USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=4 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+ -135:sc= 0.0871 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -2.27 F(o=-4.6!,f=-2.3) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -150:sc= -0.0598 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.53 K(o=-1.5,f=-3.8!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.401 7.557 0.668 1.00 0.00 N ATOM 2 CA GLY A 1 -7.652 7.329 -0.602 1.00 0.00 C ATOM 3 C GLY A 1 -6.951 5.972 -0.542 1.00 0.00 C ATOM 4 O GLY A 1 -7.305 5.117 0.245 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.350 7.924 0.451 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.487 6.659 1.186 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.889 8.247 1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.335 7.360 -1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.920 8.122 -0.753 1.00 0.00 H new ATOM 10 N CYS A 2 -5.963 5.764 -1.368 1.00 0.00 N ATOM 11 CA CYS A 2 -5.242 4.458 -1.357 1.00 0.00 C ATOM 12 C CYS A 2 -4.847 4.075 0.072 1.00 0.00 C ATOM 13 O CYS A 2 -5.142 4.775 1.020 1.00 0.00 O ATOM 14 CB CYS A 2 -3.993 4.672 -2.217 1.00 0.00 C ATOM 15 SG CYS A 2 -3.218 6.256 -1.801 1.00 0.00 S ATOM 0 H CYS A 2 -5.623 6.441 -2.051 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.865 3.650 -1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.286 3.858 -2.055 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.262 4.655 -3.273 1.00 0.00 H new ATOM 20 N LEU A 3 -4.182 2.964 0.230 1.00 0.00 N ATOM 21 CA LEU A 3 -3.768 2.523 1.593 1.00 0.00 C ATOM 22 C LEU A 3 -2.539 3.307 2.061 1.00 0.00 C ATOM 23 O LEU A 3 -2.204 4.341 1.518 1.00 0.00 O ATOM 24 CB LEU A 3 -3.432 1.040 1.440 1.00 0.00 C ATOM 25 CG LEU A 3 -4.725 0.240 1.272 1.00 0.00 C ATOM 26 CD1 LEU A 3 -5.098 0.178 -0.211 1.00 0.00 C ATOM 27 CD2 LEU A 3 -4.522 -1.180 1.805 1.00 0.00 C ATOM 0 H LEU A 3 -3.906 2.340 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.548 2.693 2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.784 0.890 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.885 0.688 2.314 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.526 0.726 1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.019 -0.392 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.244 1.189 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.296 -0.307 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.444 -1.749 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.720 -1.666 1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.257 -1.138 2.861 1.00 0.00 H new ATOM 39 N GLU A 4 -1.866 2.820 3.067 1.00 0.00 N ATOM 40 CA GLU A 4 -0.658 3.533 3.575 1.00 0.00 C ATOM 41 C GLU A 4 0.597 3.023 2.866 1.00 0.00 C ATOM 42 O GLU A 4 0.524 2.292 1.898 1.00 0.00 O ATOM 43 CB GLU A 4 -0.597 3.194 5.064 1.00 0.00 C ATOM 44 CG GLU A 4 -0.950 4.433 5.889 1.00 0.00 C ATOM 45 CD GLU A 4 0.035 4.573 7.052 1.00 0.00 C ATOM 46 OE1 GLU A 4 0.947 3.766 7.132 1.00 0.00 O ATOM 47 OE2 GLU A 4 -0.140 5.483 7.844 1.00 0.00 O ATOM 0 H GLU A 4 -2.100 1.958 3.560 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.711 4.607 3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.290 2.384 5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.401 2.843 5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.915 5.323 5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.968 4.351 6.269 1.00 0.00 H new ATOM 54 N PHE A 5 1.749 3.400 3.346 1.00 0.00 N ATOM 55 CA PHE A 5 3.013 2.937 2.709 1.00 0.00 C ATOM 56 C PHE A 5 3.372 1.537 3.228 1.00 0.00 C ATOM 57 O PHE A 5 4.435 1.021 2.952 1.00 0.00 O ATOM 58 CB PHE A 5 4.059 3.995 3.115 1.00 0.00 C ATOM 59 CG PHE A 5 5.346 3.343 3.578 1.00 0.00 C ATOM 60 CD1 PHE A 5 5.415 2.761 4.849 1.00 0.00 C ATOM 61 CD2 PHE A 5 6.465 3.325 2.737 1.00 0.00 C ATOM 62 CE1 PHE A 5 6.603 2.160 5.279 1.00 0.00 C ATOM 63 CE2 PHE A 5 7.653 2.723 3.167 1.00 0.00 C ATOM 64 CZ PHE A 5 7.723 2.141 4.438 1.00 0.00 C ATOM 0 H PHE A 5 1.870 4.010 4.154 1.00 0.00 H new ATOM 0 HA PHE A 5 2.946 2.847 1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.264 4.651 2.269 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.657 