USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 278 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= -0.0431 (180deg=-0.316) USER MOD Single : A 10 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.18) USER MOD Single : A 12 ASN : amide:sc= 0.108 X(o=0.11,f=-0.039) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0108) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -135:sc= -2.37! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -151:sc= -0.0285 (180deg=-1.44) USER MOD Single : A 31 ASN : amide:sc= -2.85 K(o=-2.8,f=-5.4!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.312 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.066 7.258 -1.013 1.00 0.00 N ATOM 2 CA GLY A 1 -8.518 6.145 -1.896 1.00 0.00 C ATOM 3 C GLY A 1 -7.574 4.952 -1.740 1.00 0.00 C ATOM 4 O GLY A 1 -8.000 3.839 -1.505 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.709 8.069 -1.120 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.072 6.940 -0.023 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.102 7.543 -1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.536 5.853 -1.638 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.535 6.475 -2.935 1.00 0.00 H new ATOM 10 N CYS A 2 -6.295 5.173 -1.871 1.00 0.00 N ATOM 11 CA CYS A 2 -5.329 4.047 -1.731 1.00 0.00 C ATOM 12 C CYS A 2 -5.077 3.741 -0.255 1.00 0.00 C ATOM 13 O CYS A 2 -5.767 4.224 0.620 1.00 0.00 O ATOM 14 CB CYS A 2 -4.048 4.536 -2.401 1.00 0.00 C ATOM 15 SG CYS A 2 -3.502 6.078 -1.625 1.00 0.00 S ATOM 0 H CYS A 2 -5.878 6.083 -2.069 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.702 3.129 -2.185 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.269 3.779 -2.314 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.221 4.695 -3.465 1.00 0.00 H new ATOM 20 N LEU A 3 -4.093 2.932 0.025 1.00 0.00 N ATOM 21 CA LEU A 3 -3.795 2.580 1.440 1.00 0.00 C ATOM 22 C LEU A 3 -2.667 3.461 1.988 1.00 0.00 C ATOM 23 O LEU A 3 -2.620 4.650 1.742 1.00 0.00 O ATOM 24 CB LEU A 3 -3.360 1.118 1.385 1.00 0.00 C ATOM 25 CG LEU A 3 -4.366 0.317 0.557 1.00 0.00 C ATOM 26 CD1 LEU A 3 -3.993 -1.165 0.594 1.00 0.00 C ATOM 27 CD2 LEU A 3 -5.768 0.506 1.141 1.00 0.00 C ATOM 0 H LEU A 3 -3.482 2.499 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.651 2.733 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.366 1.040 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.295 0.709 2.393 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.350 0.668 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.710 -1.736 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.994 -1.299 0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.009 -1.519 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.487 -0.064 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.783 0.154 2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.034 1.563 1.114 1.00 0.00 H new ATOM 39 N GLU A 4 -1.764 2.888 2.737 1.00 0.00 N ATOM 40 CA GLU A 4 -0.648 3.697 3.305 1.00 0.00 C ATOM 41 C GLU A 4 0.697 3.224 2.756 1.00 0.00 C ATOM 42 O GLU A 4 0.769 2.519 1.770 1.00 0.00 O ATOM 43 CB GLU A 4 -0.724 3.472 4.816 1.00 0.00 C ATOM 44 CG GLU A 4 -0.573 4.810 5.542 1.00 0.00 C ATOM 45 CD GLU A 4 -1.850 5.634 5.366 1.00 0.00 C ATOM 46 OE1 GLU A 4 -2.919 5.080 5.553 1.00 0.00 O ATOM 47 OE2 GLU A 4 -1.735 6.807 5.047 1.00 0.00 O ATOM 0 H GLU A 4 -1.751 1.897 2.980 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.735 4.752 3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.676 3.010 5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.061 2.785 5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.380 4.641 6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.283 5.357 5.145 1.00 0.00 H new ATOM 54 N PHE A 5 1.764 3.625 3.384 1.00 0.00 N ATOM 55 CA PHE A 5 3.118 3.227 2.903 1.00 0.00 C ATOM 56 C PHE A 5 3.455 1.792 3.325 1.00 0.00 C ATOM 57 O PHE A 5 4.500 1.271 2.988 1.00 0.00 O ATOM 58 CB PHE A 5 4.066 4.214 3.582 1.00 0.00 C ATOM 59 CG PHE A 5 5.244 4.492 2.683 1.00 0.00 C ATOM 60 CD1 PHE A 5 5.159 5.497 1.713 1.00 0.00 C ATOM 61 CD2 PHE A 5 6.421 3.748 2.822 1.00 0.00 C ATOM 62 CE1 PHE A 5 6.253 5.759 0.882 1.00 0.00 C ATOM 63 CE2 PHE A 5 7.515 4.010 1.989 1.00 0.00 C ATOM 64 CZ PHE A 5 7.431 5.016 1.019 1.00 0.00 C ATOM 0 H PHE A 5 1.759 4.215 4.216 1.00 0.00 H new ATOM 0 HA PHE A 5 3.189 3.251 1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.540 5.142 3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.410 3.806 4.532 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.250 6.070 1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.485 2.973 3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.189 6.535 0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.424 3.436 2.095 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.275 5.219 0.377 1.00 0.00 H new ATOM 74 N TRP A 6 2.595 1.151 4.067 1.00 0.00 N ATOM 75 CA TRP A 6 2.899 -0.241 4.507 1.00 0.00 C ATOM 76 C TRP A 6 1.620 -0.963 4.943 1.00 0.00 C ATOM 77 O TRP A 6 1.497 -1.402 6.069 1.00 0.00 O ATOM 78 CB TRP A 6 3.848 -0.059 5.693 1.00 0.00 C ATOM 79 CG TRP A 6 4.435 -1.373 6.093 1.00 0.00 C ATOM 80 CD1 TRP A 6 4.199 -2.001 7.266 1.00 0.00 C ATOM 81 CD2 TRP A 6 5.353 -2.225 5.350 1.00 0.00 C ATOM 82 NE1 TRP A 6 4.915 -3.184 7.293 1.00 0.00 N ATOM 83 CE2 TRP A 6 5.640 -3.369 6.133 1.00 0.00 C ATOM 84 CE3 TRP A 6 5.957 -2.121 4.086 1.00 0.00 C ATOM 85 CZ2 TRP A 6 6.496 -4.372 5.679 1.00 0.00 C ATOM 86 CZ3 TRP A 6 6.819 -3.129 3.626 1.00 0.00 C ATOM 87 CH2 TRP A 6 7.088 -4.252 4.419 1.00 0.00 C ATOM 0 H TRP A 6 1.702 1.526 4.386 1.00 0.00 H new ATOM 0 HA TRP A 6 3.334 -0.846 3.711 1.00 0.00 H new ATOM 0 HB2 TRP A 6 4.644 0.637 5.427 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.310 0.378 6.534 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.556 -1.638 8.054 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.908 -3.840 8.074 1.00 0.00 H new ATOM 0 HE3 TRP A 6 5.757 -1.261 3.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 6.700 -5.234 6.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 7.278 -3.038 2.653 1.00 0.00 H new ATOM 0 HH2 TRP A 6 7.752 -5.023 4.057 1.00 0.00 H new ATOM 98 N TRP A 7 0.675 -1.100 4.058 1.00 0.00 N ATOM 99 CA TRP A 7 -0.589 -1.804 4.416 1.00 0.00 C ATOM 100 C TRP A 7 -0.683 -3.107 3.620 1.00 0.00 C ATOM 101 O TRP A 7 0.106 -3.345 2.729 1.00 0.00 O ATOM 102 CB TRP A 7 -1.706 -0.841 4.018 1.00 0.00 C ATOM 103 CG TRP A 7 -1.994 0.081 5.159 1.00 0.00 C ATOM 104 CD1 TRP A 7 -1.164 0.303 6.203 1.00 0.00 C ATOM 105 CD2 TRP A 7 -3.175 0.902 5.391 1.00 0.00 C ATOM 106 NE1 TRP A 7 -1.759 1.210 7.061 1.00 0.00 N ATOM 107 CE2 TRP A 7 -3.000 1.608 6.605 1.00 0.00 C ATOM 108 CE3 TRP A 7 -4.369 1.101 4.674 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -3.975 2.480 7.091 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -5.351 1.978 5.161 1.00 0.00 C ATOM 111 CH2 TRP A 7 -5.155 2.666 6.367 1.00 0.00 C ATOM 0 H TRP A 7 0.722 -0.755 3.099 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.646 -2.064 5.473 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.412 -0.269 3.138 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.604 -1.398 3.750 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.195 -0.153 6.344 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.333 1.544 7.925 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.531 0.576 3.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.818 3.007 8.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.264 2.124 4.603 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.915 3.339 6.736 1.00 0.00 H new ATOM 122 N LYS A 8 -1.626 -3.956 3.928 1.00 0.00 N ATOM 123 CA LYS A 8 -1.733 -5.236 3.168 1.00 0.00 C ATOM 124 C LYS A 8 -1.545 -4.975 1.678 1.00 0.00 C ATOM 125 O LYS A 8 -1.719 -3.872 1.201 1.00 0.00 O ATOM 126 CB LYS A 8 -3.136 -5.796 3.428 1.00 0.00 C ATOM 127 CG LYS A 8 -4.143 -4.665 3.661 1.00 0.00 C ATOM 128 CD LYS A 8 -4.481 -4.582 5.149 1.00 0.00 C ATOM 129 CE LYS A 8 -5.812 -5.293 5.409 1.00 0.00 C ATOM 130 NZ LYS A 8 -5.466 -6.739 5.509 1.00 0.00 N ATOM 0 H LYS A 8 -2.320 -3.822 4.664 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.966 -5.942 3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.453 -6.401 2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.114 -6.453 4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.727 -3.717 3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.048 -4.845 3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.689 -5.042 5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.546 -3.540 5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.278 -4.935 6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.520 -5.112 4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.291 -7.271 5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.190 -7.096 4.