USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 270 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 32 LYS NZ :NH3+ -176:sc= -2.25 (180deg=-0.54) USER MOD Set 1.2: A 36 ASN : amide:sc= -7.07 K(o=-9.3,f=-11!) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -0.585 K(o=-2.4,f=-7.5) USER MOD Set 2.2: A 31 ASN : amide:sc= -1.82 K(o=-2.4,f=-12!) USER MOD Set 3.1: A 8 LYS NZ :NH3+ -162:sc= -0.679 (180deg=-0.756) USER MOD Set 3.2: A 37 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00132) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.055 X(o=-0.055,f=-0.48) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.83 K(o=-1.8,f=-4.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc=-0.00113 X(o=-0.0011,f=-0.0016) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.115 -15.259 1.981 1.00 0.00 N ATOM 2 CA GLY A 1 -5.602 -14.239 1.011 1.00 0.00 C ATOM 3 C GLY A 1 -6.270 -13.063 1.689 1.00 0.00 C ATOM 4 O GLY A 1 -5.763 -12.544 2.686 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.666 -16.042 1.465 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.421 -14.825 2.623 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.917 -15.623 2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.763 -13.881 0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.307 -14.705 0.323 1.00 0.00 H new ATOM 10 N ASP A 2 -7.412 -12.643 1.160 1.00 0.00 N ATOM 11 CA ASP A 2 -8.149 -11.518 1.722 1.00 0.00 C ATOM 12 C ASP A 2 -9.630 -11.597 1.354 1.00 0.00 C ATOM 13 O ASP A 2 -10.074 -12.565 0.739 1.00 0.00 O ATOM 14 CB ASP A 2 -7.563 -10.193 1.229 1.00 0.00 C ATOM 15 CG ASP A 2 -7.644 -10.050 -0.252 1.00 0.00 C ATOM 16 OD1 ASP A 2 -8.747 -9.770 -0.756 1.00 0.00 O ATOM 17 OD2 ASP A 2 -6.603 -10.217 -0.914 1.00 0.00 O ATOM 0 H ASP A 2 -7.849 -13.065 0.341 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.057 -11.566 2.807 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.095 -9.366 1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.521 -10.121 1.541 1.00 0.00 H new ATOM 22 N ASN A 3 -10.385 -10.573 1.737 1.00 0.00 N ATOM 23 CA ASN A 3 -11.812 -10.527 1.447 1.00 0.00 C ATOM 24 C ASN A 3 -12.120 -9.461 0.401 1.00 0.00 C ATOM 25 O ASN A 3 -13.060 -9.600 -0.362 1.00 0.00 O ATOM 26 CB ASN A 3 -12.605 -10.246 2.725 1.00 0.00 C ATOM 27 CG ASN A 3 -12.145 -8.986 3.426 1.00 0.00 C ATOM 28 OD1 ASN A 3 -12.504 -7.876 3.036 1.00 0.00 O ATOM 29 ND2 ASN A 3 -11.343 -9.149 4.473 1.00 0.00 N ATOM 0 H ASN A 3 -10.032 -9.764 2.249 1.00 0.00 H new ATOM 0 HA ASN A 3 -12.108 -11.498 1.050 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.663 -10.156 2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -12.506 -11.093 3.404 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.002 -8.336 4.986 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -11.069 -10.087 4.764 1.00 0.00 H new ATOM 36 N LYS A 4 -11.329 -8.395 0.396 1.00 0.00 N ATOM 37 CA LYS A 4 -11.519 -7.303 -0.532 1.00 0.00 C ATOM 38 C LYS A 4 -10.455 -7.339 -1.613 1.00 0.00 C ATOM 39 O LYS A 4 -9.405 -6.703 -1.491 1.00 0.00 O ATOM 40 CB LYS A 4 -11.476 -5.956 0.178 1.00 0.00 C ATOM 41 CG LYS A 4 -11.896 -4.788 -0.678 1.00 0.00 C ATOM 42 CD LYS A 4 -13.379 -4.843 -1.006 1.00 0.00 C ATOM 43 CE LYS A 4 -14.191 -3.938 -0.094 1.00 0.00 C ATOM 44 NZ LYS A 4 -14.489 -2.624 -0.728 1.00 0.00 N ATOM 0 H LYS A 4 -10.543 -8.270 1.034 1.00 0.00 H new ATOM 0 HA LYS A 4 -12.503 -7.423 -0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.123 -6.000 1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.462 -5.781 0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.671 -3.856 -0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.318 -4.786 -1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.533 -4.547 -2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.735 -5.869 -0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.126 -4.433 0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.644 -3.776 0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -15.044 -2.039 -0.