USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 276 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.00911 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.61 K(o=-1.6,f=-6.1!) USER MOD Single : A 12 ASN : amide:sc= -1.9 X(o=-1.9,f=-1.4) USER MOD Single : A 15 LYS NZ :NH3+ -170:sc= -0.804 (180deg=-0.984) USER MOD Single : A 20 LYS NZ :NH3+ -147:sc=-0.00208 (180deg=-0.286) USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= -0.244 (180deg=-0.817) USER MOD Single : A 24 SER OG : rot 180:sc= 0.01 USER MOD Single : A 25 LYS NZ :NH3+ -160:sc= -0.0286 (180deg=-0.259) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0569 K(o=-0.057,f=-0.67) USER MOD Single : A 33 SER OG : rot 180:sc=-0.00527 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.325 9.750 3.643 1.00 0.00 N ATOM 2 CA GLY A 1 -7.985 8.910 2.461 1.00 0.00 C ATOM 3 C GLY A 1 -8.620 7.536 2.525 1.00 0.00 C ATOM 4 O GLY A 1 -9.735 7.382 3.023 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.599 10.702 3.325 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.116 9.317 4.161 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.498 9.819 4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.312 9.416 1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.902 8.804 2.394 1.00 0.00 H new ATOM 10 N CYS A 2 -7.909 6.533 2.021 1.00 0.00 N ATOM 11 CA CYS A 2 -8.411 5.161 2.027 1.00 0.00 C ATOM 12 C CYS A 2 -7.618 4.298 3.006 1.00 0.00 C ATOM 13 O CYS A 2 -8.196 3.625 3.858 1.00 0.00 O ATOM 14 CB CYS A 2 -8.354 4.544 0.617 1.00 0.00 C ATOM 15 SG CYS A 2 -7.698 5.643 -0.686 1.00 0.00 S ATOM 0 H CYS A 2 -6.985 6.643 1.604 1.00 0.00 H new ATOM 0 HA CYS A 2 -9.452 5.192 2.349 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -7.739 3.645 0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -9.359 4.231 0.334 1.00 0.00 H new ATOM 20 N LEU A 3 -6.292 4.338 2.885 1.00 0.00 N ATOM 21 CA LEU A 3 -5.410 3.575 3.762 1.00 0.00 C ATOM 22 C LEU A 3 -3.977 4.041 3.622 1.00 0.00 C ATOM 23 O LEU A 3 -3.460 4.191 2.514 1.00 0.00 O ATOM 24 CB LEU A 3 -5.518 2.079 3.467 1.00 0.00 C ATOM 25 CG LEU A 3 -6.699 1.380 4.143 1.00 0.00 C ATOM 26 CD1 LEU A 3 -7.768 1.020 3.121 1.00 0.00 C ATOM 27 CD2 LEU A 3 -6.236 0.141 4.894 1.00 0.00 C ATOM 0 H LEU A 3 -5.804 4.895 2.183 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.726 3.747 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.599 1.940 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.595 1.592 3.783 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.134 2.072 4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.599 0.524 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.127 1.927 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.345 0.351 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.093 -0.339 5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.769 -0.554 4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.514 0.428 5.658 1.00 0.00 H new ATOM 39 N GLU A 4 -3.348 4.295 4.760 1.00 0.00 N ATOM 40 CA GLU A 4 -1.983 4.774 4.773 1.00 0.00 C ATOM 41 C GLU A 4 -0.979 3.644 4.563 1.00 0.00 C ATOM 42 O GLU A 4 -1.352 2.492 4.338 1.00 0.00 O ATOM 43 CB GLU A 4 -1.684 5.507 6.082 1.00 0.00 C ATOM 44 CG GLU A 4 -0.824 6.748 5.898 1.00 0.00 C ATOM 45 CD GLU A 4 -1.175 7.849 6.879 1.00 0.00 C ATOM 46 OE1 GLU A 4 -2.362 8.231 6.945 1.00 0.00 O ATOM 47 OE2 GLU A 4 -0.262 8.331 7.582 1.00 0.00 O ATOM 0 H GLU A 4 -3.765 4.176 5.683 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.877 5.470 3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.625 5.793 6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.180 4.823 6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.226 6.480 6.018 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.943 7.121 4.881 1.00 0.00 H new ATOM 54 N PHE A 5 0.303 3.994 4.641 1.00 0.00 N ATOM 55 CA PHE A 5 1.390 3.035 4.460 1.00 0.00 C ATOM 56 C PHE A 5 1.182 1.774 5.297 1.00 0.00 C ATOM 57 O PHE A 5 0.430 1.779 6.273 1.00 0.00 O ATOM 58 CB PHE A 5 2.726 3.690 4.828 1.00 0.00 C ATOM 59 CG PHE A 5 3.877 2.724 4.925 1.00 0.00 C ATOM 60 CD1 PHE A 5 4.126 2.044 6.106 1.00 0.00 C ATOM 61 CD2 PHE A 5 4.707 2.501 3.838 1.00 0.00 C ATOM 62 CE1 PHE A 5 5.182 