4.620 3.913 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.552 2.776 5.498 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.412 3.775 1.757 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.657 1.711 6.260 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.516 2.708 2.518 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.640 1.677 4.770 1.00 0.00 H new ATOM 74 N TRP A 6 2.498 0.924 3.983 1.00 0.00 N ATOM 75 CA TRP A 6 2.801 -0.437 4.515 1.00 0.00 C ATOM 76 C TRP A 6 1.515 -1.144 4.958 1.00 0.00 C ATOM 77 O TRP A 6 1.404 -1.603 6.077 1.00 0.00 O ATOM 78 CB TRP A 6 3.723 -0.187 5.710 1.00 0.00 C ATOM 79 CG TRP A 6 4.282 -1.485 6.202 1.00 0.00 C ATOM 80 CD1 TRP A 6 3.965 -2.070 7.380 1.00 0.00 C ATOM 81 CD2 TRP A 6 5.249 -2.362 5.556 1.00 0.00 C ATOM 82 NE1 TRP A 6 4.676 -3.251 7.498 1.00 0.00 N ATOM 83 CE2 TRP A 6 5.481 -3.475 6.399 1.00 0.00 C ATOM 84 CE3 TRP A 6 5.940 -2.300 4.334 1.00 0.00 C ATOM 85 CZ2 TRP A 6 6.366 -4.491 6.040 1.00 0.00 C ATOM 86 CZ3 TRP A 6 6.833 -3.322 3.969 1.00 0.00 C ATOM 87 CH2 TRP A 6 7.046 -4.415 4.822 1.00 0.00 C ATOM 0 H TRP A 6 1.591 1.305 4.253 1.00 0.00 H new ATOM 0 HA TRP A 6 3.262 -1.081 3.766 1.00 0.00 H new ATOM 0 HB2 TRP A 6 4.534 0.482 5.421 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.171 0.308 6.509 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.271 -1.679 8.109 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.613 -3.879 8.299 1.00 0.00 H new ATOM 0 HE3 TRP A 6 5.784 -1.462 3.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 6.525 -5.331 6.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 7.358 -3.266 3.027 1.00 0.00 H new ATOM 0 HH2 TRP A 6 7.735 -5.197 4.538 1.00 0.00 H new ATOM 98 N TRP A 7 0.549 -1.245 4.088 1.00 0.00 N ATOM 99 CA TRP A 7 -0.722 -1.934 4.459 1.00 0.00 C ATOM 100 C TRP A 7 -0.845 -3.238 3.668 1.00 0.00 C ATOM 101 O TRP A 7 -0.160 -3.432 2.684 1.00 0.00 O ATOM 102 CB TRP A 7 -1.834 -0.957 4.072 1.00 0.00 C ATOM 103 CG TRP A 7 -2.099 -0.030 5.215 1.00 0.00 C ATOM 104 CD1 TRP A 7 -1.330 0.075 6.322 1.00 0.00 C ATOM 105 CD2 TRP A 7 -3.192 0.920 5.384 1.00 0.00 C ATOM 106 NE1 TRP A 7 -1.881 1.028 7.161 1.00 0.00 N ATOM 107 CE2 TRP A 7 -3.029 1.576 6.627 1.00 0.00 C ATOM 108 CE3 TRP A 7 -4.296 1.272 4.588 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -3.930 2.549 7.064 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -5.206 2.250 5.025 1.00 0.00 C ATOM 111 CH2 TRP A 7 -5.023 2.886 6.260 1.00 0.00 C ATOM 0 H TRP A 7 0.583 -0.881 3.136 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.768 -2.192 5.517 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.543 -0.389 3.188 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.741 -1.504 3.815 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.432 -0.492 6.519 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.487 1.293 8.064 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.446 0.788 3.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.784 3.038 8.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.051 2.513 4.406 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.726 3.636 6.591 1.00 0.00 H new ATOM 122 N LYS A 8 -1.702 -4.134 4.092 1.00 0.00 N ATOM 123 CA LYS A 8 -1.849 -5.428 3.354 1.00 0.00 C ATOM 124 C LYS A 8 -1.767 -5.182 1.851 1.00 0.00 C ATOM 125 O LYS A 8 -2.110 -4.124 1.365 1.00 0.00 O ATOM 126 CB LYS A 8 -3.222 -6.010 3.719 1.00 0.00 C ATOM 127 CG LYS A 8 -4.193 -4.910 4.170 1.00 0.00 C ATOM 128 CD LYS A 8 -5.627 -5.442 4.112 1.00 0.00 C ATOM 129 CE LYS A 8 -5.972 -6.121 5.438 1.00 0.00 C ATOM 130 NZ LYS A 8 -6.402 -7.499 5.069 1.00 0.00 N ATOM 0 H LYS A 8 -2.302 -4.028 4.910 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.053 -6.121 3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.637 -6.534 2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.107 -6.746 4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.953 -4.591 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.092 -4.035 3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.322 -4.625 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.731 -6.151 3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.111 -6.142 6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.766 -5.587 5.