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.598 -2.138 -0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.033 -2.775 -1.601 1.00 0.00 H new ATOM 58 N PRO A 5 -10.708 -8.089 -2.700 1.00 0.00 N ATOM 59 CA PRO A 5 -9.763 -8.207 -3.816 1.00 0.00 C ATOM 60 C PRO A 5 -9.640 -6.907 -4.613 1.00 0.00 C ATOM 61 O PRO A 5 -10.575 -6.513 -5.310 1.00 0.00 O ATOM 62 CB PRO A 5 -10.376 -9.306 -4.685 1.00 0.00 C ATOM 63 CG PRO A 5 -11.833 -9.272 -4.373 1.00 0.00 C ATOM 64 CD PRO A 5 -11.932 -8.878 -2.927 1.00 0.00 C ATOM 0 HA PRO A 5 -8.753 -8.429 -3.472 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -10.194 -9.121 -5.744 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.945 -10.280 -4.453 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.353 -8.556 -5.010 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -12.293 -10.245 -4.546 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -12.830 -8.291 -2.732 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -11.973 -9.751 -2.275 1.00 0.00 H new ATOM 72 N PRO A 6 -8.488 -6.221 -4.518 1.00 0.00 N ATOM 73 CA PRO A 6 -8.258 -4.962 -5.235 1.00 0.00 C ATOM 74 C PRO A 6 -8.138 -5.170 -6.740 1.00 0.00 C ATOM 75 O PRO A 6 -8.016 -6.302 -7.216 1.00 0.00 O ATOM 76 CB PRO A 6 -6.934 -4.459 -4.656 1.00 0.00 C ATOM 77 CG PRO A 6 -6.236 -5.685 -4.175 1.00 0.00 C ATOM 78 CD PRO A 6 -7.318 -6.615 -3.705 1.00 0.00 C ATOM 0 HA PRO A 6 -9.085 -4.263 -5.109 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.344 -3.939 -5.411 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.101 -3.754 -3.842 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -5.649 -6.140 -4.973 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -5.545 -5.449 -3.366 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.049 -7.659 -3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.512 -6.499 -2.639 1.00 0.00 H new ATOM 86 N LYS A 7 -8.168 -4.072 -7.487 1.00 0.00 N ATOM 87 CA LYS A 7 -8.063 -4.133 -8.942 1.00 0.00 C ATOM 88 C LYS A 7 -6.745 -4.772 -9.365 1.00 0.00 C ATOM 89 O LYS A 7 -5.819 -4.897 -8.562 1.00 0.00 O ATOM 90 CB LYS A 7 -8.176 -2.728 -9.538 1.00 0.00 C ATOM 91 CG LYS A 7 -9.547 -2.099 -9.351 1.00 0.00 C ATOM 92 CD LYS A 7 -9.525 -0.615 -9.688 1.00 0.00 C ATOM 93 CE LYS A 7 -10.905 0.008 -9.539 1.00 0.00 C ATOM 94 NZ LYS A 7 -11.091 0.631 -8.201 1.00 0.00 N ATOM 0 H LYS A 7 -8.264 -3.129 -7.110 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.881 -4.748 -9.317 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.425 -2.086 -9.079 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.948 -2.774 -10.603 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.272 -2.608 -9.986 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.875 -2.235 -8.320 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.820 -0.102 -9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.170 -0.477 -10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.049 0.762 -10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.667 -0.756 -9.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.044 1.044 -8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.979 -0.093 -7.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.380 1.378 -8.064 1.00 0.00 H new ATOM 108 N LYS A 8 -6.671 -5.178 -10.626 1.00 0.00 N ATOM 109 CA LYS A 8 -5.465 -5.806 -11.160 1.00 0.00 C ATOM 110 C LYS A 8 -4.271 -4.869 -11.051 1.00 0.00 C ATOM 111 O LYS A 8 -4.411 -3.708 -10.669 1.00 0.00 O ATOM 112 CB LYS A 8 -5.673 -6.215 -12.615 1.00 0.00 C ATOM 113 CG LYS A 8 -7.042 -6.811 -12.899 1.00 0.00 C ATOM 114 CD LYS A 8 -7.045 -7.616 -14.190 1.00 0.00 C ATOM 115 CE LYS A 8 -8.456 -7.978 -14.622 1.00 0.00 C ATOM 116 NZ LYS A 8 -8.833 -9.356 -14.196 1.00 0.00 N ATOM 0 H LYS A 8 -7.431 -5.085 -11.300 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.262 -6.698 -10.567 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.529 -5.342 -13.251 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.908 -6.940 -12.891 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.340 -7.452 -12.069 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.781 -6.012 -12.966 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.559 -7.041 -14.978 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.461 -8.526 -14.053 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.160 -7.262 -14.198 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.535 -7.899 -15.