1.157 6.202 1.00 0.00 C ATOM 63 CE2 PHE A 5 5.764 1.615 3.928 1.00 0.00 C ATOM 64 CZ PHE A 5 6.002 0.943 5.112 1.00 0.00 C ATOM 0 H PHE A 5 0.616 4.946 4.831 1.00 0.00 H new ATOM 0 HA PHE A 5 1.400 2.738 3.411 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.964 4.449 4.083 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.616 4.204 5.783 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.488 2.209 6.962 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.526 3.025 2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.365 0.632 7.128 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.403 1.448 3.074 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.828 0.251 5.185 1.00 0.00 H new ATOM 74 N TRP A 6 1.869 0.703 4.907 1.00 0.00 N ATOM 75 CA TRP A 6 1.793 -0.577 5.609 1.00 0.00 C ATOM 76 C TRP A 6 0.420 -1.230 5.460 1.00 0.00 C ATOM 77 O TRP A 6 0.316 -2.349 4.963 1.00 0.00 O ATOM 78 CB TRP A 6 2.132 -0.396 7.091 1.00 0.00 C ATOM 79 CG TRP A 6 2.108 -1.677 7.869 1.00 0.00 C ATOM 80 CD1 TRP A 6 1.013 -2.435 8.167 1.00 0.00 C ATOM 81 CD2 TRP A 6 3.232 -2.349 8.448 1.00 0.00 C ATOM 82 NE1 TRP A 6 1.386 -3.537 8.897 1.00 0.00 N ATOM 83 CE2 TRP A 6 2.744 -3.508 9.082 1.00 0.00 C ATOM 84 CE3 TRP A 6 4.605 -2.085 8.491 1.00 0.00 C ATOM 85 CZ2 TRP A 6 3.580 -4.399 9.750 1.00 0.00 C ATOM 86 CZ3 TRP A 6 5.432 -2.970 9.156 1.00 0.00 C ATOM 87 CH2 TRP A 6 4.918 -4.115 9.777 1.00 0.00 C ATOM 0 H TRP A 6 2.492 0.697 4.099 1.00 0.00 H new ATOM 0 HA TRP A 6 2.526 -1.241 5.151 1.00 0.00 H new ATOM 0 HB2 TRP A 6 3.121 0.054 7.177 1.00 0.00 H new ATOM 0 HB3 TRP A 6 1.424 0.303 7.535 1.00 0.00 H new ATOM 0 HD1 TRP A 6 0.001 -2.202 7.872 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.755 -4.259 9.245 1.00 0.00 H new ATOM 0 HE3 TRP A 6 5.011 -1.206 8.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 3.186 -5.283 10.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 6.493 -2.775 9.198 1.00 0.00 H new ATOM 0 HH2 TRP A 6 5.591 -4.787 10.288 1.00 0.00 H new ATOM 98 N TRP A 7 -0.629 -0.537 5.898 1.00 0.00 N ATOM 99 CA TRP A 7 -1.991 -1.067 5.817 1.00 0.00 C ATOM 100 C TRP A 7 -2.227 -1.808 4.501 1.00 0.00 C ATOM 101 O TRP A 7 -2.357 -1.193 3.443 1.00 0.00 O ATOM 102 CB TRP A 7 -3.010 0.062 5.973 1.00 0.00 C ATOM 103 CG TRP A 7 -3.006 0.685 7.337 1.00 0.00 C ATOM 104 CD1 TRP A 7 -2.255 0.307 8.413 1.00 0.00 C ATOM 105 CD2 TRP A 7 -3.794 1.798 7.770 1.00 0.00 C ATOM 106 NE1 TRP A 7 -2.527 1.119 9.487 1.00 0.00 N ATOM 107 CE2 TRP A 7 -3.469 2.043 9.117 1.00 0.00 C ATOM 108 CE3 TRP A 7 -4.742 2.613 7.148 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -4.060 3.070 9.850 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -5.327 3.631 7.875 1.00 0.00 C ATOM 111 CH2 TRP A 7 -4.984 3.852 9.214 1.00 0.00 C ATOM 0 H TRP A 7 -0.563 0.393 6.313 1.00 0.00 H new ATOM 0 HA TRP A 7 -2.118 -1.780 6.632 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.804 0.832 5.230 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -4.006 -0.326 5.762 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -1.550 -0.511 8.419 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -2.098 1.046 10.409 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -5.013 2.450 6.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.798 3.242 10.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.061 4.267 7.403 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.459 4.657 9.756 1.00 0.00 H new ATOM 122 N LYS A 8 -2.270 -3.137 4.581 1.00 0.00 N ATOM 123 CA LYS A 8 -2.479 -3.978 3.405 1.00 0.00 C ATOM 124 C LYS A 8 -3.613 -3.450 2.532 1.00 0.00 C ATOM 125 O LYS A 8 -4.389 -2.592 2.955 1.00 0.00 O ATOM 126 CB LYS A 8 -2.781 -5.417 3.831 1.00 0.00 C ATOM 127 CG LYS A 8 -3.880 -5.523 4.875 1.00 0.00 C ATOM 128 CD LYS A 8 -4.121 -6.966 5.285 1.00 0.00 C ATOM 129 CE LYS A 8 -4.858 -7.052 6.613 1.00 0.00 C ATOM 130 NZ LYS A 8 -4.498 -8.283 7.370 1.00 0.00 N ATOM 0 H LYS A 8 -2.162 -3.656 5.453 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.561 -3.957 2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.069 -5.995 2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.871 -5.869 4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.608 -4.935 5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.802 -5.097 4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.700 -7.473 4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.167 -7.488 5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.624 -6.174 7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.933 -7.038 6.