USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 276 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.00777 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.191) USER MOD Single : A 10 ASN : amide:sc= -1.43 K(o=-1.4,f=-5.3!) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.166 F(o=-1.3,f=-0.17) USER MOD Single : A 15 LYS NZ :NH3+ -177:sc= -0.73 (180deg=-0.864) USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 1.2 (180deg=1.14) USER MOD Single : A 22 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0268) USER MOD Single : A 24 SER OG : rot 130:sc= -3.45! 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= -0.11 X(o=-0.11,f=-0.45) USER MOD Single : A 33 SER OG : rot 180:sc= -0.776 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.490 10.346 2.596 1.00 0.00 N ATOM 2 CA GLY A 1 -6.907 9.247 1.683 1.00 0.00 C ATOM 3 C GLY A 1 -7.804 8.234 2.367 1.00 0.00 C ATOM 4 O GLY A 1 -8.632 8.593 3.203 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.538 11.254 2.091 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.125 10.373 3.419 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.515 10.180 2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.430 9.670 0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.021 8.742 1.299 1.00 0.00 H new ATOM 10 N CYS A 2 -7.636 6.964 2.012 1.00 0.00 N ATOM 11 CA CYS A 2 -8.435 5.893 2.600 1.00 0.00 C ATOM 12 C CYS A 2 -7.586 5.011 3.513 1.00 0.00 C ATOM 13 O CYS A 2 -7.949 4.770 4.663 1.00 0.00 O ATOM 14 CB CYS A 2 -9.107 5.049 1.504 1.00 0.00 C ATOM 15 SG CYS A 2 -8.771 5.601 -0.206 1.00 0.00 S ATOM 0 H CYS A 2 -6.954 6.651 1.321 1.00 0.00 H new ATOM 0 HA CYS A 2 -9.215 6.353 3.206 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -8.777 4.015 1.608 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -10.185 5.058 1.668 1.00 0.00 H new ATOM 20 N LEU A 3 -6.447 4.545 3.006 1.00 0.00 N ATOM 21 CA LEU A 3 -5.553 3.709 3.800 1.00 0.00 C ATOM 22 C LEU A 3 -4.115 4.149 3.630 1.00 0.00 C ATOM 23 O LEU A 3 -3.615 4.288 2.514 1.00 0.00 O ATOM 24 CB LEU A 3 -5.728 2.236 3.431 1.00 0.00 C ATOM 25 CG LEU A 3 -7.126 1.675 3.704 1.00 0.00 C ATOM 26 CD1 LEU A 3 -7.230 0.238 3.226 1.00 0.00 C ATOM 27 CD2 LEU A 3 -7.461 1.771 5.185 1.00 0.00 C ATOM 0 H LEU A 3 -6.124 4.731 2.057 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.814 3.826 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.500 2.110 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.999 1.646 3.986 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.848 2.273 3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.231 -0.142 3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.037 0.196 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.496 -0.374 3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.458 1.367 5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.733 1.200 5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.432 2.815 5.498 1.00 0.00 H new ATOM 39 N GLU A 4 -3.466 4.403 4.758 1.00 0.00 N ATOM 40 CA GLU A 4 -2.096 4.871 4.754 1.00 0.00 C ATOM 41 C GLU A 4 -1.098 3.737 4.531 1.00 0.00 C ATOM 42 O GLU A 4 -1.473 2.571 4.404 1.00 0.00 O ATOM 43 CB GLU A 4 -1.779 5.595 6.064 1.00 0.00 C ATOM 44 CG GLU A 4 -0.970 6.867 5.875 1.00 0.00 C ATOM 45 CD GLU A 4 -1.156 7.852 7.013 1.00 0.00 C ATOM 46 OE1 GLU A 4 -2.313 8.243 7.275 1.00 0.00 