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.675 -6.862 6.173 1.00 0.00 H new ATOM 144 N CYS A 9 -1.188 -5.983 0.941 1.00 0.00 N ATOM 145 CA CYS A 9 -0.985 -5.789 -0.523 1.00 0.00 C ATOM 146 C CYS A 9 -1.180 -7.104 -1.276 1.00 0.00 C ATOM 147 O CYS A 9 -1.209 -8.170 -0.693 1.00 0.00 O ATOM 148 CB CYS A 9 0.457 -5.305 -0.663 1.00 0.00 C ATOM 149 SG CYS A 9 1.587 -6.663 -0.264 1.00 0.00 S ATOM 0 H CYS A 9 -1.028 -6.930 1.283 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.700 -5.080 -0.941 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.637 -4.953 -1.679 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.635 -4.461 0.003 1.00 0.00 H new ATOM 154 N ASN A 10 -1.309 -7.036 -2.571 1.00 0.00 N ATOM 155 CA ASN A 10 -1.496 -8.276 -3.371 1.00 0.00 C ATOM 156 C ASN A 10 -1.135 -8.015 -4.839 1.00 0.00 C ATOM 157 O ASN A 10 -1.697 -7.142 -5.469 1.00 0.00 O ATOM 158 CB ASN A 10 -2.981 -8.614 -3.236 1.00 0.00 C ATOM 159 CG ASN A 10 -3.144 -10.119 -3.020 1.00 0.00 C ATOM 160 OD1 ASN A 10 -3.826 -10.544 -2.108 1.00 0.00 O ATOM 161 ND2 ASN A 10 -2.544 -10.950 -3.827 1.00 0.00 N ATOM 0 H ASN A 10 -1.293 -6.171 -3.111 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.860 -9.092 -3.026 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.415 -8.067 -2.399 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.518 -8.304 -4.132 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.647 -11.956 -3.693 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.972 -10.594 -4.592 1.00 0.00 H new ATOM 168 N PRO A 11 -0.211 -8.791 -5.336 1.00 0.00 N ATOM 169 CA PRO A 11 0.230 -8.654 -6.748 1.00 0.00 C ATOM 170 C PRO A 11 -0.929 -8.975 -7.696 1.00 0.00 C ATOM 171 O PRO A 11 -0.875 -8.696 -8.877 1.00 0.00 O ATOM 172 CB PRO A 11 1.362 -9.675 -6.869 1.00 0.00 C ATOM 173 CG PRO A 11 1.091 -10.661 -5.781 1.00 0.00 C ATOM 174 CD PRO A 11 0.504 -9.867 -4.646 1.00 0.00 C ATOM 0 HA PRO A 11 0.555 -7.647 -7.010 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.362 -10.154 -7.848 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.337 -9.204 -6.744 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.399 -11.434 -6.117 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.007 -11.165 -5.473 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.167 -10.471 -4.035 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.277 -9.478 -3.983 1.00 0.00 H new ATOM 182 N ASN A 12 -1.984 -9.539 -7.178 1.00 0.00 N ATOM 183 CA ASN A 12 -3.158 -9.856 -8.038 1.00 0.00 C ATOM 184 C ASN A 12 -4.209 -8.757 -7.877 1.00 0.00 C ATOM 185 O ASN A 12 -5.128 -8.634 -8.664 1.00 0.00 O ATOM 186 CB ASN A 12 -3.685 -11.195 -7.518 1.00 0.00 C ATOM 187 CG ASN A 12 -4.438 -11.914 -8.637 1.00 0.00 C ATOM 188 OD1 ASN A 12 -4.502 -13.128 -8.660 1.00 0.00 O ATOM 189 ND2 ASN A 12 -5.018 -11.214 -9.572 1.00 0.00 N ATOM 0 H ASN A 12 -2.084 -9.794 -6.196 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.906 -9.914 -9.097 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.858 -11.812 -7.167 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.346 -11.032 -6.666 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.525 -11.685 -10.322 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.965 -10.196 -9.554 1.00 0.00 H new ATOM 196 N ASP A 13 -4.070 -7.951 -6.858 1.00 0.00 N ATOM 197 CA ASP A 13 -5.041 -6.845 -6.629 1.00 0.00 C ATOM 198 C ASP A 13 -4.428 -5.817 -5.675 1.00 0.00 C ATOM 199 O ASP A 13 -5.008 -5.463 -4.667 1.00 0.00 O ATOM 200 CB ASP A 13 -6.264 -7.511 -5.995 1.00 0.00 C ATOM 201 CG ASP A 13 -7.465 -7.371 -6.933 1.00 0.00 C ATOM 202 OD1 ASP A 13 -7.762 -6.253 -7.320 1.00 0.00 O ATOM 203 OD2 ASP A 13 -8.068 -8.384 -7.247 1.00 0.00 O ATOM 0 H ASP A 13 -3.319 -8.013 -6.170 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.304 -6.319 -7.547 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.059 -8.564 -5.804 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.485 -7.049 -5.033 1.00 0.00 H new ATOM 208 N ASP A 14 -3.254 -5.341 -5.985 1.00 0.00 N ATOM 209 CA ASP A 14 -2.592 -4.342 -5.097 1.00 0.00 C ATOM 210 C ASP A 14 -3.454 -3.083 -4.973 1.00 0.00 C ATOM 211 O ASP A 14 -4.228 -2.757 -5.851 1.00 0.00 O ATOM 212 CB ASP A 14 -1.264 -4.014 -5.780 1.00 0.00 C ATOM 213 CG ASP A 14 -1.500 -3.768 -7.271 1.00 0.00 C ATOM 214 OD1 ASP A 14 -2.614 -3.418 -7.625 1.00 0.00 O ATOM 215 OD2 ASP A 14 -0.563 -3.935 -8.034 1.00 0.00 O ATOM 0 H ASP A 14 -2.723 -5.601 -6.816 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.447 -4.728 -4.088 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.816 -3.132 -5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.561 -4.836 -5.644 1.00 0.00 H new ATOM 220 N LYS A 15 -3.328 -2.378 -3.884 1.00 0.00 N ATOM 221 CA LYS A 15 -4.144 -1.142 -3.696 1.00 0.00 C ATOM 222 C LYS A 15 -3.303 -0.011 -3.085 1.00 0.00 C ATOM 223 O LYS A 15 -3.647 1.149 -3.195 1.00 0.00 O ATOM 224 CB LYS A 15 -5.261 -1.560 -2.739 1.00 0.00 C ATOM 225 CG LYS A 15 -6.234 -0.396 -2.541 1.00 0.00 C ATOM 226 CD LYS A 15 -7.217 -0.739 -1.421 1.00 0.00 C ATOM 227 CE LYS A 15 -8.293 -1.686 -1.956 1.00 0.00 C ATOM 228 NZ LYS A 15 -8.480 -2.702 -0.883 1.00 0.00 N ATOM 0 H LYS A 15 -2.696 -2.602 -3.115 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.527 -0.758 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.790 -2.425 -3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.838 -1.860 -1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.685 0.512 -2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.775 -0.199 -3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.689 -1.205 -0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.678 0.171 -1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.221 -1.153 -2.161 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.980 -2.152 -2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.204 -3.388 -1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.582 -3.198 -0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.785 -2.230 -0.008 1.00 0.00 H new ATOM 242 N CYS A 16 -2.208 -0.331 -2.440 1.00 0.00 N ATOM 243 CA CYS A 16 -1.362 0.738 -1.828 1.00 0.00 C ATOM 244 C CYS A 16 -1.246 1.929 -2.781 1.00 0.00 C ATOM 245 O CYS A 16 -1.204 1.769 -3.984 1.00 0.00 O ATOM 246 CB CYS A 16 0.011 0.096 -1.607 1.00 0.00 C ATOM 247 SG CYS A 16 1.038 1.211 -0.613 1.00 0.00 S ATOM 0 H CYS A 16 -1.865 -1.283 -2.312 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.788 1.111 -0.897 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.100 -0.863 -1.101 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.491 -0.103 -2.565 1.00 0.00 H new ATOM 252 N CYS A 17 -1.191 3.122 -2.253 1.00 0.00 N ATOM 253 CA CYS A 17 -1.074 4.317 -3.136 1.00 0.00 C ATOM 254 C CYS A 17 -0.042 4.041 -4.232 1.00 0.00 C ATOM 255 O CYS A 17 0.751 3.126 -4.128 1.00 0.00 O ATOM 256 CB CYS A 17 -0.601 5.452 -2.223 1.00 0.00 C ATOM 257 SG CYS A 17 -1.716 5.609 -0.804 1.00 0.00 S ATOM 0 H CYS A 17 -1.222 3.320 -1.253 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.014 4.568 -3.627 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.414 5.254 -1.879 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.572 6.389 -2.779 1.00 0.00 H new ATOM 262 N ARG A 18 -0.038 4.814 -5.281 1.00 0.00 N ATOM 263 CA ARG A 18 0.954 4.567 -6.365 1.00 0.00 C ATOM 264 C ARG A 18 1.955 5.726 -6.503 1.00 0.00 C ATOM 265 O ARG A 18 2.384 6.029 -7.600 1.00 0.00 O ATOM 266 CB ARG A 18 0.123 4.423 -7.644 1.00 0.00 C ATOM 267 CG ARG A 18 -0.981 5.486 -7.673 1.00 0.00 C ATOM 268 CD ARG A 18 -2.283 4.884 -7.138 1.00 0.00 C ATOM 269 NE ARG A 18 -3.344 5.860 -7.513 1.00 0.00 N ATOM 270 CZ ARG A 18 -4.575 5.668 -7.122 1.00 0.00 C ATOM 271 NH1 ARG A 18 -4.854 5.617 -5.847 1.00 0.00 N ATOM 272 NH2 ARG A 18 -5.528 5.527 -8.003 1.00 0.00 N ATOM 0 H ARG A 18 -0.671 5.599 -5.435 1.00 0.00 H new ATOM 0 HA ARG A 18 1.552 3.681 -6.153 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.765 4.529 -8.519 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.318 3.427 -7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.690 