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.021 -8.304 8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.744 -9.122 6.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.476 -8.285 7.564 1.00 0.00 H new ATOM 144 N CYS A 9 -3.701 -3.967 1.311 1.00 0.00 N ATOM 145 CA CYS A 9 -4.738 -3.546 0.377 1.00 0.00 C ATOM 146 C CYS A 9 -5.500 -4.746 -0.177 1.00 0.00 C ATOM 147 O CYS A 9 -5.343 -5.870 0.298 1.00 0.00 O ATOM 148 CB CYS A 9 -4.124 -2.737 -0.770 1.00 0.00 C ATOM 149 SG CYS A 9 -3.234 -3.739 -2.010 1.00 0.00 S ATOM 0 H CYS A 9 -3.067 -4.678 0.946 1.00 0.00 H new ATOM 0 HA CYS A 9 -5.443 -2.916 0.919 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.917 -2.181 -1.271 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.435 -2.003 -0.352 1.00 0.00 H new ATOM 154 N ASN A 10 -6.323 -4.494 -1.189 1.00 0.00 N ATOM 155 CA ASN A 10 -7.110 -5.547 -1.819 1.00 0.00 C ATOM 156 C ASN A 10 -7.256 -5.282 -3.317 1.00 0.00 C ATOM 157 O ASN A 10 -7.971 -4.367 -3.722 1.00 0.00 O ATOM 158 CB ASN A 10 -8.492 -5.634 -1.170 1.00 0.00 C ATOM 159 CG ASN A 10 -8.457 -6.340 0.173 1.00 0.00 C ATOM 160 OD1 ASN A 10 -7.711 -5.952 1.072 1.00 0.00 O ATOM 161 ND2 ASN A 10 -9.268 -7.382 0.315 1.00 0.00 N ATOM 0 H ASN A 10 -6.462 -3.567 -1.591 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.591 -6.495 -1.679 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.893 -4.629 -1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.171 -6.163 -1.838 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -9.289 -7.895 1.196 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.870 -7.669 -0.457 1.00 0.00 H new ATOM 168 N PRO A 11 -6.575 -6.077 -4.167 1.00 0.00 N ATOM 169 CA PRO A 11 -6.639 -5.907 -5.624 1.00 0.00 C ATOM 170 C PRO A 11 -8.062 -6.025 -6.159 1.00 0.00 C ATOM 171 O PRO A 11 -8.469 -7.078 -6.650 1.00 0.00 O ATOM 172 CB PRO A 11 -5.764 -7.046 -6.169 1.00 0.00 C ATOM 173 CG PRO A 11 -5.625 -8.010 -5.040 1.00 0.00 C ATOM 174 CD PRO A 11 -5.692 -7.190 -3.786 1.00 0.00 C ATOM 0 HA PRO A 11 -6.300 -4.917 -5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.228 -7.519 -7.035 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.791 -6.675 -6.491 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.421 -8.755 -5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.681 -8.551 -5.103 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.099 -7.761 -2.951 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.707 -6.838 -3.481 1.00 0.00 H new ATOM 182 N ASN A 12 -8.815 -4.932 -6.058 1.00 0.00 N ATOM 183 CA ASN A 12 -10.196 -4.900 -6.529 1.00 0.00 C ATOM 184 C ASN A 12 -10.848 -3.564 -6.182 1.00 0.00 C ATOM 185 O ASN A 12 -11.563 -2.980 -6.996 1.00 0.00 O ATOM 186 CB ASN A 12 -11.001 -6.048 -5.913 1.00 0.00 C ATOM 187 CG ASN A 12 -11.203 -7.197 -6.881 1.00 0.00 C ATOM 188 OD1 ASN A 12 -11.773 -7.023 -7.959 1.00 0.00 O ATOM 189 ND2 ASN A 12 -10.735 -8.380 -6.503 1.00 0.00 N ATOM 0 H ASN A 12 -8.490 -4.054 -5.653 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.189 -5.018 -7.613 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.487 -6.412 -5.023 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.972 -5.674 -5.589 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.841 -9.190 -7.114 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -10.269 -8.480 -5.601 1.00 0.00 H new ATOM 196 N ASP A 13 -10.592 -3.089 -4.966 1.00 0.00 N ATOM 197 CA ASP A 13 -11.149 -1.821 -4.505 1.00 0.00 C ATOM 198 C ASP A 13 -10.061 -0.757 -4.381 1.00 0.00 C ATOM 199 O ASP A 13 -10.344 0.440 -4.423 1.00 0.00 O ATOM 200 CB ASP A 13 -11.849 -2.010 -3.159 1.00 0.00 C ATOM 201 CG ASP A 13 -12.888 -0.940 -2.891 1.00 0.00 C ATOM 202 OD1 ASP A 13 -13.353 -0.308 -3.863 1.00 0.00 O ATOM 203 OD2 ASP A 13 -13.238 -0.734 -1.709 1.00 0.00 O ATOM 0 H ASP A 13 -10.002 -3.563 -4.282 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.876 -1.483 -5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -12.326 -2.990 -3.136 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -11.106 -1.998 -2.362 1.00 0.00 H new ATOM 208 N ASP A 14 -8.815 -1.201 -4.226 1.00 0.00 N ATOM 209 CA ASP A 14 -7.683 -0.286 -4.094 1.00 0.00 C ATOM 210 C ASP A 14 -7.700 0.413 -2.739 1.00 0.00 C ATOM 211 O ASP A 14 -8.603 1.197 -2.444 1.00 0.00 O ATOM 212 CB ASP A 14 -7.698 0.753 -5.219 1.00 0.00 C ATOM 213 CG ASP A 14 -6.305 1.080 -5.721 1.00 0.00 C ATOM 214 OD1 ASP A 14 -5.545 1.737 -4.977 1.00 0.00 O ATOM 215 OD2 ASP A 14 -5.974 0.681 -6.857 1.00 0.00 O ATOM 0 H ASP A 14 -8.564 -2.189 -4.189 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.768 -0.874 -4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.301 0.380 -6.047 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.176 1.665 -4.862 1.00 0.00 H new ATOM 220 N LYS A 15 -6.696 0.122 -1.918 1.00 0.00 N ATOM 221 CA LYS A 15 -6.592 0.722 -0.592 1.00 0.00 C ATOM 222 C LYS A 15 -5.353 1.609 -0.494 1.00 0.00 C ATOM 223 O LYS A 15 -5.380 2.663 0.147 1.00 0.00 O ATOM 224 CB LYS A 15 -6.551 -0.370 0.478 1.00 0.00 C ATOM 225 CG LYS A 15 -7.893 -1.055 0.691 1.00 0.00 C ATOM 226 CD LYS A 15 -7.758 -2.297 1.556 1.00 0.00 C ATOM 227 CE LYS A 15 -9.096 -2.716 2.142 1.00 0.00 C ATOM 228 NZ LYS A 15 -9.634 -1.699 3.088 1.00 0.00 N ATOM 0 H LYS A 15 -5.942 -0.526 -2.147 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.471 1.345 -0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.810 -1.118 0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.220 0.067 1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.587 -0.358 1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.320 -1.328 -0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.349 -3.113 0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.051 -2.105 2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.811 -2.875 1.335 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.983 -3.669 2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.455 -2.093 3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.898 -1.441 3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.926 -0.853 2.559 1.00 0.00 H new ATOM 242 N CYS A 16 -4.272 1.181 -1.143 1.00 0.00 N ATOM 243 CA CYS A 16 -3.028 1.942 -1.143 1.00 0.00 C ATOM 244 C CYS A 16 -3.174 3.183 -2.015 1.00 0.00 C ATOM 245 O CYS A 16 -3.131 3.099 -3.242 1.00 0.00 O ATOM 246 CB CYS A 16 -1.870 1.082 -1.656 1.00 0.00 C ATOM 247 SG CYS A 16 -1.430 -0.313 -0.570 1.00 0.00 S ATOM 0 H CYS A 16 -4.234 0.311 -1.675 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.811 2.246 -0.119 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.131 0.692 -2.640 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.993 1.716 -1.787 1.00 0.00 H new ATOM 252 N CYS A 17 -3.362 4.329 -1.376 1.00 0.00 N ATOM 253 CA CYS A 17 -3.530 5.585 -2.098 1.00 0.00 C ATOM 254 C CYS A 17 -2.528 6.634 -1.627 1.00 0.00 C ATOM 255 O CYS A 17 -2.679 7.215 -0.553 1.00 0.00 O ATOM 256 CB CYS A 17 -4.958 6.110 -1.923 1.00 0.00 C ATOM 257 SG CYS A 17 -5.704 5.716 -0.308 1.00 0.00 S ATOM 0 H CYS A 17 -3.402 4.416 -0.361 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.346 5.390 -3.154 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.954 7.192 -2.055 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.585 5.695 -2.712 1.00 0.00 H new ATOM 262 N ARG A 18 -1.511 6.871 -2.446 1.00 0.00 N ATOM 263 CA ARG A 18 -0.479 7.852 -2.132 1.00 0.00 C ATOM 264 C ARG A 18 0.554 7.913 -3.252 1.00 0.00 C ATOM 265 O ARG A 18 0.964 6.881 -3.784 1.00 0.00 O ATOM 266 CB ARG A 18 0.205 7.513 -0.804 1.00 0.00 C ATOM 267 CG ARG A 18 0.552 8.735 0.033 1.00 0.00 C ATOM 268 CD ARG A 18 -0.672 9.596 0.304 1.00 0.00 C ATOM 269 NE ARG A 18 -0.789 9.952 1.717 1.00 0.00 N ATOM 270 CZ ARG A 18 0.050 10.770 2.348 1.00 0.00 C ATOM 271 NH1 ARG A 18 1.068 11.317 1.697 1.00 0.00 N ATOM 272 NH2 ARG A 18 -0.129 11.040 3.634 1.00 0.00 N ATOM 0 H ARG A 18 -1.378 6.394 -3.338 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.955 8.828 -2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.448 6.860 -0.225 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.117 6.952 -1.008 