O ATOM 47 OE2 GLU A 4 -0.146 8.232 7.641 1.00 0.00 O ATOM 0 H GLU A 4 -3.871 4.291 5.687 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.996 5.565 3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.713 5.840 6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.230 4.919 6.719 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.086 6.612 5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.260 7.342 4.938 1.00 0.00 H new ATOM 54 N PHE A 5 0.181 4.104 4.489 1.00 0.00 N ATOM 55 CA PHE A 5 1.264 3.146 4.285 1.00 0.00 C ATOM 56 C PHE A 5 1.163 1.982 5.270 1.00 0.00 C ATOM 57 O PHE A 5 0.421 2.047 6.249 1.00 0.00 O ATOM 58 CB PHE A 5 2.616 3.867 4.429 1.00 0.00 C ATOM 59 CG PHE A 5 3.759 2.985 4.853 1.00 0.00 C ATOM 60 CD1 PHE A 5 3.996 2.737 6.195 1.00 0.00 C ATOM 61 CD2 PHE A 5 4.596 2.408 3.911 1.00 0.00 C ATOM 62 CE1 PHE A 5 5.045 1.930 6.591 1.00 0.00 C ATOM 63 CE2 PHE A 5 5.647 1.600 4.301 1.00 0.00 C ATOM 64 CZ PHE A 5 5.872 1.360 5.643 1.00 0.00 C ATOM 0 H PHE A 5 0.494 5.069 4.595 1.00 0.00 H new ATOM 0 HA PHE A 5 1.183 2.731 3.280 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.868 4.331 3.475 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.507 4.672 5.156 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.353 3.180 6.941 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.425 2.592 2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.218 1.745 7.641 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.292 1.156 3.557 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.692 0.728 5.950 1.00 0.00 H new ATOM 74 N TRP A 6 1.919 0.920 4.997 1.00 0.00 N ATOM 75 CA TRP A 6 1.931 -0.268 5.848 1.00 0.00 C ATOM 76 C TRP A 6 0.656 -1.086 5.674 1.00 0.00 C ATOM 77 O TRP A 6 0.709 -2.247 5.274 1.00 0.00 O ATOM 78 CB TRP A 6 2.107 0.117 7.320 1.00 0.00 C ATOM 79 CG TRP A 6 2.380 -1.057 8.210 1.00 0.00 C ATOM 80 CD1 TRP A 6 1.458 -1.899 8.761 1.00 0.00 C ATOM 81 CD2 TRP A 6 3.662 -1.520 8.653 1.00 0.00 C ATOM 82 NE1 TRP A 6 2.087 -2.857 9.519 1.00 0.00 N ATOM 83 CE2 TRP A 6 3.439 -2.645 9.468 1.00 0.00 C ATOM 84 CE3 TRP A 6 4.975 -1.093 8.438 1.00 0.00 C ATOM 85 CZ2 TRP A 6 4.481 -3.348 10.069 1.00 0.00 C ATOM 86 CZ3 TRP A 6 6.009 -1.791 9.034 1.00 0.00 C ATOM 87 CH2 TRP A 6 5.756 -2.908 9.841 1.00 0.00 C ATOM 0 H TRP A 6 2.536 0.859 4.187 1.00 0.00 H new ATOM 0 HA TRP A 6 2.778 -0.881 5.541 1.00 0.00 H new ATOM 0 HB2 TRP A 6 2.928 0.829 7.407 1.00 0.00 H new ATOM 0 HB3 TRP A 6 1.207 0.625 7.666 1.00 0.00 H new ATOM 0 HD1 TRP A 6 0.390 -1.823 8.622 1.00 0.00 H new ATOM 0 HE1 TRP A 6 1.623 -3.604 10.035 1.00 0.00 H new ATOM 0 HE3 TRP A 6 5.179 -0.233 7.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 4.289 -4.209 10.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 7.028 -1.470 8.875 1.00 0.00 H new ATOM 0 HH2 TRP A 6 6.585 -3.433 10.293 1.00 0.00 H new ATOM 98 N TRP A 7 -0.488 -0.476 5.982 1.00 0.00 N ATOM 99 CA TRP A 7 -1.780 -1.152 5.867 1.00 0.00 C ATOM 100 C TRP A 7 -1.867 -1.979 4.584 1.00 0.00 C ATOM 101 O TRP A 7 -1.683 -1.461 3.482 1.00 0.00 O ATOM 102 CB TRP A 7 -2.915 -0.126 5.920 1.00 0.00 C ATOM 103 CG TRP A 7 -3.005 0.588 7.237 1.00 0.00 C ATOM 104 CD1 TRP A 7 -2.266 0.337 8.359 1.00 0.00 C ATOM 105 CD2 TRP A 7 -3.883 1.670 7.572 1.00 0.00 C ATOM 106 NE1 TRP A 7 -2.630 1.195 9.367 1.00 0.00 N ATOM 107 CE2 TRP A 7 -3.621 2.022 8.910 1.00 0.00 