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.651 -9.679 -14.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.032 -10.000 -14.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.080 -9.352 -13.186 1.00 0.00 H new ATOM 130 N GLY A 9 -3.093 -5.381 -11.383 1.00 0.00 N ATOM 131 CA GLY A 9 -1.882 -4.582 -11.315 1.00 0.00 C ATOM 132 C GLY A 9 -1.988 -3.299 -12.118 1.00 0.00 C ATOM 133 O GLY A 9 -1.985 -3.338 -13.348 1.00 0.00 O ATOM 0 H GLY A 9 -2.953 -6.340 -11.700 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.669 -4.339 -10.274 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.041 -5.170 -11.684 1.00 0.00 H new ATOM 137 N PRO A 10 -2.080 -2.134 -11.449 1.00 0.00 N ATOM 138 CA PRO A 10 -2.185 -0.853 -12.130 1.00 0.00 C ATOM 139 C PRO A 10 -0.869 -0.437 -12.756 1.00 0.00 C ATOM 140 O PRO A 10 0.067 -0.098 -12.050 1.00 0.00 O ATOM 141 CB PRO A 10 -2.587 0.081 -11.004 1.00 0.00 C ATOM 142 CG PRO A 10 -2.016 -0.518 -9.777 1.00 0.00 C ATOM 143 CD PRO A 10 -2.087 -1.988 -9.979 1.00 0.00 C ATOM 0 HA PRO A 10 -2.890 -0.863 -12.962 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.198 1.086 -11.169 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.671 0.167 -10.932 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.987 -0.193 -9.624 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.580 -0.216 -8.894 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.239 -2.498 -9.521 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.990 -2.411 -9.538 1.00 0.00 H new ATOM 151 N PRO A 11 -0.786 -0.433 -14.101 1.00 0.00 N ATOM 152 CA PRO A 11 0.414 -0.028 -14.813 1.00 0.00 C ATOM 153 C PRO A 11 0.692 1.464 -14.690 1.00 0.00 C ATOM 154 O PRO A 11 0.698 2.188 -15.683 1.00 0.00 O ATOM 155 CB PRO A 11 0.127 -0.403 -16.267 1.00 0.00 C ATOM 156 CG PRO A 11 -1.348 -0.369 -16.372 1.00 0.00 C ATOM 157 CD PRO A 11 -1.861 -0.797 -15.031 1.00 0.00 C ATOM 0 HA PRO A 11 1.301 -0.514 -14.407 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.591 0.301 -16.958 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.520 -1.391 -16.507 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.699 0.631 -16.624 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.700 -1.038 -17.157 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.793 -0.290 -14.781 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.064 -1.868 -15.006 1.00 0.00 H new ATOM 165 N ASN A 12 0.934 1.915 -13.464 1.00 0.00 N ATOM 166 CA ASN A 12 1.214 3.323 -13.210 1.00 0.00 C ATOM 167 C ASN A 12 1.724 3.527 -11.789 1.00 0.00 C ATOM 168 O ASN A 12 1.904 2.571 -11.039 1.00 0.00 O ATOM 169 CB ASN A 12 -0.018 4.159 -13.431 1.00 0.00 C ATOM 170 CG ASN A 12 -0.132 4.666 -14.858 1.00 0.00 C ATOM 171 OD1 ASN A 12 0.863 4.740 -15.584 1.00 0.00 O ATOM 172 ND2 ASN A 12 -1.344 5.020 -15.268 1.00 0.00 N ATOM 0 H ASN A 12 0.942 1.326 -12.631 1.00 0.00 H new ATOM 0 HA ASN A 12 1.987 3.639 -13.910 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.901 3.569 -13.187 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.004 5.008 -12.748 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.480 5.369 -16.217 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.140 4.943 -14.634 1.00 0.00 H new ATOM 179 N GLY A 13 1.962 4.784 -11.426 1.00 0.00 N ATOM 180 CA GLY A 13 2.446 5.094 -10.095 1.00 0.00 C ATOM 181 C GLY A 13 1.505 4.635 -9.004 1.00 0.00 C ATOM 182 O GLY A 13 0.425 5.161 -8.868 1.00 0.00 O ATOM 0 H GLY A 13 1.828 5.594 -12.032 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.419 4.625 -9.949 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.595 6.170 -10.010 1.00 0.00 H new ATOM 186 N CYS A 14 1.929 3.653 -8.223 1.00 0.00 N ATOM 187 CA CYS A 14 1.109 3.122 -7.140 1.00 0.00 C ATOM 188 C CYS A 14 1.956 2.850 -5.901 1.00 0.00 C ATOM 189 O CYS A 14 3.166 3.074 -5.902 1.00 0.00 O ATOM 190 CB CYS A 14 0.417 1.839 -7.584 1.00 0.00 C ATOM 191 SG CYS A 14 -1.287 2.075 -8.113 1.00 0.00 S ATOM 0 H CYS A 14 2.840 3.205 -8.318 1.00 0.00 H new ATOM 0 HA CYS A 14 0.355 3.868 -6.888 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.984 1.397 -8.404 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.436 