6.345 -7.068 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.126 5.847 -8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.475 3.905 -7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.239 4.745 -6.058 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.109 6.678 -8.075 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.111 5.727 -5.157 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.815 5.467 -5.541 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.312 5.567 -8.999 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.489 5.377 -7.695 1.00 0.00 H new ATOM 286 N PRO A 19 2.326 6.330 -5.397 1.00 0.00 N ATOM 287 CA PRO A 19 3.307 7.434 -5.450 1.00 0.00 C ATOM 288 C PRO A 19 4.714 6.855 -5.604 1.00 0.00 C ATOM 289 O PRO A 19 5.574 7.444 -6.225 1.00 0.00 O ATOM 290 CB PRO A 19 3.159 8.120 -4.097 1.00 0.00 C ATOM 291 CG PRO A 19 2.631 7.063 -3.180 1.00 0.00 C ATOM 292 CD PRO A 19 1.879 6.064 -4.023 1.00 0.00 C ATOM 0 HA PRO A 19 3.146 8.118 -6.283 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.115 8.506 -3.744 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.476 8.967 -4.157 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.447 6.576 -2.646 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.975 7.501 -2.428 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.106 5.041 -3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.801 6.193 -3.924 1.00 0.00 H new ATOM 300 N LYS A 20 4.942 5.697 -5.038 1.00 0.00 N ATOM 301 CA LYS A 20 6.290 5.058 -5.134 1.00 0.00 C ATOM 302 C LYS A 20 6.339 3.782 -4.285 1.00 0.00 C ATOM 303 O LYS A 20 7.349 3.469 -3.685 1.00 0.00 O ATOM 304 CB LYS A 20 7.266 6.093 -4.568 1.00 0.00 C ATOM 305 CG LYS A 20 6.803 6.516 -3.172 1.00 0.00 C ATOM 306 CD LYS A 20 6.829 8.042 -3.062 1.00 0.00 C ATOM 307 CE LYS A 20 8.207 8.498 -2.574 1.00 0.00 C ATOM 308 NZ LYS A 20 8.934 8.916 -3.806 1.00 0.00 N ATOM 0 H LYS A 20 4.250 5.164 -4.511 1.00 0.00 H new ATOM 0 HA LYS A 20 6.531 4.776 -6.159 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.271 5.673 -4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.315 6.961 -5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.795 6.145 -2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.451 6.076 -2.414 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.608 8.490 -4.031 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.057 8.380 -2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.122 9.323 -1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.731 7.691 -2.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.856 9.321 -3.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.080 8.090 -4.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.374 9.630 -4.314 1.00 0.00 H new ATOM 322 N LEU A 21 5.263 3.044 -4.219 1.00 0.00 N ATOM 323 CA LEU A 21 5.278 1.802 -3.393 1.00 0.00 C ATOM 324 C LEU A 21 4.743 0.607 -4.180 1.00 0.00 C ATOM 325 O LEU A 21 4.178 0.744 -5.248 1.00 0.00 O ATOM 326 CB LEU A 21 4.354 2.087 -2.213 1.00 0.00 C ATOM 327 CG LEU A 21 4.928 3.217 -1.360 1.00 0.00 C ATOM 328 CD1 LEU A 21 3.909 4.355 -1.268 1.00 0.00 C ATOM 329 CD2 LEU A 21 5.226 2.686 0.043 1.00 0.00 C ATOM 0 H LEU A 21 4.384 3.244 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 21 6.293 1.553 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.363 2.361 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.235 1.188 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 21 5.846 3.589 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.318 5.161 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.691 4.730 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.991 3.985 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.636 3.488 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.305 2.317 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.949 1.873 -0.022 1.00 0.00 H new ATOM 341 N LYS A 22 4.910 -0.565 -3.638 1.00 0.00 N ATOM 342 CA LYS A 22 4.415 -1.792 -4.306 1.00 0.00 C ATOM 343 C LYS A 22 4.346 -2.942 -3.293 1.00 0.00 C ATOM 344 O LYS A 22 5.210 -3.083 -2.451 1.00 0.00 O ATOM 345 CB LYS A 22 5.436 -2.090 -5.403 1.00 0.00 C ATOM 346 CG LYS A 22 4.705 -2.333 -6.726 1.00 0.00 C ATOM 347 CD LYS A 22 5.573 -3.208 -7.633 1.00 0.00 C ATOM 348 CE LYS A 22 6.934 -2.538 -7.838 1.00 0.00 C ATOM 349 NZ LYS A 22 7.053 -2.356 -9.311 1.00 0.00 N ATOM 0 H LYS A 22 5.377 -0.724 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 22 3.413 -1.670 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.129 -1.255 -5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.028 -2.965 -5.136 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.747 -2.820 -6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.491 -1.383 -7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.705 -4.194 -7.187 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.080 -3.356 -8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.987 -1.582 -7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.742 -3.158 -7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.962 -1.901 -9.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.006 -3.283 -9.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.274 -1.756 -9.651 1.00 0.00 H new ATOM 363 N CYS A 23 3.323 -3.757 -3.363 1.00 0.00 N ATOM 364 CA CYS A 23 3.195 -4.896 -2.399 1.00 0.00 C ATOM 365 C CYS A 23 4.567 -5.500 -2.082 1.00 0.00 C ATOM 366 O CYS A 23 5.465 -5.501 -2.900 1.00 0.00 O ATOM 367 CB CYS A 23 2.319 -5.932 -3.112 1.00 0.00 C ATOM 368 SG CYS A 23 2.142 -7.397 -2.063 1.00 0.00 S ATOM 0 H CYS A 23 2.569 -3.684 -4.047 1.00 0.00 H new ATOM 0 HA CYS A 23 2.765 -4.571 -1.452 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.339 -5.507 -3.330 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.767 -6.207 -4.067 1.00 0.00 H new ATOM 373 N SER A 24 4.731 -6.012 -0.892 1.00 0.00 N ATOM 374 CA SER A 24 6.035 -6.616 -0.506 1.00 0.00 C ATOM 375 C SER A 24 5.807 -7.919 0.262 1.00 0.00 C ATOM 376 O SER A 24 5.086 -7.958 1.245 1.00 0.00 O ATOM 377 CB SER A 24 6.697 -5.578 0.396 1.00 0.00 C ATOM 378 OG SER A 24 7.638 -4.830 -0.363 1.00 0.00 O ATOM 0 H SER A 24 4.013 -6.037 -0.168 1.00 0.00 H new ATOM 0 HA SER A 24 6.650 -6.859 -1.372 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.944 -4.914 0.820 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.195 -6.070 1.232 1.00 0.00 H new ATOM 0 HG SER A 24 8.470 -4.737 0.147 1.00 0.00 H new ATOM 384 N LYS A 25 6.419 -8.985 -0.182 1.00 0.00 N ATOM 385 CA LYS A 25 6.251 -10.294 0.509 1.00 0.00 C ATOM 386 C LYS A 25 6.892 -10.243 1.898 1.00 0.00 C ATOM 387 O LYS A 25 6.598 -11.053 2.755 1.00 0.00 O ATOM 388 CB LYS A 25 6.982 -11.304 -0.379 1.00 0.00 C ATOM 389 CG LYS A 25 6.374 -12.694 -0.184 1.00 0.00 C ATOM 390 CD LYS A 25 6.997 -13.356 1.046 1.00 0.00 C ATOM 391 CE LYS A 25 7.766 -14.609 0.620 1.00 0.00 C ATOM 392 NZ LYS A 25 8.851 -14.757 1.629 1.00 0.00 N ATOM 0 H LYS A 25 7.031 -9.004 -0.998 1.00 0.00 H new ATOM 0 HA LYS A 25 5.203 -10.556 0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.906 -11.006 -1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.043 -11.322 -0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.294 -12.616 -0.060 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.550 -13.307 -1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.668 -12.658 1.547 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.219 -13.620 1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.117 -15.485 0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.174 -14.499 -0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.422 -15.596 1.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.457 -13.912 1.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.433 -14.867 2.575 1.00 0.00 H new ATOM 406 N LEU A 26 7.764 -9.300 2.126 1.00 0.00 N ATOM 407 CA LEU A 26 8.422 -9.203 3.459 1.00 0.00 C ATOM 408 C LEU A 26 7.393 -9.420 4.570 1.00 0.00 C ATOM 409 O LEU A 26 7.636 -10.132 5.523 1.00 0.00 O ATOM 410 CB LEU A 26 8.993 -7.786 3.520 1.00 0.00 C ATOM 411 CG LEU A 26 10.514 -7.842 3.363 1.00 0.00 C ATOM 412 CD1 LEU A 26 10.934 -7.012 2.148 1.00 0.00 C ATOM 413 CD2 LEU A 26 11.177 -7.275 4.620 1.00 0.00 C ATOM 0 H LEU A 26 8.049 -8.593 1.448 1.00 0.00 H new ATOM 0 HA LEU A 26 9.198 -9.957 3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.558 -7.173 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.732 -7.318 4.469 1.00 0.00 H new ATOM 0 HG LEU A 26 