1.00 0.41 C ATOM 513 C TYR A 33 7.098 -3.242 3.249 1.00 0.63 C ATOM 514 O TYR A 33 8.144 -3.636 2.744 1.00 1.97 O ATOM 515 CB TYR A 33 5.238 -3.295 1.531 1.00 0.41 C ATOM 516 CG TYR A 33 4.777 -4.626 2.092 1.00 0.59 C ATOM 517 CD1 TYR A 33 4.050 -4.685 3.294 1.00 0.77 C ATOM 518 CD2 TYR A 33 4.960 -5.795 1.328 1.00 0.84 C ATOM 519 CE1 TYR A 33 3.557 -5.920 3.752 1.00 1.10 C ATOM 520 CE2 TYR A 33 4.375 -7.002 1.735 1.00 1.13 C ATOM 521 CZ TYR A 33 3.671 -7.067 2.944 1.00 1.23 C ATOM 522 OH TYR A 33 3.154 -8.261 3.338 1.00 1.64 O ATOM 0 H TYR A 33 7.027 -1.920 0.641 1.00 0.41 H new ATOM 0 HA TYR A 33 5.486 -1.875 3.139 1.00 0.41 H new ATOM 0 HB2 TYR A 33 4.353 -2.721 1.256 1.00 0.41 H new ATOM 0 HB3 TYR A 33 5.790 -3.491 0.611 1.00 0.41 H new ATOM 0 HD1 TYR A 33 3.871 -3.785 3.864 1.00 0.77 H new ATOM 0 HD2 TYR A 33 5.553 -5.761 0.426 1.00 0.84 H new ATOM 0 HE1 TYR A 33 3.091 -5.988 4.724 1.00 1.10 H new ATOM 0 HE2 TYR A 33 4.467 -7.882 1.116 1.00 1.13 H new ATOM 0 HH TYR A 33 3.385 -8.424 4.276 1.00 1.64 H new ATOM 532 N GLY A 34 6.754 -3.528 4.509 1.00 1.09 N ATOM 533 CA GLY A 34 7.636 -4.244 5.419 1.00 1.09 C ATOM 534 C GLY A 34 8.008 -5.643 4.928 1.00 0.66 C ATOM 535 O GLY A 34 9.131 -6.087 5.163 1.00 1.06 O ATOM 0 H GLY A 34 5.857 -3.268 4.920 1.00 1.09 H new ATOM 0 HA2 GLY A 34 8.547 -3.663 5.562 1.00 1.09 H new ATOM 0 HA3 GLY A 34 7.153 -4.325 6.393 1.00 1.09 H new ATOM 539 N GLY A 35 7.061 -6.336 4.284 1.00 0.63 N ATOM 540 CA GLY A 35 7.231 -7.705 3.804 1.00 0.88 C ATOM 541 C GLY A 35 6.669 -8.748 4.770 1.00 1.25 C ATOM 542 O GLY A 35 7.047 -9.914 4.701 1.00 2.21 O ATOM 0 H GLY A 35 6.139 -5.950 4.080 1.00 0.63 H new ATOM 0 HA2 GLY A 35 6.738 -7.810 2.837 1.00 0.88 H new ATOM 0 HA3 GLY A 35 8.291 -7.900 3.644 1.00 0.88 H new ATOM 546 N CYS A 36 5.786 -8.333 5.683 1.00 1.27 N ATOM 547 CA CYS A 36 5.242 -9.170 6.751 1.00 1.67 C ATOM 548 C CYS A 36 3.765 -8.808 6.936 1.00 2.30 C ATOM 549 O CYS A 36 3.186 -8.231 6.020 1.00 3.19 O ATOM 550 CB CYS A 36 6.081 -8.941 8.015 1.00 1.65 C ATOM 551 SG CYS A 36 7.816 -9.436 7.861 1.00 2.70 S ATOM 0 H CYS A 36 5.422 -7.380 5.698 1.00 1.27 H new ATOM 0 HA CYS A 36 5.292 -10.233 6.514 