1.124 -6.761 1.00 0.00 H new ATOM 196 N PHE A 15 1.313 2.362 -4.843 1.00 0.00 N ATOM 197 CA PHE A 15 2.007 2.055 -3.598 1.00 0.00 C ATOM 198 C PHE A 15 2.020 0.552 -3.341 1.00 0.00 C ATOM 199 O PHE A 15 1.509 -0.228 -4.136 1.00 0.00 O ATOM 200 CB PHE A 15 1.359 2.792 -2.420 1.00 0.00 C ATOM 201 CG PHE A 15 -0.043 3.171 -2.648 1.00 0.00 C ATOM 202 CD1 PHE A 15 -1.014 2.205 -2.853 1.00 0.00 C ATOM 203 CD2 PHE A 15 -0.421 4.505 -2.660 1.00 0.00 C ATOM 204 CE1 PHE A 15 -2.330 2.560 -3.065 1.00 0.00 C ATOM 205 CE2 PHE A 15 -1.738 4.865 -2.872 1.00 0.00 C ATOM 206 CZ PHE A 15 -2.694 3.891 -3.074 1.00 0.00 C ATOM 0 H PHE A 15 0.311 2.171 -4.824 1.00 0.00 H new ATOM 0 HA PHE A 15 3.038 2.396 -3.694 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.414 2.159 -1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.937 3.691 -2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.737 1.161 -2.847 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.323 5.272 -2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.076 1.796 -3.224 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.019 5.908 -2.880 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.724 4.169 -3.239 1.00 0.00 H new ATOM 216 N GLY A 16 2.620 0.158 -2.220 1.00 0.00 N ATOM 217 CA GLY A 16 2.700 -1.246 -1.874 1.00 0.00 C ATOM 218 C GLY A 16 1.351 -1.896 -1.813 1.00 0.00 C ATOM 219 O GLY A 16 0.336 -1.302 -2.175 1.00 0.00 O ATOM 0 H GLY A 16 3.052 0.790 -1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.317 -1.764 -2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.196 -1.352 -0.909 1.00 0.00 H new ATOM 223 N HIS A 17 1.342 -3.144 -1.357 1.00 0.00 N ATOM 224 CA HIS A 17 0.112 -3.920 -1.244 1.00 0.00 C ATOM 225 C HIS A 17 -0.903 -3.212 -0.360 1.00 0.00 C ATOM 226 O HIS A 17 -0.663 -2.114 0.121 1.00 0.00 O ATOM 227 CB HIS A 17 0.417 -5.305 -0.681 1.00 0.00 C ATOM 228 CG HIS A 17 0.870 -6.290 -1.716 1.00 0.00 C ATOM 229 ND1 HIS A 17 0.435 -6.258 -3.026 1.00 0.00 N ATOM 230 CD2 HIS A 17 1.720 -7.339 -1.634 1.00 0.00 C ATOM 231 CE1 HIS A 17 1.000 -7.244 -3.703 1.00 0.00 C ATOM 232 NE2 HIS A 17 1.786 -7.911 -2.879 1.00 0.00 N ATOM 0 H HIS A 17 2.180 -3.643 -1.057 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.317 -4.023 -2.241 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.188 -5.215 0.084 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.476 -5.692 -0.190 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -0.221 -5.579 -3.412 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.249 -7.666 -0.751 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.845 -7.465 -4.749 1.00 0.00 H new ATOM 241 N LYS A 18 -2.017 -3.868 -0.172 1.00 0.00 N ATOM 242 CA LYS A 18 -3.089 -3.319 0.614 1.00 0.00 C ATOM 243 C LYS A 18 -2.868 -3.623 2.098 1.00 0.00 C ATOM 244 O LYS A 18 -3.788 -4.040 2.797 1.00 0.00 O ATOM 245 CB LYS A 18 -4.439 -3.880 0.180 1.00 0.00 C ATOM 246 CG LYS A 18 -5.528 -2.829 0.058 1.00 0.00 C ATOM 247 CD LYS A 18 -6.451 -2.841 1.248 1.00 0.00 C ATOM 248 CE LYS A 18 -7.822 -2.284 0.903 1.00 0.00 C ATOM 249 NZ LYS A 18 -8.903 -2.957 1.673 1.00 0.00 N ATOM 0 H LYS A 18 -2.206 -4.793 -0.557 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.094 -2.240 0.457 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.322 -4.382 -0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.756 -4.636 0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.073 -1.843 -0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.104 -3.005 -0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.555 -3.861 1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.012 -2.254 2.055 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.842 -1.214 1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.006 -2.407 -0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.823 -2.549 1.