C ATOM 108 CE3 TRP A 7 -4.866 2.374 6.871 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -4.305 3.048 9.558 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -5.543 3.393 7.515 1.00 0.00 C ATOM 111 CH2 TRP A 7 -5.261 3.721 8.847 1.00 0.00 C ATOM 0 H TRP A 7 -0.546 0.487 6.314 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.879 -1.838 6.709 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.771 0.607 5.126 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -3.861 -0.630 5.722 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -1.506 -0.426 8.441 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -2.228 1.213 10.304 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -5.093 2.126 5.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -4.089 3.303 10.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.302 3.946 6.982 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.809 4.521 9.322 1.00 0.00 H new ATOM 122 N LYS A 8 -2.137 -3.273 4.745 1.00 0.00 N ATOM 123 CA LYS A 8 -2.239 -4.199 3.616 1.00 0.00 C ATOM 124 C LYS A 8 -3.024 -3.595 2.455 1.00 0.00 C ATOM 125 O LYS A 8 -3.850 -2.702 2.646 1.00 0.00 O ATOM 126 CB LYS A 8 -2.901 -5.503 4.064 1.00 0.00 C ATOM 127 CG LYS A 8 -4.332 -5.326 4.542 1.00 0.00 C ATOM 128 CD LYS A 8 -4.664 -6.284 5.676 1.00 0.00 C ATOM 129 CE LYS A 8 -5.745 -5.720 6.582 1.00 0.00 C ATOM 130 NZ LYS A 8 -6.896 -5.181 5.806 1.00 0.00 N ATOM 0 H LYS A 8 -2.291 -3.708 5.655 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.227 -4.402 3.266 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.889 -6.210 3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.310 -5.943 4.867 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.480 -4.299 4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.017 -5.493 3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.994 -7.237 5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.766 -6.483 6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.096 -6.500 7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.323 -4.929 7.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.703 -5.026 6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.625 -4.279 5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.165 -5.861 5.067 1.00 0.00 H new ATOM 144 N CYS A 9 -2.759 -4.094 1.250 1.00 0.00 N ATOM 145 CA CYS A 9 -3.440 -3.609 0.056 1.00 0.00 C ATOM 146 C CYS A 9 -4.001 -4.771 -0.761 1.00 0.00 C ATOM 147 O CYS A 9 -3.435 -5.864 -0.775 1.00 0.00 O ATOM 148 CB CYS A 9 -2.487 -2.754 -0.794 1.00 0.00 C ATOM 149 SG CYS A 9 -1.557 -3.663 -2.078 1.00 0.00 S ATOM 0 H CYS A 9 -2.078 -4.833 1.076 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.277 -2.985 0.369 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.065 -1.966 -1.277 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.774 -2.265 -0.130 1.00 0.00 H new ATOM 154 N ASN A 10 -5.117 -4.527 -1.441 1.00 0.00 N ATOM 155 CA ASN A 10 -5.752 -5.553 -2.260 1.00 0.00 C ATOM 156 C ASN A 10 -6.340 -4.948 -3.535 1.00 0.00 C ATOM 157 O ASN A 10 -7.167 -4.038 -3.472 1.00 0.00 O ATOM 158 CB ASN A 10 -6.852 -6.258 -1.464 1.00 0.00 C ATOM 159 CG ASN A 10 -6.301 -7.316 -0.528 1.00 0.00 C ATOM 160 OD1 ASN A 10 -5.372 -7.060 0.238 1.00 0.00 O ATOM 161 ND2 ASN A 10 -6.873 -8.513 -0.586 1.00 0.00 N ATOM 0 H ASN A 10 -5.600 -3.628 -1.441 1.00 0.00 H new ATOM 0 HA ASN A 10 -4.991 -6.280 -2.542 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.408 -5.520 -0.886 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.557 -6.720 -2.155 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.545 -9.265 0.020 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.641 -8.680 -1.236 1.00 0.00 H new ATOM 168 N PRO A 11 -5.917 -5.442 -4.715 1.00 0.00 N ATOM 169 CA PRO A 11 -6.405 -4.942 -6.001 1.00 0.00 C ATOM 170 C PRO A 11 -7.915 -4.743 -6.021 1.00 0.00 C ATOM 171 O PRO A 11 -8.624 -5.167 -5.110 1.00 0.00 O ATOM 172 CB PRO A 11 -6.004 -6.044 -6.977 1.00 0.00 C ATOM 173 CG PRO A 11 -4.781 -6.647 -6.384 1.00 0.00 C ATOM 174 CD PRO A 11 -4.927 -6.521 -4.889 1.00 0.00 C ATOM 0 HA PRO A 11 -5.990 -3.962 -6.238 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.797 -6.784 -7.087 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.805 -5.641 -7.970 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.681 -7.692 -6.678 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.886 -6.131 -6.732 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.271 -7.454 -4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.978 -6.271 -4.415 1.00 0.00 H new ATOM 182 N ASN A 12 -8.391 -4.095 -7.074 1.00 0.00 N ATOM 183 CA ASN A 12 -9.818 -3.828 -7.238 1.00 0.00 C ATOM 184 C ASN A 12 -10.310 -2.828 -6.196 1.00 0.00 C ATOM 185 O ASN A 12 -10.661 -1.695 -6.525 1.00 0.00 O ATOM 186 CB ASN A 12 -10.621 -5.127 -7.138 1.00 0.00 C ATOM 187 CG ASN A 12 -10.068 -6.219 -8.032 1.00 0.00 C ATOM 188 OD1 ASN A 12 -9.215 -7.068 -7.470 1.00 0.00 O flip ATOM 189 ND2 ASN A 12 -10.403 -6.300 -9.213 1.00 0.00 N flip ATOM 0 H ASN A 12 -7.809 -3.741 -7.833 1.00 0.00 H new ATOM 0 HA ASN A 12 -9.967 -3.396 -8.227 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.620 -5.473 -6.104 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.659 -4.931 -7.408 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -11.061 -5.626 -9.604 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -10.022 -7.041 -9.801 1.00 0.00 H new ATOM 196 N ASP A 13 -10.335 -3.256 -4.937 1.00 0.00 N ATOM 197 CA ASP A 13 -10.785 -2.396 -3.847 1.00 0.00 C ATOM 198 C ASP A 13 -9.923 -1.141 -3.752 1.00 0.00 C ATOM 199 O ASP A 13 -10.400 -0.077 -3.358 1.00 0.00 O ATOM 200 CB ASP A 13 -10.747 -3.157 -2.520 1.00 0.00 C ATOM 201 CG ASP A 13 -11.902 -2.790 -1.610 1.00 0.00 C ATOM 202 OD1 ASP A 13 -12.451 -1.679 -1.765 1.00 0.00 O ATOM 203 OD2 ASP A 13 -12.258 -3.614 -0.741 1.00 0.00 O ATOM 0 H ASP A 13 -10.050 -4.191 -4.647 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.811 -2.094 -4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.770 -4.229 -2.718 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.806 -2.947 -2.011 1.00 0.00 H new ATOM 208 N ASP A 14 -8.652 -1.274 -4.115 1.00 0.00 N ATOM 209 CA ASP A 14 -7.723 -0.152 -4.070 1.00 0.00 C ATOM 210 C ASP A 14 -7.593 0.392 -2.651 1.00 0.00 C ATOM 211 O ASP A 14 -8.165 1.431 -2.318 1.00 0.00 O ATOM 212 CB ASP A 14 -8.187 0.959 -5.015 1.00 0.00 C ATOM 213 CG ASP A 14 -7.027 1.708 -5.641 1.00 0.00 C ATOM 214 OD1 ASP A 14 -6.053 2.007 -4.917 1.00 0.00 O ATOM 215 OD2 ASP A 14 -7.091 1.996 -6.855 1.00 0.00 O ATOM 0 H ASP A 14 -8.242 -2.148 -4.444 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.745 -0.509 -4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.805 0.528 -5.803 