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.655 -8.026 5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.228 -7.448 4.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.624 -7.986 4.581 1.00 0.00 H new ATOM 144 N CYS A 9 -1.295 -6.144 1.117 1.00 0.00 N ATOM 145 CA CYS A 9 -1.173 -5.948 -0.355 1.00 0.00 C ATOM 146 C CYS A 9 -1.069 -7.289 -1.089 1.00 0.00 C ATOM 147 O CYS A 9 -0.865 -8.325 -0.491 1.00 0.00 O ATOM 148 CB CYS A 9 0.123 -5.155 -0.524 1.00 0.00 C ATOM 149 SG CYS A 9 1.534 -6.231 -0.163 1.00 0.00 S ATOM 0 H CYS A 9 -0.989 -7.053 1.466 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.043 -5.439 -0.771 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.196 -4.768 -1.540 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.126 -4.295 0.145 1.00 0.00 H new ATOM 154 N ASN A 10 -1.198 -7.264 -2.387 1.00 0.00 N ATOM 155 CA ASN A 10 -1.100 -8.514 -3.181 1.00 0.00 C ATOM 156 C ASN A 10 -0.437 -8.218 -4.533 1.00 0.00 C ATOM 157 O ASN A 10 -0.922 -7.406 -5.295 1.00 0.00 O ATOM 158 CB ASN A 10 -2.545 -8.982 -3.385 1.00 0.00 C ATOM 159 CG ASN A 10 -3.497 -7.784 -3.467 1.00 0.00 C ATOM 160 OD1 ASN A 10 -3.281 -6.854 -4.356 1.00 0.00 O flip ATOM 161 ND2 ASN A 10 -4.446 -7.695 -2.714 1.00 0.00 N flip ATOM 0 H ASN A 10 -1.369 -6.420 -2.934 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.499 -9.274 -2.682 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.616 -9.572 -4.299 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.841 -9.632 -2.562 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.615 -8.422 -2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.074 -6.893 -2.777 1.00 0.00 H new ATOM 168 N PRO A 11 0.651 -8.896 -4.787 1.00 0.00 N ATOM 169 CA PRO A 11 1.393 -8.715 -6.064 1.00 0.00 C ATOM 170 C PRO A 11 0.541 -9.177 -7.248 1.00 0.00 C ATOM 171 O PRO A 11 0.914 -10.053 -8.002 1.00 0.00 O ATOM 172 CB PRO A 11 2.631 -9.592 -5.885 1.00 0.00 C ATOM 173 CG PRO A 11 2.226 -10.603 -4.862 1.00 0.00 C ATOM 174 CD PRO A 11 1.289 -9.889 -3.925 1.00 0.00 C ATOM 0 HA PRO A 11 1.648 -7.676 -6.274 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.919 -10.068 -6.822 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.487 -9.007 -5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.735 -11.457 -5.329 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.095 -10.988 -4.328 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.560 -10.571 -3.487 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.824 -9.421 -3.099 1.00 0.00 H new ATOM 182 N ASN A 12 -0.603 -8.578 -7.410 1.00 0.00 N ATOM 183 CA ASN A 12 -1.509 -8.945 -8.534 1.00 0.00 C ATOM 184 C ASN A 12 -2.483 -7.791 -8.774 1.00 0.00 C ATOM 185 O ASN A 12 -2.773 -7.421 -9.894 1.00 0.00 O ATOM 186 CB ASN A 12 -2.252 -10.194 -8.057 1.00 0.00 C ATOM 187 CG ASN A 12 -3.323 -10.577 -9.081 1.00 0.00 C ATOM 188 OD1 ASN A 12 -3.025 -11.178 -10.094 1.00 0.00 O ATOM 189 ND2 ASN A 12 -4.567 -10.253 -8.857 1.00 0.00 N ATOM 0 H ASN A 12 -0.955 -7.838 -6.803 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.980 -9.135 -9.468 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.551 -11.018 -7.924 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.712 -10.007 -7.087 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.289 -10.504 -9.532 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.817 -9.748 -8.007 1.00 0.00 H new ATOM 196 N ASP A 13 -2.967 -7.209 -7.712 1.00 0.00 N ATOM 197 CA ASP A 13 -3.904 -6.059 -7.835 1.00 0.00 C ATOM 198 C ASP A 13 -3.789 -5.200 -6.577 1.00 0.00 C ATOM 199 O ASP A 13 -4.771 -4.799 -5.984 1.00 0.00 O ATOM 200 CB ASP A 13 -5.299 -6.676 -7.952 1.00 0.00 C ATOM 201 CG ASP A 13 -6.200 -5.747 -8.767 1.00 0.00 C ATOM 202 OD1 ASP A 13 -5.741 -5.249 -9.782 1.00 0.00 O ATOM 203 OD2 ASP A 13 -7.334 -5.550 -8.363 1.00 0.00 O ATOM 0 H ASP A 13 -2.750 -7.485 -6.754 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.690 -5.424 -8.694 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.237 -7.653 -8.431 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.723 -6.834 -6.960 1.00 0.00 H new