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.989 8.416 0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.307 9.328 -0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.616 10.505 -0.295 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.568 9.061 -0.011 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.559 9.550 2.251 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.211 11.111 0.708 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.708 11.943 2.185 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.910 10.621 4.139 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.514 11.667 4.118 1.00 0.00 H new ATOM 286 N PRO A 19 0.996 9.126 -3.628 1.00 0.00 N ATOM 287 CA PRO A 19 1.987 9.310 -4.690 1.00 0.00 C ATOM 288 C PRO A 19 3.229 8.479 -4.474 1.00 0.00 C ATOM 289 O PRO A 19 3.957 8.177 -5.420 1.00 0.00 O ATOM 290 CB PRO A 19 2.322 10.810 -4.634 1.00 0.00 C ATOM 291 CG PRO A 19 1.742 11.301 -3.349 1.00 0.00 C ATOM 292 CD PRO A 19 0.573 10.409 -3.053 1.00 0.00 C ATOM 0 HA PRO A 19 1.598 8.990 -5.657 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.399 10.973 -4.666 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.894 11.340 -5.485 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.479 11.257 -2.547 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.427 12.341 -3.436 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.384 10.331 -1.982 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.344 10.777 -3.513 1.00 0.00 H new ATOM 300 N LYS A 20 3.484 8.124 -3.232 1.00 0.00 N ATOM 301 CA LYS A 20 4.656 7.347 -2.916 1.00 0.00 C ATOM 302 C LYS A 20 4.307 5.925 -2.462 1.00 0.00 C ATOM 303 O LYS A 20 5.193 5.086 -2.310 1.00 0.00 O ATOM 304 CB LYS A 20 5.478 8.118 -1.885 1.00 0.00 C ATOM 305 CG LYS A 20 5.739 7.400 -0.561 1.00 0.00 C ATOM 306 CD LYS A 20 5.365 8.275 0.622 1.00 0.00 C ATOM 307 CE LYS A 20 3.856 8.406 0.758 1.00 0.00 C ATOM 308 NZ LYS A 20 3.474 9.255 1.920 1.00 0.00 N ATOM 0 H LYS A 20 2.897 8.361 -2.432 1.00 0.00 H new ATOM 0 HA LYS A 20 5.257 7.208 -3.815 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.439 8.372 -2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.967 9.057 -1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.165 6.474 -0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.792 7.125 -0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.779 7.850 1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.808 9.263 0.500 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.445 8.835 -0.156 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.415 7.416 0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.581 8.908 2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.221 9.212 2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.352 10.239 1.606 1.00 0.00 H new ATOM 322 N LEU A 21 3.020 5.656 -2.248 1.00 0.00 N ATOM 323 CA LEU A 21 2.587 4.329 -1.815 1.00 0.00 C ATOM 324 C LEU A 21 2.219 3.452 -3.006 1.00 0.00 C ATOM 325 O LEU A 21 1.937 3.949 -4.097 1.00 0.00 O ATOM 326 CB LEU A 21 1.394 4.427 -0.860 1.00 0.00 C ATOM 327 CG LEU A 21 1.723 4.934 0.544 1.00 0.00 C ATOM 328 CD1 LEU A 21 0.447 5.196 1.333 1.00 0.00 C ATOM 329 CD2 LEU A 21 2.608 3.936 1.274 1.00 0.00 C ATOM 0 H LEU A 21 2.266 6.332 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 21 3.425 3.870 -1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.649 5.088 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.936 3.442 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 21 2.266 5.875 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.703 5.556 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.151 5.948 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.125 4.272 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.833 4.312 2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.090 2.981 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.536 3.799 0.720 1.00 0.00 H new ATOM 341 N LYS A 22 2.222 2.142 -2.782 1.00 0.00 N ATOM 342 CA LYS A 22 1.887 1.177 -3.823 1.00 0.00 C ATOM 343 C LYS A 22 2.015 -0.246 -3.293 1.00 0.00 C ATOM 344 O LYS A 22 3.093 -0.665 -2.870 1.00 0.00 O ATOM 345 CB LYS A 22 2.798 1.364 -5.040 1.00 0.00 C ATOM 346 CG LYS A 22 2.081 1.193 -6.369 