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.815 1.661 -4.466 1.00 0.00 H new ATOM 220 N LYS A 15 -6.838 -0.316 -1.818 1.00 0.00 N ATOM 221 CA LYS A 15 -6.634 0.096 -0.434 1.00 0.00 C ATOM 222 C LYS A 15 -5.722 1.314 -0.359 1.00 0.00 C ATOM 223 O LYS A 15 -6.047 2.306 0.294 1.00 0.00 O ATOM 224 CB LYS A 15 -6.034 -1.050 0.377 1.00 0.00 C ATOM 225 CG LYS A 15 -6.835 -2.342 0.295 1.00 0.00 C ATOM 226 CD LYS A 15 -8.030 -2.323 1.235 1.00 0.00 C ATOM 227 CE LYS A 15 -9.149 -1.443 0.700 1.00 0.00 C ATOM 228 NZ LYS A 15 -10.490 -2.046 0.933 1.00 0.00 N ATOM 0 H LYS A 15 -6.357 -1.178 -2.077 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.604 0.362 -0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.019 -1.239 0.027 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.959 -0.745 1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.179 -2.493 -0.728 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.191 -3.186 0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.400 -3.339 1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.718 -1.960 2.214 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.103 -0.465 1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.004 -1.281 -0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.221 -1.440 0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.527 -2.990 0.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.660 -2.130 1.956 1.00 0.00 H new ATOM 242 N CYS A 16 -4.580 1.235 -1.034 1.00 0.00 N ATOM 243 CA CYS A 16 -3.627 2.336 -1.046 1.00 0.00 C ATOM 244 C CYS A 16 -4.225 3.545 -1.754 1.00 0.00 C ATOM 245 O CYS A 16 -4.839 3.413 -2.813 1.00 0.00 O ATOM 246 CB CYS A 16 -2.330 1.908 -1.734 1.00 0.00 C ATOM 247 SG CYS A 16 -1.694 0.296 -1.173 1.00 0.00 S ATOM 0 H CYS A 16 -4.293 0.421 -1.578 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.401 2.611 -0.016 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.498 1.867 -2.810 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.569 2.669 -1.559 1.00 0.00 H new ATOM 252 N CYS A 17 -4.054 4.720 -1.161 1.00 0.00 N ATOM 253 CA CYS A 17 -4.596 5.944 -1.740 1.00 0.00 C ATOM 254 C CYS A 17 -3.612 7.100 -1.593 1.00 0.00 C ATOM 255 O CYS A 17 -3.974 8.189 -1.146 1.00 0.00 O ATOM 256 CB CYS A 17 -5.933 6.296 -1.077 1.00 0.00 C ATOM 257 SG CYS A 17 -6.935 4.842 -0.614 1.00 0.00 S ATOM 0 H CYS A 17 -3.548 4.852 -0.285 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.762 5.774 -2.804 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.739 6.890 -0.184 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.511 6.922 -1.757 1.00 0.00 H new ATOM 262 N ARG A 18 -2.365 6.854 -1.979 1.00 0.00 N ATOM 263 CA ARG A 18 -1.323 7.871 -1.899 1.00 0.00 C ATOM 264 C ARG A 18 -0.420 7.813 -3.129 1.00 0.00 C ATOM 265 O ARG A 18 -0.197 6.743 -3.695 1.00 0.00 O ATOM 266 CB ARG A 18 -0.494 7.684 -0.627 1.00 0.00 C ATOM 267 CG ARG A 18 -0.803 8.707 0.454 1.00 0.00 C ATOM 268 CD ARG A 18 -1.926 8.234 1.363 1.00 0.00 C ATOM 269 NE ARG A 18 -2.473 9.322 2.169 1.00 0.00 N ATOM 270 CZ ARG A 18 -1.894 9.791 3.272 1.00 0.00 C ATOM 271 NH1 ARG A 18 -0.751 9.270 3.703 1.00 0.00 N ATOM 272 NH2 ARG A 18 -2.458 10.783 3.947 1.00 0.00 N ATOM 0 H ARG A 18 -2.051 5.958 -2.351 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.801 8.850 -1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.671 6.684 -0.231 