1.00 1.67 H new ATOM 0 HB2 CYS A 36 6.039 -7.884 8.277 1.00 1.65 H new ATOM 0 HB3 CYS A 36 5.630 -9.492 8.840 1.00 1.65 H new ATOM 556 N GLY A 37 3.174 -9.117 8.101 1.00 2.28 N ATOM 557 CA GLY A 37 1.764 -8.956 8.476 1.00 3.08 C ATOM 558 C GLY A 37 0.938 -8.039 7.571 1.00 2.87 C ATOM 559 O GLY A 37 -0.038 -8.470 6.964 1.00 4.43 O ATOM 0 H GLY A 37 3.716 -9.519 8.866 1.00 2.28 H new ATOM 0 HA2 GLY A 37 1.296 -9.940 8.490 1.00 3.08 H new ATOM 0 HA3 GLY A 37 1.720 -8.568 9.494 1.00 3.08 H new ATOM 563 N GLY A 38 1.343 -6.773 7.470 1.00 1.33 N ATOM 564 CA GLY A 38 0.801 -5.871 6.470 1.00 1.37 C ATOM 565 C GLY A 38 -0.499 -5.229 6.941 1.00 1.09 C ATOM 566 O GLY A 38 -0.541 -4.696 8.048 1.00 1.36 O ATOM 0 H GLY A 38 2.049 -6.353 8.075 1.00 1.33 H new ATOM 0 HA2 GLY A 38 1.531 -5.094 6.246 1.00 1.37 H new ATOM 0 HA3 GLY A 38 0.623 -6.418 5.544 1.00 1.37 H new ATOM 570 N ASN A 39 -1.506 -5.216 6.065 1.00 1.13 N ATOM 571 CA ASN A 39 -2.803 -4.557 6.170 1.00 0.74 C ATOM 572 C ASN A 39 -3.448 -4.626 4.787 1.00 0.62 C ATOM 573 O ASN A 39 -2.891 -5.273 3.901 1.00 0.81 O ATOM 574 CB ASN A 39 -2.690 -3.104 6.634 1.00 0.82 C ATOM 575 CG ASN A 39 -1.869 -2.207 5.704 1.00 1.14 C ATOM 576 OD1 ASN A 39 -0.757 -2.551 5.295 1.00 1.98 O ATOM 577 ND2 ASN A 39 -2.367 -1.005 5.461 1.00 0.99 N ATOM 0 H ASN A 39 -1.422 -5.716 5.180 1.00 1.13 H new ATOM 0 HA ASN A 39 -3.407 -5.063 6.923 1.00 0.74 H new ATOM 0 HB2 ASN A 39 -3.692 -2.687 6.730 1.00 0.82 H new ATOM 0 HB3 ASN A 39 -2.241 -3.086 7.627 1.00 0.82 H new ATOM 0 HD21 ASN A 39 -1.828 -0.329 4.920 1.00 0.99 H new ATOM 0 HD22 ASN A 39 -3.290 -0.754 5.815 1.00 0.99 H new ATOM 584 N GLY A 40 -4.593 -3.971 4.587 1.00 0.62 N ATOM 585 CA GLY A 40 -5.297 -4.010 3.320 1.00 0.80 C ATOM 586 C GLY A 40 -4.638 -3.082 2.307 1.00 0.71 C ATOM 587 O GLY A 40 -4.456 -3.453 1.150 1.00 0.77 O ATOM 0 H GLY A 40 -5.050 -3.403 5.300 1.00 0.62 H new ATOM 0 HA2 GLY A 40 -5.305 -5.030 2.935 1.00 0.80 H new ATOM 0 HA3 GLY A 40 -6.336 -3.716 3.467 1.00 0.80 H new ATOM 591 N ASN A 41 -4.296 -1.866 2.736 1.00 0.72 N ATOM 592 CA ASN A 41 -3.740 -0.811 1.891 1.00 0.85 C ATOM 593 C ASN A 41 -2.284 -1.133 1.538 1.00 0.86 C ATOM 594 O ASN A 41 -1.356 -0.484 2.015 1.00 0.96 O ATOM 595 CB ASN A 41 -3.916 0.507 2.649 1.00 0.95 C ATOM 596 CG ASN A 41 -3.686 1.791 1.867 1.00 1.29 C ATOM 597 OD1 ASN A 41 -2.679 2.454 2.053 1.00 2.94 O ATOM 598 ND2 ASN A 41 -4.659 2.231 1.075 1.00 0.46 N ATOM 0 H ASN A 41 -4.402 -1.581 3.710 1.00 0.72 H new ATOM 0 HA ASN A 41 -4.256 -0.731 0.934 1.00 0.85 H new ATOM 0 HB2 ASN A 41 -4.928 0.533 3.052 1.00 0.95 H new ATOM 0 HB3 ASN A 41 -3.234 0.502 3.499 1.00 0.95 H new ATOM 0 HD21 ASN A 41 -4.570 3.136 0.612 1.00 0.46 H new ATOM 0 HD22 ASN A 41 -5.494 1.664 0.930 1.00 0.46 H new ATOM 605 N ASN A 42 -2.088 -2.184 0.735 1.00 0.78 N ATOM 606 CA ASN A 42 -0.793 -2.795 0.469 1.00 0.70 C ATOM 607 C ASN A 42 -0.881 -3.672 -0.782 1.00 0.67 C ATOM 608 O ASN A 42 -1.152 -4.865 -0.689 1.00 0.84 O ATOM 609 CB ASN A 42 -0.366 -3.625 1.689 1.00 0.77 C ATOM 610 CG ASN A 42 0.924 -4.400 1.442 1.00 0.73 C ATOM 611 OD1 ASN A 42 1.933 -3.764 0.851 1.00 2.12 O flip ATOM 612 ND2 ASN A 42 1.044 -5.571 1.782 1.00 1.82 N flip ATOM 0 H ASN A 42 -2.853 -2.643 0.240 1.00 0.78 H new ATOM 0 HA ASN A 42 -0.047 -2.021 0.291 1.00 0.70 H new ATOM 0 HB2 ASN A 42 -0.231 -2.964 2.545 1.00 0.77 H new ATOM 0 HB3 ASN A 42 -1.162 -4.323 1.947 1.00 0.77 H new ATOM 0 HD21 ASN A 42 0.267 -6.053 2.234 1.00 1.82 H new ATOM 0 HD22 ASN A 42 1.921 -6.064 1.613 1.00 1.82 H new ATOM 619 N PHE A 43 -0.652 -3.075 -1.952 1.00 0.58 N ATOM 620 CA PHE A 43 -1.028 -3.627 -3.245 1.00 0.56 C ATOM 621 C PHE A 43 0.184 -3.807 -4.150 1.00 0.44 C ATOM 622 O PHE A 43 1.128 -3.028 -4.073 1.00 0.41 O ATOM 623 CB PHE A 43 -1.990 -2.637 -3.896 1.00 0.63 C ATOM 624 CG PHE A 43 -3.233 -2.348 -3.069 1.00 0.84 C ATOM 625 CD1 PHE A 43 -4.053 -3.403 -2.634 1.00 1.12 C ATOM 626 CD2 PHE A 43 -3.476 -1.042 -2.598 1.00 0.87 C ATOM 627 CE1 PHE A 43 -5.135 -3.144 -1.776 1.00 1.32 C ATOM 628 CE2 PHE A 43 -4.607 -0.771 -1.809 1.00 1.09 C ATOM 629 CZ PHE A 43 -5.438 -1.825 -1.398 1.00 1.28 C ATOM 0 H PHE A 43 -0.187 -2.170 -2.024 1.00 0.58 H new ATOM 0 HA PHE A 43 -1.484 -4.607 -3.103 1.00 0.56 H new ATOM 0 HB2 PHE A 43 -1.463 -1.701 -4.080 1.00 0.63 H new ATOM 0 HB3 PHE A 43 -2.295 -3.027 -4.867 1.00 