1.00 0.00 C ATOM 347 CD LYS A 22 2.790 1.942 -7.485 1.00 0.00 C ATOM 348 CE LYS A 22 1.983 1.919 -8.773 1.00 0.00 C ATOM 349 NZ LYS A 22 0.561 2.299 -8.544 1.00 0.00 N ATOM 0 H LYS A 22 2.455 1.722 -1.882 1.00 0.00 H new ATOM 0 HA LYS A 22 0.854 1.348 -4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.242 2.359 -5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.617 0.647 -4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.024 0.134 -6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.057 1.555 -6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.961 2.974 -7.180 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.769 1.495 -7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.430 2.603 -9.494 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.026 0.922 -9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.119 2.551 -9.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.051 1.497 -8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.519 3.114 -7.900 1.00 0.00 H new ATOM 363 N CYS A 23 0.910 -0.986 -3.312 1.00 0.00 N ATOM 364 CA CYS A 23 0.901 -2.362 -2.827 1.00 0.00 C ATOM 365 C CYS A 23 1.970 -3.194 -3.532 1.00 0.00 C ATOM 366 O CYS A 23 1.718 -3.785 -4.583 1.00 0.00 O ATOM 367 CB CYS A 23 -0.480 -2.990 -3.033 1.00 0.00 C ATOM 368 SG CYS A 23 -1.281 -3.539 -1.492 1.00 0.00 S ATOM 0 H CYS A 23 0.009 -0.655 -3.658 1.00 0.00 H new ATOM 0 HA CYS A 23 1.126 -2.348 -1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.127 -2.266 -3.529 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.383 -3.843 -3.704 1.00 0.00 H new ATOM 373 N SER A 24 3.163 -3.231 -2.947 1.00 0.00 N ATOM 374 CA SER A 24 4.272 -3.984 -3.517 1.00 0.00 C ATOM 375 C SER A 24 4.110 -5.478 -3.260 1.00 0.00 C ATOM 376 O SER A 24 3.488 -5.887 -2.278 1.00 0.00 O ATOM 377 CB SER A 24 5.600 -3.496 -2.934 1.00 0.00 C ATOM 378 OG SER A 24 6.690 -4.230 -3.463 1.00 0.00 O ATOM 0 H SER A 24 3.386 -2.747 -2.077 1.00 0.00 H new ATOM 0 HA SER A 24 4.272 -3.819 -4.594 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.730 -2.436 -3.154 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.583 -3.596 -1.849 1.00 0.00 H new ATOM 0 HG SER A 24 7.527 -3.898 -3.076 1.00 0.00 H new ATOM 384 N LYS A 25 4.677 -6.287 -4.150 1.00 0.00 N ATOM 385 CA LYS A 25 4.600 -7.740 -4.025 1.00 0.00 C ATOM 386 C LYS A 25 5.465 -8.248 -2.872 1.00 0.00 C ATOM 387 O LYS A 25 5.384 -9.418 -2.498 1.00 0.00 O ATOM 388 CB LYS A 25 5.025 -8.419 -5.333 1.00 0.00 C ATOM 389 CG LYS A 25 6.239 -7.788 -6.001 1.00 0.00 C ATOM 390 CD LYS A 25 7.396 -7.620 -5.028 1.00 0.00 C ATOM 391 CE LYS A 25 8.721 -7.476 -5.759 1.00 0.00 C ATOM 392 NZ LYS A 25 9.145 -8.750 -6.400 1.00 0.00 N ATOM 0 H LYS A 25 5.195 -5.961 -4.966 1.00 0.00 H new ATOM 0 HA LYS A 25 3.562 -7.995 -3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.241 -9.468 -5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.188 -8.394 -6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.556 -8.409 -6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.964 -6.816 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.225 -6.742 -4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.439 -8.480 -4.360 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.633 -6.699 -6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.489 -7.150 -5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.168 -8.721 -6.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.932 -9.546 -5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.632 -8.875 -7.296 1.00 0.00 H new ATOM 406 N LEU A 26 6.291 -7.367 -2.308 1.00 0.00 N ATOM 407 CA LEU A 26 7.163 -7.740 -1.197 1.00 0.00 C ATOM 408 C LEU A 26 6.374 -8.454 -0.104 1.00 0.00 C ATOM 409 O LEU A 26 6.762 -9.529 0.355 1.00 0.00 O ATOM 410 CB LEU A 26 7.850 -6.500 -0.621 1.00 0.00 C ATOM 411 CG LEU A 26 9.281 -6.722 -0.129 1.00 0.00 C ATOM 412 CD1 LEU A 26 9.329 -7.863 0.876 1.00 0.00 C ATOM 413 CD2 LEU A 26 10.210 -7.003 -1.301 1.00 0.00 C ATOM 0 H LEU A 26 6.374 -6.394 -2.602 1.00 0.00 H new ATOM 0 HA LEU A 26 7.923 -8.423 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.861 -5.722 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.251 -6.124 0.208 1.00 0.00 H new ATOM 0 HG