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.564 7.744 -0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.092 8.893 1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.082 9.654 -0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.720 7.795 0.759 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.554 7.448 2.020 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.350 9.747 1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.312 8.507 3.188 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.312 9.633 4.549 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.336 11.187 3.621 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.014 11.142 4.792 1.00 0.00 H new ATOM 286 N PRO A 19 0.110 8.969 -3.562 1.00 0.00 N ATOM 287 CA PRO A 19 0.988 9.045 -4.733 1.00 0.00 C ATOM 288 C PRO A 19 2.361 8.466 -4.486 1.00 0.00 C ATOM 289 O PRO A 19 3.172 8.366 -5.407 1.00 0.00 O ATOM 290 CB PRO A 19 1.077 10.545 -5.011 1.00 0.00 C ATOM 291 CG PRO A 19 0.850 11.188 -3.687 1.00 0.00 C ATOM 292 CD PRO A 19 -0.109 10.293 -2.947 1.00 0.00 C ATOM 0 HA PRO A 19 0.595 8.462 -5.566 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.050 10.815 -5.421 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.327 10.858 -5.737 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.786 11.293 -3.139 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.436 12.189 -3.806 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.100 10.278 -1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.140 10.625 -3.066 1.00 0.00 H new ATOM 300 N LYS A 20 2.635 8.098 -3.249 1.00 0.00 N ATOM 301 CA LYS A 20 3.927 7.550 -2.920 1.00 0.00 C ATOM 302 C LYS A 20 3.848 6.064 -2.554 1.00 0.00 C ATOM 303 O LYS A 20 4.868 5.373 -2.531 1.00 0.00 O ATOM 304 CB LYS A 20 4.552 8.397 -1.820 1.00 0.00 C ATOM 305 CG LYS A 20 4.904 7.651 -0.538 1.00 0.00 C ATOM 306 CD LYS A 20 3.667 7.362 0.294 1.00 0.00 C ATOM 307 CE LYS A 20 2.927 8.640 0.656 1.00 0.00 C ATOM 308 NZ LYS A 20 2.615 8.712 2.111 1.00 0.00 N ATOM 0 H LYS A 20 1.985 8.169 -2.466 1.00 0.00 H new ATOM 0 HA LYS A 20 4.571 7.590 -3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.458 8.859 -2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.864 9.205 -1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.404 6.715 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.608 8.243 0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.002 6.700 -0.260 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.954 6.837 1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.531 9.502 0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.001 8.697 0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.066 9.574 2.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.060 7.878 2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.501 8.735 2.655 1.00 0.00 H new ATOM 322 N LEU A 21 2.642 5.568 -2.277 1.00 0.00 N ATOM 323 CA LEU A 21 2.467 4.159 -1.929 1.00 0.00 C ATOM 324 C LEU A 21 2.257 3.316 -3.182 1.00 0.00 C ATOM 325 O LEU A 21 1.847 3.826 -4.225 1.00 0.00 O ATOM 326 CB LEU A 21 1.282 3.967 -0.976 1.00 0.00 C ATOM 327 CG LEU A 21 1.235 4.921 0.216 1.00 0.00 C ATOM 328 CD1 LEU A 21 -0.029 4.693 1.031 1.00 0.00 C ATOM 329 CD2 LEU A 21 2.468 4.745 1.086 1.00 0.00 C ATOM 0 H LEU A 21 1.781 6.114 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 21 3.376 3.831 