10.826 -8.877 3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.018 -7.052 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.462 -7.414 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.622 -5.977 2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.261 -7.314 4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.864 -6.240 4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.879 -7.866 5.486 1.00 0.00 H new ATOM 425 N PHE A 27 6.244 -8.814 4.451 1.00 0.00 N ATOM 426 CA PHE A 27 5.198 -8.990 5.498 1.00 0.00 C ATOM 427 C PHE A 27 3.806 -8.922 4.873 1.00 0.00 C ATOM 428 O PHE A 27 2.818 -8.755 5.559 1.00 0.00 O ATOM 429 CB PHE A 27 5.395 -7.829 6.462 1.00 0.00 C ATOM 430 CG PHE A 27 6.557 -8.133 7.371 1.00 0.00 C ATOM 431 CD1 PHE A 27 6.366 -8.920 8.511 1.00 0.00 C ATOM 432 CD2 PHE A 27 7.828 -7.631 7.071 1.00 0.00 C ATOM 433 CE1 PHE A 27 7.445 -9.208 9.351 1.00 0.00 C ATOM 434 CE2 PHE A 27 8.908 -7.918 7.910 1.00 0.00 C ATOM 435 CZ PHE A 27 8.718 -8.707 9.052 1.00 0.00 C ATOM 0 H PHE A 27 5.984 -8.205 3.675 1.00 0.00 H new ATOM 0 HA PHE A 27 5.282 -9.956 5.997 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.582 -6.909 5.909 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.490 -7.670 7.049 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.384 -9.305 8.742 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.974 -7.022 6.191 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.297 -9.817 10.231 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.889 -7.531 7.678 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.552 -8.929 9.701 1.00 0.00 H new ATOM 445 N LYS A 28 3.720 -9.048 3.575 1.00 0.00 N ATOM 446 CA LYS A 28 2.388 -8.989 2.899 1.00 0.00 C ATOM 447 C LYS A 28 1.872 -7.549 2.900 1.00 0.00 C ATOM 448 O LYS A 28 0.681 -7.303 2.895 1.00 0.00 O ATOM 449 CB LYS A 28 1.454 -9.893 3.718 1.00 0.00 C ATOM 450 CG LYS A 28 2.215 -11.126 4.223 1.00 0.00 C ATOM 451 CD LYS A 28 1.491 -12.395 3.769 1.00 0.00 C ATOM 452 CE LYS A 28 2.316 -13.088 2.682 1.00 0.00 C ATOM 453 NZ LYS A 28 2.421 -12.087 1.585 1.00 0.00 N ATOM 0 H LYS A 28 4.515 -9.189 2.952 1.00 0.00 H new ATOM 0 HA LYS A 28 2.445 -9.319 1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.047 -9.337 4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.609 -10.205 3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.235 -11.119 3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.284 -11.103 5.311 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.346 -13.067 4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.501 -12.146 3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.301 -13.372 3.054 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.830 -14.001 2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.509 -12.579 0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.569 -11.491 1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.259 -11.491 1.738 1.00 0.00 H new ATOM 467 N LEU A 29 2.765 -6.597 2.899 1.00 0.00 N ATOM 468 CA LEU A 29 2.330 -5.167 2.897 1.00 0.00 C ATOM 469 C LEU A 29 2.984 -4.434 1.728 1.00 0.00 C ATOM 470 O LEU A 29 3.854 -4.961 1.069 1.00 0.00 O ATOM 471 CB LEU A 29 2.802 -4.582 4.233 1.00 0.00 C ATOM 472 CG LEU A 29 2.623 -5.621 5.343 1.00 0.00 C ATOM 473 CD1 LEU A 29 3.163 -5.066 6.662 1.00 0.00 C ATOM 474 CD2 LEU A 29 1.135 -5.945 5.500 1.00 0.00 C ATOM 0 H LEU A 29 3.774 -6.745 2.899 1.00 0.00 H new ATOM 0 HA LEU A 29 1.250 -5.067 2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.849 -4.288 4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.233 -3.682 4.468 1.00 0.00 H new ATOM 0 HG LEU A 29 3.171 -6.526 5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.034 -5.809 7.449 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.222 -4.834 6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.618 -4.159 6.925 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.005 -6.685 6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.590 -5.037 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.749 -6.344 4.562 1.00 0.00 H new ATOM 486 N CYS A 30 2.569 -3.232 1.453 1.00 0.00 N ATOM 487 CA CYS A 30 3.166 -2.493 0.311 1.00 0.00 C ATOM 488 C CYS A 30 4.393 -1.689 0.756 1.00 0.00 C ATOM 