ATOM 208 N ASP A 14 -2.582 -4.930 -6.165 1.00 0.00 N ATOM 209 CA ASP A 14 -2.363 -4.110 -4.941 1.00 0.00 C ATOM 210 C ASP A 14 -3.097 -2.775 -5.051 1.00 0.00 C ATOM 211 O ASP A 14 -3.352 -2.281 -6.132 1.00 0.00 O ATOM 212 CB ASP A 14 -0.852 -3.881 -4.884 1.00 0.00 C ATOM 213 CG ASP A 14 -0.366 -3.355 -6.234 1.00 0.00 C ATOM 214 OD1 ASP A 14 -1.202 -2.977 -7.036 1.00 0.00 O ATOM 215 OD2 ASP A 14 0.837 -3.339 -6.444 1.00 0.00 O ATOM 0 H ASP A 14 -1.730 -5.245 -6.628 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.740 -4.605 -4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.611 -3.168 -4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.341 -4.812 -4.639 1.00 0.00 H new ATOM 220 N LYS A 15 -3.433 -2.186 -3.938 1.00 0.00 N ATOM 221 CA LYS A 15 -4.144 -0.880 -3.976 1.00 0.00 C ATOM 222 C LYS A 15 -3.300 0.199 -3.292 1.00 0.00 C ATOM 223 O LYS A 15 -3.615 1.370 -3.349 1.00 0.00 O ATOM 224 CB LYS A 15 -5.447 -1.109 -3.210 1.00 0.00 C ATOM 225 CG LYS A 15 -6.422 0.033 -3.506 1.00 0.00 C ATOM 226 CD LYS A 15 -7.723 -0.542 -4.073 1.00 0.00 C ATOM 227 CE LYS A 15 -8.884 -0.198 -3.136 1.00 0.00 C ATOM 228 NZ LYS A 15 -9.865 -1.304 -3.320 1.00 0.00 N ATOM 0 H LYS A 15 -3.246 -2.553 -3.005 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.329 -0.542 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.889 -2.062 -3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.247 -1.162 -2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.627 0.596 -2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.979 0.729 -4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.911 -0.135 -5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.638 -1.623 -4.182 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.550 -0.134 -2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.324 0.767 -3.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.691 -1.140 -2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.170 -1.336 -4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.420 -2.209 -3.065 1.00 0.00 H new ATOM 242 N CYS A 16 -2.225 -0.183 -2.651 1.00 0.00 N ATOM 243 CA CYS A 16 -1.372 0.838 -1.977 1.00 0.00 C ATOM 244 C CYS A 16 -1.169 2.024 -2.919 1.00 0.00 C ATOM 245 O CYS A 16 -1.084 1.859 -4.119 1.00 0.00 O ATOM 246 CB CYS A 16 -0.035 0.145 -1.690 1.00 0.00 C ATOM 247 SG CYS A 16 0.944 1.185 -0.570 1.00 0.00 S ATOM 0 H CYS A 16 -1.904 -1.148 -2.566 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.823 1.214 -1.059 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.207 -0.833 -1.241 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.509 -0.022 -2.620 1.00 0.00 H new ATOM 252 N CYS A 17 -1.096 3.215 -2.389 1.00 0.00 N ATOM 253 CA CYS A 17 -0.901 4.409 -3.261 1.00 0.00 C ATOM 254 C CYS A 17 0.097 4.080 -4.376 1.00 0.00 C ATOM 255 O CYS A 17 0.925 3.201 -4.232 1.00 0.00 O ATOM 256 CB CYS A 17 -0.341 5.489 -2.333 1.00 0.00 C ATOM 257 SG CYS A 17 -1.467 5.741 -0.938 1.00 0.00 S ATOM 0 H CYS A 17 -1.163 3.413 -1.391 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.824 4.731 -3.743 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.643 5.194 -1.969 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.212 6.422 -2.882 1.00 0.00 H new ATOM 262 N ARG A 18 0.032 4.764 -5.487 1.00 0.00 N ATOM 263 CA ARG A 18 0.987 4.460 -6.592 1.00 0.00 C ATOM 264 C ARG A 18 2.014 5.589 -6.819 1.00 0.00 C ATOM 265 O ARG A 18 2.518 5.727 -7.917 1.00 0.00 O ATOM 266 CB ARG A 18 0.106 4.294 -7.831 1.00 0.00 C ATOM 267 CG ARG A 18 -0.865 5.473 -7.929 1.00 0.00 C ATOM 268 CD ARG A 18 -2.203 5.087 -7.295 1.00 0.00 C ATOM 269 NE ARG A 18 -2.945 4.365 -8.367 1.00 0.00 N ATOM 270 CZ ARG A 18 -3.144 3.079 -8.270 1.00 0.00 C ATOM 271 NH1 ARG A 18 -3.773 2.591 -7.235 1.00 0.00 N ATOM 272 NH2 ARG A 18 -2.713 2.278 -9.206 1.00 0.00 N ATOM 0 H ARG A 18 -0.634 5.513 -5.676 1.00 0.00 H new ATOM 0 HA ARG A 18 1.577 3.574 -6.360 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.725 4.244 -8.727 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.448 3.357 -7.774 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.448 6.344 -7.423 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.012 5.751 -8.973 