LEU A 26 9.619 -5.813 0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.355 -8.006 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.695 -7.623 1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.971 -8.778 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.224 -7.158 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.874 -7.897 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.199 -6.155 -1.986 1.00 0.00 H new ATOM 425 N PHE A 27 5.262 -7.852 0.304 1.00 0.00 N ATOM 426 CA PHE A 27 4.414 -8.437 1.338 1.00 0.00 C ATOM 427 C PHE A 27 2.936 -8.100 1.126 1.00 0.00 C ATOM 428 O PHE A 27 2.103 -8.384 1.984 1.00 0.00 O ATOM 429 CB PHE A 27 4.862 -7.977 2.732 1.00 0.00 C ATOM 430 CG PHE A 27 5.128 -6.497 2.858 1.00 0.00 C ATOM 431 CD1 PHE A 27 4.655 -5.592 1.917 1.00 0.00 C ATOM 432 CD2 PHE A 27 5.854 -6.012 3.936 1.00 0.00 C ATOM 433 CE1 PHE A 27 4.900 -4.238 2.051 1.00 0.00 C ATOM 434 CE2 PHE A 27 6.103 -4.659 4.073 1.00 0.00 C ATOM 435 CZ PHE A 27 5.625 -3.771 3.130 1.00 0.00 C ATOM 0 H PHE A 27 4.927 -6.962 -0.064 1.00 0.00 H new ATOM 0 HA PHE A 27 4.523 -9.519 1.266 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.095 -8.256 3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.768 -8.519 3.003 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.089 -5.950 1.070 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.230 -6.701 4.678 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.525 -3.546 1.312 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.671 -4.297 4.917 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.818 -2.714 3.236 1.00 0.00 H new ATOM 445 N LYS A 28 2.610 -7.504 -0.023 1.00 0.00 N ATOM 446 CA LYS A 28 1.229 -7.143 -0.337 1.00 0.00 C ATOM 447 C LYS A 28 0.714 -6.051 0.599 1.00 0.00 C ATOM 448 O LYS A 28 -0.420 -6.110 1.074 1.00 0.00 O ATOM 449 CB LYS A 28 0.322 -8.372 -0.252 1.00 0.00 C ATOM 450 CG LYS A 28 0.782 -9.529 -1.124 1.00 0.00 C ATOM 451 CD LYS A 28 -0.397 -10.308 -1.685 1.00 0.00 C ATOM 452 CE LYS A 28 -0.133 -10.772 -3.108 1.00 0.00 C ATOM 453 NZ LYS A 28 -1.075 -11.846 -3.527 1.00 0.00 N ATOM 0 H LYS A 28 3.284 -7.262 -0.750 1.00 0.00 H new ATOM 0 HA LYS A 28 1.212 -6.756 -1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.273 -8.706 0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.689 -8.088 -0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.391 -9.148 -1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.416 -10.197 -0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.598 -11.172 -1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.290 -9.683 -1.665 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.223 -9.925 -3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.891 -11.137 -3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.861 -12.134 -4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.972 -12.665 -2.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.051 -11.491 -3.477 1.00 0.00 H new ATOM 467 N LEU A 29 1.552 -5.050 0.853 1.00 0.00 N ATOM 468 CA LEU A 29 1.176 -3.942 1.727 1.00 0.00 C ATOM 469 C LEU A 29 1.673 -2.614 1.160 1.00 0.00 C ATOM 470 O LEU A 29 2.675 -2.571 0.446 1.00 0.00 O ATOM 471 CB LEU A 29 1.741 -4.156 3.135 1.00 0.00 C ATOM 472 CG LEU A 29 0.911 -5.069 4.042 1.00 0.00 C ATOM 473 CD1 LEU A 29 1.166 -6.528 3.705 1.00 0.00 C ATOM 474 CD2 LEU A 29 1.228 -4.800 5.508 1.00 0.00 C ATOM 0 H LEU A 29 2.494 -4.983 0.467 1.00 0.00 H new ATOM 0 HA LEU A 29 0.088 -3.909 1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.744 -4.574 3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.842 -3.185 3.619 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.144 -4.853 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.568 -7.162 4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.891 -6.715 2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.223 -6.755 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.628 -5.458 6.137 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.286 -4.987 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.997 -3.762 5.746 1.00 0.00 H new ATOM 486 N CYS A 30 0.966 -1.531 1.477 1.00 0.00 N ATOM 487 CA CYS A 30 1.339 -0.204 0.991 1.00 0.00 C ATOM 488 C CYS A 30 2.779 