0.63 H new ATOM 0 HD1 PHE A 43 -3.851 -4.413 -2.959 1.00 1.12 H new ATOM 0 HD2 PHE A 43 -2.790 -0.245 -2.845 1.00 0.87 H new ATOM 0 HE1 PHE A 43 -5.736 -3.961 -1.406 1.00 1.32 H new ATOM 0 HE2 PHE A 43 -4.836 0.244 -1.520 1.00 1.09 H new ATOM 0 HZ PHE A 43 -6.309 -1.622 -0.792 1.00 1.28 H new ATOM 639 N GLU A 44 0.162 -4.809 -5.027 1.00 0.46 N ATOM 640 CA GLU A 44 1.298 -5.146 -5.867 1.00 0.44 C ATOM 641 C GLU A 44 1.557 -4.049 -6.909 1.00 0.40 C ATOM 642 O GLU A 44 2.704 -3.737 -7.216 1.00 0.51 O ATOM 643 CB GLU A 44 1.079 -6.542 -6.479 1.00 0.60 C ATOM 644 CG GLU A 44 2.399 -7.299 -6.690 1.00 0.99 C ATOM 645 CD GLU A 44 3.034 -7.717 -5.367 1.00 1.79 C ATOM 646 OE1 GLU A 44 2.454 -8.587 -4.683 1.00 2.94 O ATOM 647 OE2 GLU A 44 4.056 -7.115 -4.981 1.00 2.60 O ATOM 0 H GLU A 44 -0.650 -5.409 -5.172 1.00 0.46 H new ATOM 0 HA GLU A 44 2.207 -5.194 -5.268 1.00 0.44 H new ATOM 0 HB2 GLU A 44 0.429 -7.125 -5.826 1.00 0.60 H new ATOM 0 HB3 GLU A 44 0.564 -6.441 -7.434 1.00 0.60 H new ATOM 0 HG2 GLU A 44 2.216 -8.183 -7.300 1.00 0.99 H new ATOM 0 HG3 GLU A 44 3.095 -6.668 -7.243 1.00 0.99 H new ATOM 654 N THR A 45 0.490 -3.462 -7.464 1.00 0.36 N ATOM 655 CA THR A 45 0.576 -2.516 -8.570 1.00 0.37 C ATOM 656 C THR A 45 -0.453 -1.397 -8.401 1.00 0.31 C ATOM 657 O THR A 45 -1.403 -1.541 -7.632 1.00 0.34 O ATOM 658 CB THR A 45 0.322 -3.261 -9.890 1.00 0.45 C ATOM 659 OG1 THR A 45 -0.999 -3.764 -9.911 1.00 0.43 O ATOM 660 CG2 THR A 45 1.297 -4.424 -10.096 1.00 0.56 C ATOM 0 H THR A 45 -0.465 -3.636 -7.151 1.00 0.36 H new ATOM 0 HA THR A 45 1.571 -2.070 -8.581 1.00 0.37 H new ATOM 0 HB THR A 45 0.473 -2.544 -10.697 1.00 0.45 H new ATOM 0 HG1 THR A 45 -1.156 -4.236 -10.755 1.00 0.43 H new ATOM 0 HG21 THR A 45 1.078 -4.919 -11.042 1.00 0.56 H new ATOM 0 HG22 THR A 45 2.318 -4.044 -10.114 1.00 0.56 H new ATOM 0 HG23 THR A 45 1.190 -5.138 -9.279 1.00 0.56 H new ATOM 668 N LEU A 46 -0.302 -0.313 -9.168 1.00 0.31 N ATOM 669 CA LEU A 46 -1.330 0.711 -9.340 1.00 0.29 C ATOM 670 C LEU A 46 -2.622 0.094 -9.854 1.00 0.31 C ATOM 671 O LEU A 46 -3.695 0.382 -9.330 1.00 0.34 O ATOM 672 CB LEU A 46 -0.803 1.834 -10.261 1.00 0.35 C ATOM 673 CG LEU A 46 -1.791 2.483 -11.255 1.00 0.39 C ATOM 674 CD1 LEU A 46 -2.770 3.428 -10.561 1.00 0.40 C ATOM 675 CD2 LEU A 46 -1.011 3.298 -12.289 1.00 0.55 C ATOM 0 H LEU A 46 0.551 -0.122 -9.693 1.00 0.31 H new ATOM 0 HA LEU A 46 -1.561 1.160 -8.374 1.00 0.29 H new ATOM 0 HB2 LEU A 46 -0.401 2.624 -9.627 1.00 0.35 H new ATOM 0 HB3 LEU A 46 0.031 1.430 -10.835 1.00 0.35 H new ATOM 0 HG LEU A 46 -2.353 1.674 -11.722 1.00 0.39 H new ATOM 0 HD11 LEU A 46 -3.444 3.860 -11.300 1.00 0.40 H new ATOM 0 HD12 LEU A 46 -3.349 2.874 -9.822 1.00 0.40 H new ATOM 0 HD13 LEU A 46 -2.216 4.225 -10.065 1.00 0.40 H new ATOM 0 HD21 LEU A 46 -1.707 3.757 -12.991 1.00 0.55 H new ATOM 0 HD22 LEU A 46 -0.440 4.077 -11.783 1.00 0.55 H new ATOM 0 HD23 LEU A 46 -0.329 2.642 -12.830 1.00 0.55 H new ATOM 687 N HIS A 47 -2.519 -0.742 -10.888 1.00 0.37 N ATOM 688 CA HIS A 47 -3.660 -1.472 -11.420 1.00 0.46 C ATOM 689 C HIS A 47 -4.413 -2.143 -10.269 1.00 0.45 C ATOM 690 O HIS A 47 -5.617 -1.939 -10.106 1.00 0.58 O ATOM 691 CB HIS A 47 -3.179 -2.487 -12.468 1.00 0.54 C ATOM 692 CG HIS A 47 -4.139 -3.631 -12.687 1.00 0.72 C ATOM 693 ND1 HIS A 47 -5.325 -3.584 -13.386 1.00 2.30 N ATOM 694 CD2 HIS A 47 -4.061 -4.858 -12.086 1.00 1.27 C ATOM 695 CE1 HIS A 47 -5.938 -4.769 -13.214 1.00 1.96 C ATOM 696 NE2 HIS A 47 -5.209 -5.575 -12.427 1.00 0.79 N ATOM 0 H HIS A 47 -1.643 -0.929 -11.376 1.00 0.37 H new ATOM 0 HA HIS A 47 -4.350 -0.790 -11.917 1.00 0.46 H new ATOM 0 HB2 HIS A 47 -3.020 -1.971 -13.415 1.00 0.54 H new ATOM 0 HB3 HIS A 47 -2.214 -2.888 -12.157 1.00 0.54 H new ATOM 0 HD2 HIS A 47 -3.255 -5.209 -11.459 1.00 1.27 H new ATOM 0 HE1 HIS A 47 -6.889 -5.036 -13.651 1.00 1.96 H new ATOM 0 HE2 HIS A 47 -5.447 -6.523 -12.136 1.00 0.79 H new ATOM 704 N GLN A 48 -3.687 -2.919 -9.462 1.00 0.39 N ATOM 705 CA GLN A 48 -4.289 -3.698 -8.395 1.00 0.50 C ATOM 706 C GLN A 48 -4.881 -2.758 -7.348 1.00 0.60 C ATOM 707 O GLN A 48 -6.036 -2.909 -6.970 1.00 0.77 O ATOM 708 CB GLN A 48 -3.257 -4.661 -7.799 1.00 0.59 C ATOM 709 CG GLN A 48 -3.879 -5.567 -6.732 1.00 1.25 C ATOM 710 CD GLN A 48 -2.829 -6.488 -6.129 1.00 1.48 C ATOM 711 OE1 GLN A 48 -2.286 -6.196 -5.070 1.00 2.37 O ATOM 712 