489 O CYS A 30 4.351 -0.943 1.714 1.00 0.00 O ATOM 490 CB CYS A 30 2.037 -1.591 -0.202 1.00 0.00 C ATOM 491 SG CYS A 30 1.990 -0.014 0.682 1.00 0.00 S ATOM 0 H CYS A 30 1.845 -2.731 1.968 1.00 0.00 H new ATOM 0 HA CYS A 30 3.531 -3.158 -0.472 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.173 -1.407 -1.268 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.081 -2.102 -0.086 1.00 0.00 H new ATOM 496 N ASN A 31 5.485 -1.847 0.062 1.00 0.00 N ATOM 497 CA ASN A 31 6.727 -1.104 0.431 1.00 0.00 C ATOM 498 C ASN A 31 7.067 -0.070 -0.645 1.00 0.00 C ATOM 499 O ASN A 31 6.198 0.565 -1.206 1.00 0.00 O ATOM 500 CB ASN A 31 7.816 -2.174 0.507 1.00 0.00 C ATOM 501 CG ASN A 31 8.870 -1.757 1.533 1.00 0.00 C ATOM 502 OD1 ASN A 31 9.214 -0.596 1.630 1.00 0.00 O ATOM 503 ND2 ASN A 31 9.400 -2.663 2.309 1.00 0.00 N ATOM 0 H ASN A 31 5.573 -2.460 -0.748 1.00 0.00 H new ATOM 0 HA ASN A 31 6.620 -0.560 1.369 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.380 -3.133 0.787 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.278 -2.308 -0.471 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.104 -2.396 2.998 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.110 -3.638 2.227 1.00 0.00 H new ATOM 510 N PHE A 32 8.327 0.102 -0.941 1.00 0.00 N ATOM 511 CA PHE A 32 8.717 1.096 -1.982 1.00 0.00 C ATOM 512 C PHE A 32 8.504 0.505 -3.376 1.00 0.00 C ATOM 513 O PHE A 32 7.828 -0.490 -3.546 1.00 0.00 O ATOM 514 CB PHE A 32 10.203 1.367 -1.742 1.00 0.00 C ATOM 515 CG PHE A 32 10.379 2.744 -1.149 1.00 0.00 C ATOM 516 CD1 PHE A 32 9.785 3.852 -1.767 1.00 0.00 C ATOM 517 CD2 PHE A 32 11.138 2.916 0.014 1.00 0.00 C ATOM 518 CE1 PHE A 32 9.948 5.130 -1.220 1.00 0.00 C ATOM 519 CE2 PHE A 32 11.302 4.195 0.561 1.00 0.00 C ATOM 520 CZ PHE A 32 10.707 5.302 -0.056 1.00 0.00 C ATOM 0 H PHE A 32 9.101 -0.401 -0.508 1.00 0.00 H new ATOM 0 HA PHE A 32 8.123 2.008 -1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.616 0.615 -1.069 1.00 0.00 H new ATOM 0 HB3 PHE A 32 10.753 1.291 -2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.201 3.720 -2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.597 2.062 0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.488 5.984 -1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.888 4.327 1.459 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.833 6.288 0.366 1.00 0.00 H new ATOM 530 N SER A 33 9.082 1.111 -4.373 1.00 0.00 N ATOM 531 CA SER A 33 8.924 0.589 -5.762 1.00 0.00 C ATOM 532 C SER A 33 10.249 0.001 -6.252 1.00 0.00 C ATOM 533 O SER A 33 10.426 -1.200 -6.304 1.00 0.00 O ATOM 534 CB SER A 33 8.533 1.803 -6.605 1.00 0.00 C ATOM 535 OG SER A 33 8.765 2.990 -5.860 1.00 0.00 O ATOM 0 H SER A 33 9.659 1.948 -4.288 1.00 0.00 H new ATOM 0 HA SER A 33 8.178 -0.203 -5.824 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.113 1.821 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.483 1.739 -6.890 1.00 0.00 H new ATOM 0 HG SER A 33 8.516 3.769 -6.400 1.00 0.00 H new ATOM 541 N PHE A 34 11.179 0.841 -6.610 1.00 0.00 N ATOM 542 CA PHE A 34 12.496 0.336 -7.094 1.00 0.00 C ATOM 543 C PHE A 34 13.448 0.131 -5.912 1.00 0.00 C ATOM 544 O PHE A 34 13.315 -0.885 -5.232 1.00 0.00 O ATOM 545 CB PHE A 34 13.025 1.431 -8.021 1.00 0.00 C ATOM 546 CG PHE A 34 12.130 1.539 -9.232 1.00 0.00 C ATOM 547 CD1 PHE A 34 11.669 0.379 -9.867 1.00 0.00 C ATOM 548 CD2 PHE A 34 11.762 2.799 -9.719 1.00 0.00 C ATOM 549 CE1 PHE A 34 10.837 0.480 -10.988 1.00 0.00 C ATOM 550 CE2 PHE A 34 10.930 2.899 -10.841 1.00 0.00 C ATOM 551 CZ PHE A 34 10.468 1.740 -11.476 1.00 0.00 C ATOM 0 H PHE A 34 11.085 1.856 -6.589 1.00 0.00 H new ATOM 0 HA PHE A 34 12.408 -0.623 -7.604 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.058 2.384 -7.494 1.00 0.00 H new ATOM 0 HB3 PHE A 34 14.045 1.201 -8.328 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.955 -0.593 -9.492 1.00 0.00 H new ATOM 0 HD2 PHE A 34 12.119 3.693 -9.230 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.479 -0.414 -11.477 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.645 3.871 -11.217 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.827 1.817 -12.342 1.00 0.00 H new HETATM 561 N NH2 A 35 14.400 1.100 -5.672 1.00 0.00 N TER 564 NH2 A 35