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.901 -3.974 1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.742 -2.819 2.691 1.00 0.00 H new ATOM 263 N ILE A 19 -1.646 -3.394 2.570 1.00 0.00 N ATOM 264 CA ILE A 19 -1.329 -3.627 3.964 1.00 0.00 C ATOM 265 C ILE A 19 -1.383 -2.331 4.764 1.00 0.00 C ATOM 266 O ILE A 19 -2.225 -2.173 5.641 1.00 0.00 O ATOM 267 CB ILE A 19 0.062 -4.239 4.119 1.00 0.00 C ATOM 268 CG1 ILE A 19 0.354 -5.207 2.969 1.00 0.00 C ATOM 269 CG2 ILE A 19 0.183 -4.944 5.461 1.00 0.00 C ATOM 270 CD1 ILE A 19 1.680 -5.927 3.101 1.00 0.00 C ATOM 0 H ILE A 19 -0.868 -3.050 2.007 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.076 -4.322 4.347 1.00 0.00 H new ATOM 0 HB ILE A 19 0.800 -3.438 4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.446 -5.945 2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.342 -4.655 2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.180 -5.375 5.557 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.019 -4.227 6.265 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.563 -5.736 5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.818 -6.595 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.489 -5.197 3.124 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.689 -6.508 4.023 1.00 0.00 H new ATOM 282 N ASP A 20 -0.504 -1.402 4.443 1.00 0.00 N ATOM 283 CA ASP A 20 -0.455 -0.133 5.112 1.00 0.00 C ATOM 284 C ASP A 20 -0.616 -0.274 6.627 1.00 0.00 C ATOM 285 O ASP A 20 -1.710 -0.268 7.135 1.00 0.00 O ATOM 286 CB ASP A 20 -1.508 0.781 4.543 1.00 0.00 C ATOM 287 CG ASP A 20 -1.631 2.085 5.305 1.00 0.00 C ATOM 288 OD1 ASP A 20 -0.813 2.995 5.066 1.00 0.00 O ATOM 289 OD2 ASP A 20 -2.548 2.195 6.147 1.00 0.00 O ATOM 0 H ASP A 20 0.195 -1.514 3.708 1.00 0.00 H new ATOM 0 HA ASP A 20 0.530 0.301 4.940 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.271 0.996 3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.470 0.269 4.552 1.00 0.00 H new ATOM 294 N ARG A 21 0.492 -0.378 7.335 1.00 0.00 N ATOM 295 CA ARG A 21 0.467 -0.503 8.784 1.00 0.00 C ATOM 296 C ARG A 21 -0.195 0.699 9.426 1.00 0.00 C ATOM 297 O ARG A 21 0.315 1.813 9.339 1.00 0.00 O ATOM 298 CB ARG A 21 1.880 -0.687 9.330 1.00 0.00 C ATOM 299 CG ARG A 21 1.977 -1.627 10.497 1.00 0.00 C ATOM 300 CD ARG A 21 3.102 -2.632 10.310 1.00 0.00 C ATOM 301 NE ARG A 21 2.608 -3.930 9.856 1.00 0.00 N ATOM 302 CZ ARG A 21 3.386 -4.880 9.338 1.00 0.00 C ATOM 303 NH1 ARG A 21 4.692 -4.682 9.206 1.00 0.00 N ATOM 304 NH2 ARG A 21 2.857 -6.033 8.955 1.00 0.00 N ATOM 0 H ARG A 21 1.428 -0.379 6.929 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.122 -1.386 9.034 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.521 -1.055 8.529 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.270 0.286 9.629 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.144 -1.058 11.411 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.032 -2.156 10.619 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.818 -2.244 9.586 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.637 -2.757 11.252 1.00 0.00 H new ATOM 0 HE ARG A 21 1.609 -4.120 9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.106 -3.798 9.502 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.281 -5.414 8.809 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.855 -6.193 9.057 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.452 -6.760 8.558 1.00 0.00 H new ATOM 318 N ILE A 22 -1.318 0.472 10.072 1.00 0.00 N ATOM 319 CA ILE A 22 -2.040 1.551 10.724 1.00 0.00 C ATOM 320 C ILE A 22 -2.341 2.681 9.741 1.00 0.00 C ATOM 321 O ILE A 22 -1.882 2.657 8.596 1.00 0.00 O ATOM 322 CB ILE A 22 -1.274 2.130 11.931 1.00 0.00 C ATOM 323 CG1 ILE A 22 -0.384 1.070 12.559 1.00 0.00 C ATOM 324 CG2 ILE A 22 -2.234 2.676 12.966 1.00 0.00 C ATOM 325 CD1 ILE A 22 0.403 1.576 13.741 1.00 0.00 C ATOM 0 H ILE A 22 -1.753 -0.446 10.162 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.971 1.116 11.086 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.649 2.947 11.570 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.001 0.229 12.875 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.307 0.693 11.805 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.671 3.079 13.808 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.837 3.467 12.521 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.886 1.876 13.316 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.017 0.769 14.142 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.045 2.398 13.425 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.283 