NE2 GLN A 48 -2.501 -7.582 -6.808 1.00 1.63 N ATOM 0 H GLN A 48 -2.675 -3.020 -9.534 1.00 0.39 H new ATOM 0 HA GLN A 48 -5.103 -4.307 -8.790 1.00 0.50 H new ATOM 0 HB2 GLN A 48 -2.830 -5.274 -8.593 1.00 0.59 H new ATOM 0 HB3 GLN A 48 -2.438 -4.091 -7.360 1.00 0.59 H new ATOM 0 HG2 GLN A 48 -4.329 -4.958 -5.948 1.00 1.25 H new ATOM 0 HG3 GLN A 48 -4.680 -6.160 -7.174 1.00 1.25 H new ATOM 0 HE21 GLN A 48 -2.972 -7.797 -7.687 1.00 1.63 H new ATOM 0 HE22 GLN A 48 -1.778 -8.207 -6.450 1.00 1.63 H new ATOM 721 N CYS A 49 -4.097 -1.780 -6.891 1.00 0.55 N ATOM 722 CA CYS A 49 -4.539 -0.795 -5.914 1.00 0.68 C ATOM 723 C CYS A 49 -5.863 -0.169 -6.333 1.00 0.77 C ATOM 724 O CYS A 49 -6.829 -0.138 -5.573 1.00 0.98 O ATOM 725 CB CYS A 49 -3.447 0.269 -5.754 1.00 0.60 C ATOM 726 SG CYS A 49 -3.984 1.817 -4.998 1.00 0.72 S ATOM 0 H CYS A 49 -3.131 -1.652 -7.193 1.00 0.55 H new ATOM 0 HA CYS A 49 -4.706 -1.284 -4.954 1.00 0.68 H new ATOM 0 HB2 CYS A 49 -2.640 -0.150 -5.152 1.00 0.60 H new ATOM 0 HB3 CYS A 49 -3.030 0.489 -6.737 1.00 0.60 H new ATOM 731 N ARG A 50 -5.898 0.321 -7.568 1.00 0.69 N ATOM 732 CA ARG A 50 -7.028 1.044 -8.106 1.00 0.89 C ATOM 733 C ARG A 50 -8.234 0.117 -8.207 1.00 0.87 C ATOM 734 O ARG A 50 -9.316 0.471 -7.743 1.00 0.92 O ATOM 735 CB ARG A 50 -6.599 1.646 -9.447 1.00 0.93 C ATOM 736 CG ARG A 50 -7.631 2.625 -10.012 1.00 1.39 C ATOM 737 CD ARG A 50 -6.995 3.644 -10.971 1.00 1.60 C ATOM 738 NE ARG A 50 -6.004 3.010 -11.855 1.00 1.42 N ATOM 739 CZ ARG A 50 -5.678 3.391 -13.102 1.00 2.25 C ATOM 740 NH1 ARG A 50 -6.231 4.483 -13.643 1.00 2.47 N ATOM 741 NH2 ARG A 50 -4.787 2.680 -13.801 1.00 3.85 N ATOM 0 H ARG A 50 -5.126 0.221 -8.228 1.00 0.69 H new ATOM 0 HA ARG A 50 -7.338 1.861 -7.455 1.00 0.89 H new ATOM 0 HB2 ARG A 50 -5.647 2.161 -9.321 1.00 0.93 H new ATOM 0 HB3 ARG A 50 -6.435 0.843 -10.165 1.00 0.93 H new ATOM 0 HG2 ARG A 50 -8.408 2.069 -10.537 1.00 1.39 H new ATOM 0 HG3 ARG A 50 -8.116 3.154 -9.191 1.00 1.39 H new ATOM 0 HD2 ARG A 50 -7.773 4.113 -11.573 1.00 1.60 H new ATOM 0 HD3 ARG A 50 -6.516 4.436 -10.396 1.00 1.60 H new ATOM 0 HE ARG A 50 -5.514 2.197 -11.483 1.00 1.42 H new ATOM 0 HH11 ARG A 50 -6.904 5.032 -13.108 1.00 2.47 H new ATOM 0 HH12 ARG A 50 -5.979 4.766 -14.590 1.00 2.47 H new ATOM 0 HH21 ARG A 50 -4.358 1.852 -13.388 1.00 3.85 H new ATOM 0 HH22 ARG A 50 -4.537 2.965 -14.748 1.00 3.85 H new ATOM 755 N ALA A 51 -8.029 -1.066 -8.794 1.00 0.85 N ATOM 756 CA ALA A 51 -9.062 -2.084 -8.928 1.00 0.93 C ATOM 757 C ALA A 51 -9.647 -2.477 -7.568 1.00 1.03 C ATOM 758 O ALA A 51 -10.858 -2.623 -7.437 1.00 1.21 O ATOM 759 CB ALA A 51 -8.484 -3.308 -9.645 1.00 0.81 C ATOM 0 H ALA A 51 -7.131 -1.341 -9.192 1.00 0.85 H new ATOM 0 HA ALA A 51 -9.878 -1.671 -9.521 1.00 0.93 H new ATOM 0 HB1 ALA A 51 -9.257 -4.070 -9.745 1.00 0.81 H new ATOM 0 HB2 ALA A 51 -8.131 -3.017 -10.634 1.00 0.81 H new ATOM 0 HB3 ALA A 51 -7.652 -3.709 -9.066 1.00 0.81 H new ATOM 765 N ILE A 52 -8.791 -2.678 -6.564 1.00 0.99 N ATOM 766 CA ILE A 52 -9.222 -3.096 -5.239 1.00 1.16 C ATOM 767 C ILE A 52 -9.975 -1.965 -4.534 1.00 1.38 C ATOM 768 O ILE A 52 -11.059 -2.184 -3.999 1.00 1.53 O ATOM 769 CB ILE A 52 -8.043 -3.647 -4.430 1.00 1.14 C ATOM 770 CG1 ILE A 52 -7.677 -4.991 -5.083 1.00 0.97 C ATOM 771 CG2 ILE A 52 -8.464 -3.846 -2.966 1.00 1.37 C ATOM 772 CD1 ILE A 52 -6.612 -5.752 -4.321 1.00 2.15 C ATOM 0 H ILE A 52 -7.782 -2.554 -6.652 1.00 0.99 H new ATOM 0 HA ILE A 52 -9.930 -3.919 -5.335 1.00 1.16 H new ATOM 0 HB ILE A 52 -7.191 -2.967 -4.431 1.00 1.14 H new ATOM 0 HG12 ILE A 52 -8.573 -5.608 -5.157 1.00 0.97 H new ATOM 0 HG13 ILE A 52 -7.329 -4.811 -6.100 1.00 0.97 H new ATOM 0 HG21 ILE A 52 -7.622 -4.238 -2.395 1.00 1.37 H new ATOM 0 HG22 ILE A 52 -8.775 -2.890 -2.544 1.00 1.37 H new ATOM 0 HG23 ILE A 52 -9.294 -4.551 -2.919 1.00 1.37 H new ATOM 0 HD11 ILE A 52 -6.399 -6.690 -4.833 1.00 2.15 H new ATOM 0 HD12 ILE A 52 -5.703 -5.152 -4.269 1.00 2.15 H new ATOM 0 HD13 ILE A 52 -6.966 -5.962 -3.312 1.00 2.15 H new ATOM 784 N CYS A 53 -9.382 -0.769 -4.477 1.00 1.44 N ATOM 785 CA CYS A 53 -9.959 0.335 -3.719 1.00 1.57 C ATOM 786 C CYS A 53 -11.189 0.933 -4.401 1.00 1.83 C ATOM 787 O CYS A 53 -12.220 1.097 -3.750 1.00 2.41 O ATOM 788 CB CYS A 53 -8.910 1.414 -3.421 1.00 1.21 C ATOM 789 SG CYS A 53 -9.616 3.015 -2.949 1.00 1.39 S ATOM 0 H CYS A 53 -8.505 -0.545 -4.947 1.00 1.44 H new ATOM 0 HA CYS A 53 -10.297 -0.080 -2.770 1.00 1.57 H new ATOM 0 HB2 CYS A 53 -8.261 1.064 -2.619 1.00 1.21 H new ATOM 0 HB3 CYS A 53 -8.283 1.550 -4.302 1.00 1.21 H new ATOM 794 N ARG A 54 -11.083 1.333 -5.671 1.00 1.72 N ATOM 795 CA ARG A 54 -12.133 2.138 -6.276 1.00 2.36 C ATOM 796 C ARG A 54 -13.314 1.336 -6.825 1.00 3.71 C ATOM 797 O ARG A 54 -13.213 0.141 -7.090 1.00 4.50 O ATOM 798 CB ARG A 54 -11.606 3.022 -7.406 1.00 2.04 C ATOM 799 CG ARG A 54 -10.351 3.867 -7.157 1.00 2.09 C ATOM 800 CD ARG A 54 -10.123 4.853 -8.327 1.00 2.14 C ATOM 801 NE ARG A 54 -11.225 5.833 -8.458 1.00 2.97 N ATOM 802 CZ ARG A 54 -12.404 5.592 -9.064 1.00 4.53 C ATOM 803 NH1 ARG A 54 -12.512 4.634 -9.988 1.00 5.66 N ATOM 804 NH2 ARG A 54 -13.502 6.235 -8.667 1.00 5.66 N ATOM 0 H ARG A 54 -10.297 1.116 -6.284 1.00 1.72 H new ATOM 0 HA ARG A 54 -12.491 2.746 -5.445 1.00 2.36 H new ATOM 0 HB2 ARG A 54 -11.406 2.379 -8.263 1.00 2.04 H new ATOM 0 HB3 ARG A 54 -12.408 3.700 -7.697 1.00 2.04 H new ATOM 0 HG2 ARG A 54 -10.456 4.419 -6.223 1.00 2.09 H new ATOM 0 HG3 ARG A 54 -9.483 3.217 -7.047 1.00 2.09 H new ATOM 0 HD2 ARG A 54 -9.184 5.384 -8.174 1.00 2.14 H new ATOM 0 HD3 ARG A 54 -10.025 4.293 -9.257 1.00 2.14 H new ATOM 0 HE ARG A 54 -11.081 6.761 -8.059 1.00 2.97 H new ATOM 0 HH11 ARG A 54 -11.697 4.076 -10.242 1.00 5.66 H new ATOM 0 HH12 ARG A 54 -13.410 4.460 -10.440 1.00 5.66 H new ATOM 0 HH21 ARG A 54 -13.450 6.910 -7.904 1.00 5.66 H new ATOM 0 HH22 ARG A 54 -14.394 6.052 -9.126 1.00 5.66 H new ATOM 818 N ALA A 55 -14.391 2.071 -7.116 1.00 4.47 N ATOM 819 CA ALA A 55 -15.222 1.875 -8.287 1.00 5.46 C ATOM 820 C ALA A 55 -15.218 3.237 -8.992 1.00 5.78 C ATOM 821 O ALA A 55 -14.771 3.289 -10.135 1.00 5.69 O ATOM 822 CB ALA A 55 -16.633 1.456 -7.872 1.00 6.66 C ATOM 823 OXT ALA A 55 -15.098 4.229 -8.268 1.00 6.13 O ATOM 0 H ALA A 55 -14.710 2.837 -6.522 1.00 4.47 H new ATOM 0 HA ALA A 55 -14.856 1.084 -8.941 1.00 5.46 H new ATOM 0 HB1 ALA A 55 -17.246 1.312 -8.762 1.00 6.66 H new ATOM 0 HB2 ALA A 55 -16.585 0.523 -7.310 1.00 6.66 H new ATOM 0 HB3 ALA A 55 -17.075 2.233 -7.248 1.00 6.66 H new TER 829 ALA A 55