0.131 1.371 1.00 0.00 C ATOM 489 O CYS A 30 3.119 0.196 2.553 1.00 0.00 O ATOM 490 CB CYS A 30 0.392 0.861 1.553 1.00 0.00 C ATOM 491 SG CYS A 30 -1.375 0.506 1.286 1.00 0.00 S ATOM 0 H CYS A 30 0.134 -1.546 2.067 1.00 0.00 H new ATOM 0 HA CYS A 30 1.259 -0.212 -0.096 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.573 0.963 2.623 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.631 1.821 1.096 1.00 0.00 H new ATOM 496 N ASN A 31 3.618 0.343 0.363 1.00 0.00 N ATOM 497 CA ASN A 31 5.020 0.672 0.592 1.00 0.00 C ATOM 498 C ASN A 31 5.399 1.968 -0.117 1.00 0.00 C ATOM 499 O ASN A 31 4.947 2.234 -1.231 1.00 0.00 O ATOM 500 CB ASN A 31 5.917 -0.468 0.105 1.00 0.00 C ATOM 501 CG ASN A 31 7.193 -0.586 0.917 1.00 0.00 C ATOM 502 OD1 ASN A 31 7.163 -0.571 2.148 1.00 0.00 O ATOM 503 ND2 ASN A 31 8.323 -0.705 0.229 1.00 0.00 N ATOM 0 H ASN A 31 3.352 0.293 -0.620 1.00 0.00 H new ATOM 0 HA ASN A 31 5.164 0.810 1.664 1.00 0.00 H new ATOM 0 HB2 ASN A 31 5.367 -1.408 0.158 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.170 -0.306 -0.943 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.213 -0.789 0.720 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.301 -0.713 -0.791 1.00 0.00 H new ATOM 510 N PHE A 32 6.231 2.772 0.537 1.00 0.00 N ATOM 511 CA PHE A 32 6.671 4.042 -0.029 1.00 0.00 C ATOM 512 C PHE A 32 7.426 3.820 -1.337 1.00 0.00 C ATOM 513 O PHE A 32 7.554 2.689 -1.806 1.00 0.00 O ATOM 514 CB PHE A 32 7.561 4.789 0.969 1.00 0.00 C ATOM 515 CG PHE A 32 6.800 5.601 1.986 1.00 0.00 C ATOM 516 CD1 PHE A 32 5.430 5.443 2.153 1.00 0.00 C ATOM 517 CD2 PHE A 32 7.462 6.523 2.782 1.00 0.00 C ATOM 518 CE1 PHE A 32 4.740 6.188 3.089 1.00 0.00 C ATOM 519 CE2 PHE A 32 6.776 7.271 3.721 1.00 0.00 C ATOM 520 CZ PHE A 32 5.414 7.104 3.875 1.00 0.00 C ATOM 0 H PHE A 32 6.614 2.566 1.460 1.00 0.00 H new ATOM 0 HA PHE A 32 5.788 4.645 -0.238 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.187 4.066 1.492 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.230 5.451 0.418 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.898 4.728 1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.527 6.659 2.667 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.675 6.055 3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.305 7.986 4.334 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.877 7.688 4.608 1.00 0.00 H new ATOM 530 N SER A 33 7.921 4.906 -1.921 1.00 0.00 N ATOM 531 CA SER A 33 8.662 4.827 -3.175 1.00 0.00 C ATOM 532 C SER A 33 10.146 5.096 -2.949 1.00 0.00 C ATOM 533 O SER A 33 11.003 4.461 -3.562 1.00 0.00 O ATOM 534 CB SER A 33 8.099 5.827 -4.188 1.00 0.00 C ATOM 535 OG SER A 33 8.428 7.157 -3.827 1.00 0.00 O ATOM 0 H SER A 33 7.823 5.850 -1.547 1.00 0.00 H new ATOM 0 HA SER A 33 8.551 3.817 -3.570 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.495 5.607 -5.179 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.016 5.720 -4.246 1.00 0.00 H new ATOM 0 HG SER A 33 8.059 7.777 -4.490 1.00 0.00 H new ATOM 541 N PHE A 34 10.443 6.044 -2.065 1.00 0.00 N ATOM 542 CA PHE A 34 11.824 6.397 -1.758 1.00 0.00 C ATOM 543 C PHE A 34 12.579 5.198 -1.196 1.00 0.00 C ATOM 544 O PHE A 34 12.253 4.769 -0.069 1.00 0.00 O ATOM 545 CB PHE A 34 11.866 7.556 -0.760 1.00 0.00 C ATOM 546 CG PHE A 34 12.967 8.541 -1.030 1.00 0.00 C ATOM 547 CD1 PHE A 34 14.250 8.104 -1.319 1.00 0.00 C ATOM 548 CD2 PHE A 34 12.719 9.904 -0.996 1.00 0.00 C ATOM 549 CE1 PHE A 34 15.265 9.008 -1.569 1.00 0.00 C ATOM 550 CE2 PHE A 34 13.730 10.812 -1.245 1.00 0.00 C ATOM 551 CZ PHE A 34 15.005 10.364 -1.531 1.00 0.00 C ATOM 552 OXT PHE A 34 13.491 4.697 -1.888 1.00 0.00 O ATOM 0 H PHE A 34 9.746 6.581 -1.549 1.00 0.00 H new ATOM 0 HA PHE A 34 12.309 6.707 -2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 34 10.909 8.078 -0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 34 11.988 7.154 0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 34 14.459 7.045 -1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.724 10.260 -0.772 1.00 0.00 H new ATOM 0 HE1 PHE A 34 16.260 8.655 -1.794 1.00 0.00 H new ATOM 0 HE2 PHE A 34 13.524 11.872 -1.216 1.00 0.00 H new ATOM 0 HZ PHE A 34 15.797 11.072 -1.724 1.00 0.00 H new TER 562 PHE A 34