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.057 4.453 -6.421 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.750 5.969 -6.961 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.297 4.876 -9.176 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.109 3.215 -6.502 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.928 1.586 -7.160 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.220 2.657 -10.014 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.869 1.273 -9.129 1.00 0.00 H new ATOM 286 N PRO A 19 2.321 6.356 -5.794 1.00 0.00 N ATOM 287 CA PRO A 19 3.316 7.439 -5.957 1.00 0.00 C ATOM 288 C PRO A 19 4.721 6.837 -5.966 1.00 0.00 C ATOM 289 O PRO A 19 5.649 7.398 -6.515 1.00 0.00 O ATOM 290 CB PRO A 19 3.116 8.310 -4.723 1.00 0.00 C ATOM 291 CG PRO A 19 2.532 7.397 -3.694 1.00 0.00 C ATOM 292 CD PRO A 19 1.792 6.307 -4.424 1.00 0.00 C ATOM 0 HA PRO A 19 3.199 8.001 -6.884 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.060 8.735 -4.383 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.448 9.145 -4.934 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.317 6.974 -3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.857 7.944 -3.035 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.966 5.333 -3.966 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.716 6.479 -4.408 1.00 0.00 H new ATOM 300 N LYS A 20 4.882 5.694 -5.355 1.00 0.00 N ATOM 301 CA LYS A 20 6.224 5.046 -5.318 1.00 0.00 C ATOM 302 C LYS A 20 6.211 3.845 -4.364 1.00 0.00 C ATOM 303 O LYS A 20 7.168 3.595 -3.658 1.00 0.00 O ATOM 304 CB LYS A 20 7.182 6.128 -4.808 1.00 0.00 C ATOM 305 CG LYS A 20 6.509 6.943 -3.698 1.00 0.00 C ATOM 306 CD LYS A 20 7.579 7.581 -2.810 1.00 0.00 C ATOM 307 CE LYS A 20 6.915 8.542 -1.822 1.00 0.00 C ATOM 308 NZ LYS A 20 6.497 7.686 -0.676 1.00 0.00 N ATOM 0 H LYS A 20 4.140 5.180 -4.879 1.00 0.00 H new ATOM 0 HA LYS A 20 6.522 4.670 -6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.095 5.668 -4.430 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.472 6.785 -5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.875 7.716 -4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.863 6.299 -3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.127 6.809 -2.270 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.304 8.116 -3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.608 9.320 -1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.059 9.043 -2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.033 8.274 0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.833 6.959 -1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.334 7.227 -0.262 1.00 0.00 H new ATOM 322 N LEU A 21 5.139 3.097 -4.339 1.00 0.00 N ATOM 323 CA LEU A 21 5.081 1.912 -3.431 1.00 0.00 C ATOM 324 C LEU A 21 4.620 0.674 -4.198 1.00 0.00 C ATOM 325 O LEU A 21 4.096 0.761 -5.290 1.00 0.00 O ATOM 326 CB LEU A 21 4.060 2.269 -2.353 1.00 0.00 C ATOM 327 CG LEU A 21 4.470 3.576 -1.671 1.00 0.00 C ATOM 328 CD1 LEU A 21 3.296 4.555 -1.692 1.00 0.00 C ATOM 329 CD2 LEU A 21 4.868 3.287 -0.222 1.00 0.00 C ATOM 0 H LEU A 21 4.305 3.254 -4.905 1.00 0.00 H new ATOM 0 HA LEU A 21 6.059 1.685 -3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.070 2.373 -2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.997 1.467 -1.617 1.00 0.00 H new ATOM 0 HG LEU A 21 5.315 4.015 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.589 5.485 -1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.011 4.759 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.450 4.120 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.161 4.216 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.022 2.849 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.705 2.589 -0.207 1.00 0.00 H new ATOM 341 N LYS A 22 4.806 -0.479 -3.623 1.00 0.00 N ATOM 342 CA LYS A 22 4.378 -1.731 -4.292 1.00 0.00 C ATOM 343 C LYS A 22 4.290 -2.870 -3.273 1.00 0.00 C ATOM 344 O LYS A 22 5.123 -2.993 -2.398 1.00 0.00 O ATOM 345 CB LYS A 22 5.455 -2.019 -5.338 1.00 0.00 C ATOM 346 CG LYS A 22 5.131 -3.330 -6.055 1.00 0.00 C ATOM 347 CD LYS A 22 4.462 -3.027 -7.397 1.00 0.00 C ATOM 348 CE LYS A 22 3.629 -4.232 -7.835 