1.927 14.512 1.00 0.00 H new ATOM 337 N GLY A 23 -3.112 3.663 10.187 1.00 0.00 N ATOM 338 CA GLY A 23 -3.458 4.783 9.329 1.00 0.00 C ATOM 339 C GLY A 23 -2.608 6.007 9.608 1.00 0.00 C ATOM 340 O GLY A 23 -3.120 7.129 9.670 1.00 0.00 O ATOM 0 H GLY A 23 -3.505 3.706 11.127 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.337 4.490 8.286 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.509 5.034 9.470 1.00 0.00 H new ATOM 344 N SER A 24 -1.308 5.793 9.777 1.00 0.00 N ATOM 345 CA SER A 24 -0.384 6.887 10.058 1.00 0.00 C ATOM 346 C SER A 24 -0.452 7.958 8.963 1.00 0.00 C ATOM 347 O SER A 24 -1.084 8.997 9.144 1.00 0.00 O ATOM 348 CB SER A 24 1.012 6.363 10.173 1.00 0.00 C ATOM 349 OG SER A 24 1.329 6.051 11.520 1.00 0.00 O ATOM 0 H SER A 24 -0.870 4.873 9.725 1.00 0.00 H new ATOM 0 HA SER A 24 -0.676 7.344 11.003 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.122 5.472 9.554 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.715 7.104 9.793 1.00 0.00 H new ATOM 0 HG SER A 24 2.246 5.709 11.569 1.00 0.00 H new ATOM 355 N HIS A 25 0.203 7.694 7.839 1.00 0.00 N ATOM 356 CA HIS A 25 0.218 8.636 6.724 1.00 0.00 C ATOM 357 C HIS A 25 0.045 7.914 5.394 1.00 0.00 C ATOM 358 O HIS A 25 -0.943 8.113 4.691 1.00 0.00 O ATOM 359 CB HIS A 25 1.510 9.423 6.719 1.00 0.00 C ATOM 360 CG HIS A 25 1.397 10.785 6.105 1.00 0.00 C ATOM 361 ND1 HIS A 25 2.132 11.870 6.527 1.00 0.00 N ATOM 362 CD2 HIS A 25 0.628 11.234 5.096 1.00 0.00 C ATOM 363 CE1 HIS A 25 1.830 12.925 5.804 1.00 0.00 C ATOM 364 NE2 HIS A 25 0.910 12.566 4.930 1.00 0.00 N ATOM 0 H HIS A 25 0.731 6.837 7.674 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.619 9.323 6.853 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.863 9.527 7.745 1.00 0.00 H new ATOM 0 HB3 HIS A 25 2.267 8.855 6.178 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.080 10.653 4.523 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.259 13.911 5.907 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.477 13.181 4.241 1.00 0.00 H new ATOM 373 N SER A 26 0.998 7.081 5.054 1.00 0.00 N ATOM 374 CA SER A 26 0.957 6.328 3.802 1.00 0.00 C ATOM 375 C SER A 26 -0.361 5.640 3.601 1.00 0.00 C ATOM 376 O SER A 26 -1.210 5.644 4.488 1.00 0.00 O ATOM 377 CB SER A 26 2.074 5.282 3.783 1.00 0.00 C ATOM 378 OG SER A 26 3.287 5.840 3.304 1.00 0.00 O ATOM 0 H SER A 26 1.823 6.899 5.626 1.00 0.00 H new ATOM 0 HA SER A 26 1.095 7.044 2.991 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.224 4.887 4.788 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.781 4.444 3.151 1.00 0.00 H new ATOM 0 HG SER A 26 3.985 5.153 3.303 1.00 0.00 H new ATOM 384 N GLY A 27 -0.550 5.054 2.422 1.00 0.00 N ATOM 385 CA GLY A 27 -1.798 4.379 2.118 1.00 0.00 C ATOM 386 C GLY A 27 -1.638 3.352 1.015 1.00 0.00 C ATOM 387 O GLY A 27 -2.218 3.494 -0.047 1.00 0.00 O ATOM 0 H GLY A 27 0.140 5.035 1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.173 3.889 3.017 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.545 5.115 1.821 1.00 0.00 H new ATOM 391 N LEU A 28 -0.843 2.323 1.283 1.00 0.00 N ATOM 392 CA LEU A 28 -0.604 1.270 0.306 1.00 0.00 C ATOM 393 C LEU A 28 -1.905 0.576 -0.065 1.00 0.00 C ATOM 394 O LEU A 28 -2.938 0.766 0.557 1.00 0.00 O ATOM 395 CB LEU A 28 0.357 0.249 0.855 1.00 0.00 C ATOM 396 CG LEU A 28 1.506 0.831 1.687 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.540 -0.243 1.986 1.00 0.00 C ATOM 398 CD2 LEU A 28 2.152 2.004 0.969 1.00 0.00 C ATOM 0 H LEU A 28 -0.353 2.196 2.169 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.175 1.732 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.198 -0.457 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.779 -0.316 0.024 1.00 0.00 H new ATOM 0 HG LEU A 28 1.096 1.193 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.349 0.186 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.072 -1.053 2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.941 -0.632 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.964 2.401 1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.547 1.670 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.408 2.784 0.804 1.00 0.00 H new ATOM 410 N GLY A 29 -1.851 -0.225 -1.108 1.00 0.00 N ATOM 411 CA GLY A 29 -3.022 -0.907 -1.571 1.00 0.00 C ATOM 412 C GLY A 29 -3.327 -0.640 -3.030 1.00 0.00 C ATOM 413 O GLY A 29 -4.342 -0.030 -3.360 1.00 0.00 O ATOM 0 H GLY A 29 -1.005 -0.414 -1.645 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.893 -1.979 -1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.876 -0.602 -0.966 1.00 0.00 H new ATOM 417 N CYS A 30 -2.454 -1.113 -3.911 1.00 0.00 N ATOM 418 CA CYS A 30 -2.632 -0.927 -5.346 1.00 0.00 C ATOM 419 C CYS A 30 -2.487 -2.250 -6.085 1.00 0.00 C ATOM 420 O CYS A 30 -3.448 -2.757 -6.667 1.00 0.00 O ATOM 421 CB CYS A 30 -1.628 0.055 -5.874 1.00 0.00 C ATOM 422 SG CYS A 30 -2.373 1.613 -6.462 1.00 0.00 S ATOM 0 H CYS A 30 -1.613 -1.630 -3.656 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.637 -0.539 -5.513 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.905 0.280 -5.090 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.076 -0.406 -6.693 1.00 0.00 H new ATOM 427 N ASN A 31 -1.279 -2.804 -6.068 1.00 0.00 N ATOM 428 CA ASN A 31 -1.014 -4.063 -6.739 1.00 0.00 C ATOM 429 C ASN A 31 -1.790 -5.207 -6.099 1.00 0.00 C ATOM 430 O ASN A 31 -1.856 -5.317 -4.872 1.00 0.00 O ATOM 431 CB ASN A 31 0.460 -4.366 -6.689 1.00 0.00 C ATOM 432 CG ASN A 31 1.041 -4.189 -5.300 1.00 0.00 C ATOM 433 OD1 ASN A 31 0.338 -3.829 -4.358 1.00 0.00 O ATOM 434 ND2 ASN A 31 2.339 -4.440 -5.169 1.00 0.00 N ATOM 0 H ASN A 31 -0.471 -2.398 -5.596 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.339 -3.967 -7.775 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.629 -5.390 -7.022 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.986 -3.713 -7.386 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.789 -4.336 -4.260 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.885 -4.737 -5.978 1.00 0.00 H new ATOM 441 N LYS A 32 -2.387 -6.049 -6.936 1.00 0.00 N ATOM 442 CA LYS A 32 -3.168 -7.180 -6.459 1.00 0.00 C ATOM 443 C LYS A 32 -2.323 -8.105 -5.591 1.00 0.00 C ATOM 444 O LYS A 32 -1.124 -8.051 -5.634 1.00 0.00 O ATOM 445 CB LYS A 32 -3.741 -7.950 -7.651 1.00 0.00 C ATOM 446 CG LYS A 32 -2.683 -8.618 -8.508 1.00 0.00 C ATOM 447 CD LYS A 32 -3.051 -8.573 -9.986 1.00 0.00 C ATOM 448 CE LYS A 32 -3.965 -9.724 -10.365 1.00 0.00 C ATOM 449 NZ LYS A 32 -5.403 -9.381 -10.160 1.00 0.00 N ATOM 0 H LYS A 32 -2.343 -5.967 -7.952 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.986 -6.801 -5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.432 -8.709 -7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.320 -7.265 -8.271 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.724 -8.123 -8.356 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.560 -9.655 -8.194 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.543 -7.627 -10.211 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.144 -8.613 -10.590 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.800 -9.990 -11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.712 -10.601 -9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.991 -10.214 -10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.552 -9.086 -9.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.669 -8.604 -10.798 1.00 0.00 H new ATOM 463 N VAL A 33 -2.991 -8.943 -4.806 1.00 0.00 N ATOM 464 CA VAL A 33 -2.321 -9.873 -3.930 1.00 0.00 C ATOM 465 C VAL A 33 -2.692 -11.314 -4.272 1.00 0.00 C ATOM 466 O VAL A 33 -3.442 -11.571 -5.195 1.00 0.00 O ATOM 467 CB VAL A 33 -2.648 -9.606 -2.450 1.00 0.00 C ATOM 468 CG1 VAL A 33 -1.919 -8.374 -1.950 1.00 0.00 C ATOM 469 CG2 VAL A 33 -4.137 -9.444 -2.260 1.00 0.00 C ATOM 0 H VAL A 33 -4.009 -8.990 -4.765 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.252 -9.727 -4.082 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.311 -10.464 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.166 -8.206 -0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.844 -8.522 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.223 -7.508 -2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.351 -9.256 -1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.491 -8.604 -2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.645 -10.355 -2.577 1.00 0.00 H new