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.359 4.079 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.303 2.944 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 21 1.222 5.944 -0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.046 5.381 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.903 4.867 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.045 3.667 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.418 5.432 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.510 3.720 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.361 4.956 0.498 1.00 0.00 H new ATOM 341 N LYS A 22 2.539 2.022 -3.072 1.00 0.00 N ATOM 342 CA LYS A 22 2.380 1.105 -4.194 1.00 0.00 C ATOM 343 C LYS A 22 1.963 -0.277 -3.702 1.00 0.00 C ATOM 344 O LYS A 22 2.492 -0.777 -2.710 1.00 0.00 O ATOM 345 CB LYS A 22 3.683 1.005 -4.990 1.00 0.00 C ATOM 346 CG LYS A 22 3.779 2.010 -6.126 1.00 0.00 C ATOM 347 CD LYS A 22 4.554 3.250 -5.708 1.00 0.00 C ATOM 348 CE LYS A 22 5.996 3.192 -6.185 1.00 0.00 C ATOM 349 NZ LYS A 22 6.107 3.441 -7.649 1.00 0.00 N ATOM 0 H LYS A 22 2.879 1.585 -2.216 1.00 0.00 H new ATOM 0 HA LYS A 22 1.598 1.495 -4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.525 1.152 -4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.774 -0.002 -5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.267 1.546 -6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.777 2.296 -6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.070 4.138 -6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.532 3.345 -4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.587 3.932 -5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.417 2.214 -5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.928 2.927 -8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.243 3.111 -8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.228 4.460 -7.820 1.00 0.00 H new ATOM 363 N CYS A 23 1.007 -0.888 -4.397 1.00 0.00 N ATOM 364 CA CYS A 23 0.520 -2.211 -4.024 1.00 0.00 C ATOM 365 C CYS A 23 1.598 -3.265 -4.269 1.00 0.00 C ATOM 366 O CYS A 23 1.467 -4.114 -5.152 1.00 0.00 O ATOM 367 CB CYS A 23 -0.747 -2.551 -4.821 1.00 0.00 C ATOM 368 SG CYS A 23 -2.240 -2.853 -3.812 1.00 0.00 S ATOM 0 H CYS A 23 0.556 -0.488 -5.220 1.00 0.00 H new ATOM 0 HA CYS A 23 0.277 -2.206 -2.962 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.953 -1.733 -5.512 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.551 -3.437 -5.425 1.00 0.00 H new ATOM 373 N SER A 24 2.670 -3.198 -3.488 1.00 0.00 N ATOM 374 CA SER A 24 3.776 -4.139 -3.625 1.00 0.00 C ATOM 375 C SER A 24 3.427 -5.491 -3.013 1.00 0.00 C ATOM 376 O SER A 24 2.950 -5.567 -1.881 1.00 0.00 O ATOM 377 CB SER A 24 5.035 -3.577 -2.962 1.00 0.00 C ATOM 378 OG SER A 24 6.194 -3.907 -3.707 1.00 0.00 O ATOM 0 H SER A 24 2.797 -2.502 -2.753 1.00 0.00 H new ATOM 0 HA SER A 24 3.964 -4.283 -4.689 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.951 -2.494 -2.875 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.124 -3.972 -1.950 1.00 0.00 H new ATOM 0 HG SER A 24 6.727 -3.099 -3.858 1.00 0.00 H new ATOM 384 N LYS A 25 3.675 -6.556 -3.768 1.00 0.00 N ATOM 385 CA LYS A 25 3.392 -7.907 -3.300 1.00 0.00 C ATOM 386 C LYS A 25 4.570 -8.474 -2.508 1.00 0.00 C ATOM 387 O LYS A 25 4.550 -9.635 -2.098 1.00 0.00 O ATOM 388 CB LYS A 25 3.073 -8.822 -4.484 1.00 0.00 C ATOM 