1.00 0.00 C ATOM 349 NZ LYS A 22 3.927 -4.398 -9.284 1.00 0.00 N ATOM 0 H LYS A 22 5.241 -0.606 -2.709 1.00 0.00 H new ATOM 0 HA LYS A 22 3.392 -1.638 -4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.506 -1.202 -6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.433 -2.085 -4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.043 -3.905 -6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.472 -3.941 -5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.827 -2.146 -7.308 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.218 -2.801 -8.149 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.899 -5.125 -7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.566 -4.059 -7.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.391 -5.207 -9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.653 -3.535 -9.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.945 -4.568 -9.412 1.00 0.00 H new ATOM 363 N CYS A 23 3.286 -3.702 -3.373 1.00 0.00 N ATOM 364 CA CYS A 23 3.151 -4.827 -2.400 1.00 0.00 C ATOM 365 C CYS A 23 4.513 -5.456 -2.101 1.00 0.00 C ATOM 366 O CYS A 23 5.368 -5.554 -2.958 1.00 0.00 O ATOM 367 CB CYS A 23 2.240 -5.858 -3.077 1.00 0.00 C ATOM 368 SG CYS A 23 1.879 -7.190 -1.907 1.00 0.00 S ATOM 0 H CYS A 23 2.556 -3.652 -4.084 1.00 0.00 H new ATOM 0 HA CYS A 23 2.742 -4.478 -1.452 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.315 -5.384 -3.404 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.724 -6.260 -3.967 1.00 0.00 H new ATOM 373 N SER A 24 4.713 -5.893 -0.887 1.00 0.00 N ATOM 374 CA SER A 24 6.010 -6.529 -0.518 1.00 0.00 C ATOM 375 C SER A 24 5.747 -7.876 0.158 1.00 0.00 C ATOM 376 O SER A 24 5.188 -7.941 1.238 1.00 0.00 O ATOM 377 CB SER A 24 6.667 -5.560 0.462 1.00 0.00 C ATOM 378 OG SER A 24 7.768 -4.923 -0.172 1.00 0.00 O ATOM 0 H SER A 24 4.030 -5.836 -0.131 1.00 0.00 H new ATOM 0 HA SER A 24 6.644 -6.716 -1.385 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.944 -4.815 0.794 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.004 -6.096 1.350 1.00 0.00 H new ATOM 0 HG SER A 24 8.447 -4.700 0.498 1.00 0.00 H new ATOM 384 N LYS A 25 6.142 -8.951 -0.469 1.00 0.00 N ATOM 385 CA LYS A 25 5.915 -10.293 0.135 1.00 0.00 C ATOM 386 C LYS A 25 6.705 -10.424 1.438 1.00 0.00 C ATOM 387 O LYS A 25 6.474 -11.319 2.227 1.00 0.00 O ATOM 388 CB LYS A 25 6.423 -11.292 -0.905 1.00 0.00 C ATOM 389 CG LYS A 25 5.618 -12.589 -0.802 1.00 0.00 C ATOM 390 CD LYS A 25 5.539 -13.255 -2.178 1.00 0.00 C ATOM 391 CE LYS A 25 6.853 -13.980 -2.472 1.00 0.00 C ATOM 392 NZ LYS A 25 6.775 -14.347 -3.915 1.00 0.00 N ATOM 0 H LYS A 25 6.612 -8.957 -1.374 1.00 0.00 H new ATOM 0 HA LYS A 25 4.867 -10.463 0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.328 -10.871 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.482 -11.495 -0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.087 -13.264 -0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.615 -12.378 -0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.709 -13.961 -2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.346 -12.506 -2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.711 -13.338 -2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.965 -14.865 -1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.642 -14.849 -4.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.952 -14.964 -4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.676 -13.485 -4.488 1.00 0.00 H new ATOM 406 N LEU A 26 7.636 -9.539 1.671 1.00 0.00 N ATOM 407 CA LEU A 26 8.436 -9.618 2.927 1.00 0.00 C ATOM 408 C LEU A 26 7.499 -9.666 4.136 1.00 0.00 C ATOM 409 O LEU A 26 7.726 -10.396 5.082 1.00 0.00 O ATOM 410 CB LEU A 26 9.274 -8.340 2.944 1.00 0.00 C ATOM 411 CG LEU A 26 10.563 -8.569 2.152 1.00 0.00 C ATOM 412 CD1 LEU A 26 10.826 -7.370 1.241 1.00 0.00 C ATOM 413 CD2 LEU A 26 11.733 -8.734 3.125 1.00 0.00 C ATOM 0 H LEU A 26 7.877 -8.767 1.049 1.00 0.00 H new ATOM 0 HA LEU A 26 9.061 -10.510 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.709 -7.515 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.510 -8.060 3.971 1.00 0.00 H new ATOM 0 HG LEU A 26 10.461 -9.469 