ATOM 479 N ASP A 34 -2.142 -12.250 -3.519 1.00 0.00 N ATOM 480 CA ASP A 34 -2.404 -13.664 -3.733 1.00 0.00 C ATOM 481 C ASP A 34 -3.813 -14.028 -3.332 1.00 0.00 C ATOM 482 O ASP A 34 -4.030 -14.834 -2.428 1.00 0.00 O ATOM 483 CB ASP A 34 -1.409 -14.505 -2.937 1.00 0.00 C ATOM 484 CG ASP A 34 0.011 -13.997 -3.062 1.00 0.00 C ATOM 485 OD1 ASP A 34 0.372 -13.060 -2.318 1.00 0.00 O ATOM 486 OD2 ASP A 34 0.765 -14.534 -3.901 1.00 0.00 O ATOM 0 H ASP A 34 -1.505 -12.054 -2.747 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.288 -13.870 -4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.699 -14.507 -1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.453 -15.538 -3.282 1.00 0.00 H new ATOM 491 N ASP A 35 -4.772 -13.422 -4.009 1.00 0.00 N ATOM 492 CA ASP A 35 -6.180 -13.676 -3.724 1.00 0.00 C ATOM 493 C ASP A 35 -7.013 -13.623 -5.001 1.00 0.00 C ATOM 494 O ASP A 35 -7.835 -14.499 -5.255 1.00 0.00 O ATOM 495 CB ASP A 35 -6.706 -12.662 -2.710 1.00 0.00 C ATOM 496 CG ASP A 35 -8.106 -12.998 -2.231 1.00 0.00 C ATOM 497 OD1 ASP A 35 -8.803 -13.770 -2.924 1.00 0.00 O ATOM 498 OD2 ASP A 35 -8.504 -12.493 -1.163 1.00 0.00 O ATOM 0 H ASP A 35 -4.606 -12.751 -4.759 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.266 -14.677 -3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.031 -12.624 -1.855 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.707 -11.669 -3.160 1.00 0.00 H new ATOM 503 N ASN A 36 -6.792 -12.580 -5.797 1.00 0.00 N ATOM 504 CA ASN A 36 -7.524 -12.407 -7.051 1.00 0.00 C ATOM 505 C ASN A 36 -7.492 -13.680 -7.891 1.00 0.00 C ATOM 506 O ASN A 36 -6.616 -14.527 -7.719 1.00 0.00 O ATOM 507 CB ASN A 36 -6.935 -11.241 -7.846 1.00 0.00 C ATOM 508 CG ASN A 36 -5.486 -11.476 -8.228 1.00 0.00 C ATOM 509 OD1 ASN A 36 -4.571 -10.925 -7.616 1.00 0.00 O ATOM 510 ND2 ASN A 36 -5.271 -12.294 -9.250 1.00 0.00 N ATOM 0 H ASN A 36 -6.115 -11.844 -5.598 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.564 -12.189 -6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.525 -11.085 -8.749 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.009 -10.328 -7.255 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.318 -12.487 -9.557 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.059 -12.730 -9.729 1.00 0.00 H new ATOM 517 N LYS A 37 -8.455 -13.804 -8.803 1.00 0.00 N ATOM 518 CA LYS A 37 -8.542 -14.972 -9.672 1.00 0.00 C ATOM 519 C LYS A 37 -8.802 -16.239 -8.862 1.00 0.00 C ATOM 520 O LYS A 37 -9.930 -16.719 -8.791 1.00 0.00 O ATOM 521 CB LYS A 37 -7.254 -15.125 -10.488 1.00 0.00 C ATOM 522 CG LYS A 37 -7.328 -14.479 -11.861 1.00 0.00 C ATOM 523 CD LYS A 37 -7.500 -12.972 -11.762 1.00 0.00 C ATOM 524 CE LYS A 37 -8.250 -12.416 -12.962 1.00 0.00 C ATOM 525 NZ LYS A 37 -7.514 -12.652 -14.236 1.00 0.00 N ATOM 0 H LYS A 37 -9.185 -13.109 -8.958 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.379 -14.824 -10.354 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.426 -14.685 -9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.031 -16.185 -10.605 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.420 -14.706 -12.420 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.161 -14.905 -12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.041 -12.726 -10.848 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.521 -12.497 -11.691 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.235 -12.879 -13.021 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.408 -11.346 -12.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.050 -12.243 -15.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.577 -12.203 -14.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.400 -13.675 -14.387 1.00 0.00 H new ATOM 539 N GLY A 38 -7.747 -16.777 -8.256 1.00 0.00 N ATOM 540 CA GLY A 38 -7.885 -17.982 -7.460 1.00 0.00 C ATOM 541 C GLY A 38 -7.035 -17.953 -6.204 1.00 0.00 C ATOM 542 O GLY A 38 -6.665 -16.839 -5.765 1.00 0.00 O ATOM 543 OXT GLY A 38 -6.743 -19.035 -5.658 1.00 0.00 O ATOM 0 H GLY A 38 -6.800 -16.400 -8.302 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.931 -18.112 -7.183 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.605 -18.846 -8.064 1.00 0.00 H new TER 547 GLY A 38