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.745 -7.535 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.993 -7.249 0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.928 -6.469 1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.653 -8.897 2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.833 -7.833 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.548 -9.589 3.775 1.00 0.00 H new ATOM 425 N PHE A 27 6.443 -8.900 4.109 1.00 0.00 N ATOM 426 CA PHE A 27 5.486 -8.907 5.251 1.00 0.00 C ATOM 427 C PHE A 27 4.049 -8.909 4.734 1.00 0.00 C ATOM 428 O PHE A 27 3.110 -8.746 5.488 1.00 0.00 O ATOM 429 CB PHE A 27 5.753 -7.620 6.017 1.00 0.00 C ATOM 430 CG PHE A 27 6.959 -7.806 6.903 1.00 0.00 C ATOM 431 CD1 PHE A 27 8.238 -7.548 6.403 1.00 0.00 C ATOM 432 CD2 PHE A 27 6.795 -8.239 8.223 1.00 0.00 C ATOM 433 CE1 PHE A 27 9.357 -7.723 7.224 1.00 0.00 C ATOM 434 CE2 PHE A 27 7.913 -8.414 9.046 1.00 0.00 C ATOM 435 CZ PHE A 27 9.195 -8.156 8.545 1.00 0.00 C ATOM 0 H PHE A 27 6.202 -8.269 3.345 1.00 0.00 H new ATOM 0 HA PHE A 27 5.614 -9.790 5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.922 -6.798 5.321 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.884 -7.355 6.618 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.363 -7.214 5.384 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.805 -8.438 8.607 1.00 0.00 H new ATOM 0 HE1 PHE A 27 10.346 -7.524 6.838 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.787 -8.747 10.066 1.00 0.00 H new ATOM 0 HZ PHE A 27 10.059 -8.291 9.178 1.00 0.00 H new ATOM 445 N LYS A 28 3.867 -9.082 3.453 1.00 0.00 N ATOM 446 CA LYS A 28 2.483 -9.084 2.890 1.00 0.00 C ATOM 447 C LYS A 28 1.923 -7.661 2.931 1.00 0.00 C ATOM 448 O LYS A 28 0.728 -7.450 3.017 1.00 0.00 O ATOM 449 CB LYS A 28 1.652 -10.013 3.791 1.00 0.00 C ATOM 450 CG LYS A 28 2.521 -11.162 4.322 1.00 0.00 C ATOM 451 CD LYS A 28 1.765 -12.485 4.190 1.00 0.00 C ATOM 452 CE LYS A 28 2.498 -13.395 3.201 1.00 0.00 C ATOM 453 NZ LYS A 28 3.139 -14.443 4.044 1.00 0.00 N ATOM 0 H LYS A 28 4.613 -9.222 2.772 1.00 0.00 H new ATOM 0 HA LYS A 28 2.462 -9.426 1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.238 -9.446 4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.809 -10.416 3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.457 -11.210 3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.780 -10.983 5.366 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.690 -12.972 5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.747 -12.302 3.846 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.807 -13.835 2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.241 -12.839 2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.661 -15.106 3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.797 -13.995 4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.407 -14.960 4.571 1.00 0.00 H new ATOM 467 N LEU A 29 2.786 -6.683 2.874 1.00 0.00 N ATOM 468 CA LEU A 29 2.319 -5.265 2.916 1.00 0.00 C ATOM 469 C LEU A 29 2.956 -4.474 1.774 1.00 0.00 C ATOM 470 O LEU A 29 3.907 -4.913 1.164 1.00 0.00 O ATOM 471 CB LEU A 29 2.788 -4.726 4.270 1.00 0.00 C ATOM 472 CG LEU A 29 2.561 -5.783 5.353 1.00 0.00 C ATOM 473 CD1 LEU A 29 3.085 -5.265 6.693 1.00 0.00 C ATOM 474 CD2 LEU A 29 1.064 -6.076 5.470 1.00 0.00 C ATOM 0 H LEU A 29 3.796 -6.804 2.800 1.00 0.00 H new ATOM 0 HA LEU A 29 1.238 -5.182 2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.845 -4.463 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.244 -3.815 4.518 1.00 0.00 H new ATOM 0 HG LEU A 29 3.092 -6.696 5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.923 -6.019 7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.151 -5.055 6.610 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.555 -4.351 6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.900 -6.829 6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.534 -5.162 5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.690 -6.447 4.516 1.00 0.00 H new ATOM 486 N CYS A 30 2.441 -3.315 1.472 1.00 0.00 N ATOM 487 CA CYS A 30 3.025 -2.515 0.361 1.00 0.00 C ATOM 488 C CYS A 30 4.193 -1.664 0.862 1.00 0.00 C ATOM 489 O CYS A 30 4.094 -0.983 1.859 1.00 0.00 O ATOM 490 CB CYS A 30 1.868 -1.653 -0.157 1.00 0.00 C ATOM 491 SG CYS A 30 1.722 -0.108 0.776 1.00 0.00 S ATOM 0 H CYS A 30 1.644 -2.889 1.945 1.00 0.00 H new ATOM 0 HA CYS A 30 3.438 -3.140 -0.431 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.024 -1.429 -1.212 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.935 -2.212 -0.085 1.00 0.00 H new ATOM 496 N ASN A 31 5.300 -1.703 0.176 1.00 0.00 N ATOM 497 CA ASN A 31 6.475 -0.898 0.617 1.00 0.00 C ATOM 498 C ASN A 31 6.862 0.119 -0.462 1.00 0.00 C ATOM 499 O ASN A 31 6.040 0.553 -1.244 1.00 0.00 O ATOM 500 CB ASN A 31 7.597 -1.914 0.825 1.00 0.00 C ATOM 501 CG ASN A 31 8.550 -1.406 1.908 1.00 0.00 C ATOM 502 OD1 ASN A 31 8.150 -0.677 2.794 1.00 0.00 O ATOM 503 ND2 ASN A 31 9.805 -1.763 1.876 1.00 0.00 N ATOM 0 H ASN A 31 5.443 -2.256 -0.669 1.00 0.00 H new ATOM 0 HA ASN A 31 6.266 -0.330 1.524 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.180 -2.878 1.116 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.139 -2.069 -0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.448 -1.430 2.594 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.142 -2.375 1.133 1.00 0.00 H new ATOM 510 N PHE A 32 8.110 0.500 -0.507 1.00 0.00 N ATOM 511 CA PHE A 32 8.555 1.488 -1.535 1.00 0.00 C ATOM 512 C PHE A 32 9.023 0.757 -2.793 1.00 0.00 C ATOM 513 O PHE A 32 9.098 -0.455 -2.834 1.00 0.00 O ATOM 514 CB PHE A 32 9.719 2.242 -0.883 1.00 0.00 C ATOM 515 CG PHE A 32 10.573 2.919 -1.931 1.00 0.00 C ATOM 516 CD1 PHE A 32 11.635 2.223 -2.522 1.00 0.00 C ATOM 517 CD2 PHE A 32 10.309 4.242 -2.309 1.00 0.00 C ATOM 518 CE1 PHE A 32 12.431 2.847 -3.488 1.00 0.00 C ATOM 519 CE2 PHE A 32 11.107 4.867 -3.275 1.00 0.00 C ATOM 520 CZ PHE A 32 12.168 4.169 -3.865 1.00 0.00 C ATOM 0 H PHE A 32 8.842 0.171 0.123 1.00 0.00 H new ATOM 0 HA PHE A 32 7.755 2.163 -1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.332 2.986 -0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 32 10.328 1.549 -0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.840 1.203 -2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 32 9.490 4.780 -1.855 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.249 2.308 -3.943 1.00 0.00 H new ATOM 0 HE2 PHE A 32 10.904 5.887 -3.565 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.783 4.651 -4.611 1.00 0.00 H new ATOM 530 N SER A 33 9.341 1.493 -3.814 1.00 0.00 N ATOM 531 CA SER A 33 9.810 0.861 -5.081 1.00 0.00 C ATOM 532 C SER A 33 10.009 1.925 -6.164 1.00 0.00 C ATOM 533 O SER A 33 9.082 2.605 -6.556 1.00 0.00 O ATOM 534 CB SER A 33 8.697 -0.105 -5.485 1.00 0.00 C ATOM 535 OG SER A 33 9.273 -1.336 -5.905 1.00 0.00 O ATOM 0 H SER A 33 9.298 2.512 -3.830 1.00 0.00 H new ATOM 0 HA SER A 33 10.765 0.352 -4.953 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.023 -0.273 -4.645 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.101 0.325 -6.290 1.00 0.00 H new ATOM 0 HG SER A 33 8.562 -1.959 -6.163 1.00 0.00 H new ATOM 541 N PHE A 34 11.209 2.072 -6.651 1.00 0.00 N ATOM 542 CA PHE A 34 11.464 3.090 -7.711 1.00 0.00 C ATOM 543 C PHE A 34 12.763 2.764 -8.452 1.00 0.00 C ATOM 544 O PHE A 34 13.791 2.643 -7.789 1.00 0.00 O ATOM 545 CB PHE A 34 11.592 4.417 -6.965 1.00 0.00 C ATOM 546 CG PHE A 34 11.536 5.556 -7.955 1.00 0.00 C ATOM 547 CD1 PHE A 34 10.314 5.922 -8.533 1.00 0.00 C ATOM 548 CD2 PHE A 34 12.706 6.243 -8.298 1.00 0.00 C ATOM 549 CE1 PHE A 34 10.263 6.976 -9.454 1.00 0.00 C ATOM 550 CE2 PHE A 34 12.655 7.298 -9.218 1.00 0.00 C ATOM 551 CZ PHE A 34 11.434 7.664 -9.796 1.00 0.00 C ATOM 0 H PHE A 34 12.025 1.532 -6.362 1.00 0.00 H new ATOM 0 HA PHE A 34 10.670 3.118 -8.457 1.00 0.00 H new ATOM 0 HB2 PHE A 34 10.789 4.515 -6.235 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.531 4.447 -6.412 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.411 5.392 -8.269 1.00 0.00 H new ATOM 0 HD2 PHE A 34 13.648 5.960 -7.853 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.321 7.258 -9.900 1.00 0.00 H new ATOM 0 HE2 PHE A 34 13.558 7.829 -9.481 1.00 0.00 H new ATOM 0 HZ PHE A 34 11.395 8.477 -10.506 1.00 0.00 H new HETATM 561 N NH2 A 35 12.708 2.623 -9.823 1.00 0.00 N TER 564 NH2 A 35