389 CG LYS A 25 4.136 -8.806 -5.570 1.00 0.00 C ATOM 390 CD LYS A 25 4.174 -10.120 -6.332 1.00 0.00 C ATOM 391 CE LYS A 25 2.854 -10.395 -7.033 1.00 0.00 C ATOM 392 NZ LYS A 25 2.895 -10.007 -8.469 1.00 0.00 N ATOM 0 H LYS A 25 4.071 -6.509 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 25 2.526 -7.859 -2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.952 -9.843 -4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.119 -8.522 -4.917 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.937 -7.988 -6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.112 -8.615 -5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.979 -10.093 -7.067 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.398 -10.935 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.613 -11.455 -6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.056 -9.847 -6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.975 -10.211 -8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.099 -8.990 -8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.639 -10.548 -8.954 1.00 0.00 H new ATOM 406 N LEU A 26 5.596 -7.652 -2.292 1.00 0.00 N ATOM 407 CA LEU A 26 6.774 -8.078 -1.547 1.00 0.00 C ATOM 408 C LEU A 26 6.398 -8.532 -0.139 1.00 0.00 C ATOM 409 O LEU A 26 7.137 -9.282 0.498 1.00 0.00 O ATOM 410 CB LEU A 26 7.797 -6.943 -1.475 1.00 0.00 C ATOM 411 CG LEU A 26 7.340 -5.707 -0.698 1.00 0.00 C ATOM 412 CD1 LEU A 26 7.808 -5.783 0.747 1.00 0.00 C ATOM 413 CD2 LEU A 26 7.856 -4.438 -1.361 1.00 0.00 C ATOM 0 H LEU A 26 5.633 -6.688 -2.623 1.00 0.00 H new ATOM 0 HA LEU A 26 7.217 -8.924 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.709 -7.325 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.053 -6.641 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 26 6.250 -5.679 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.474 -4.896 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.390 -6.672 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.896 -5.836 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.521 -3.569 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.946 -4.457 -1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.472 -4.377 -2.379 1.00 0.00 H new ATOM 425 N PHE A 27 5.242 -8.079 0.340 1.00 0.00 N ATOM 426 CA PHE A 27 4.774 -8.448 1.671 1.00 0.00 C ATOM 427 C PHE A 27 3.270 -8.233 1.826 1.00 0.00 C ATOM 428 O PHE A 27 2.767 -8.148 2.944 1.00 0.00 O ATOM 429 CB PHE A 27 5.537 -7.678 2.758 1.00 0.00 C ATOM 430 CG PHE A 27 5.282 -6.191 2.800 1.00 0.00 C ATOM 431 CD1 PHE A 27 4.968 -5.472 1.654 1.00 0.00 C ATOM 432 CD2 PHE A 27 5.377 -5.508 4.003 1.00 0.00 C ATOM 433 CE1 PHE A 27 4.754 -4.107 1.711 1.00 0.00 C ATOM 434 CE2 PHE A 27 5.166 -4.144 4.066 1.00 0.00 C ATOM 435 CZ PHE A 27 4.853 -3.442 2.918 1.00 0.00 C ATOM 0 H PHE A 27 4.615 -7.458 -0.172 1.00 0.00 H new ATOM 0 HA PHE A 27 4.972 -9.513 1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.278 -8.101 3.728 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.605 -7.842 2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.890 -5.985 0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.620 -6.051 4.905 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.509 -3.561 0.812 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.246 -3.627 5.011 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.686 -2.376 2.964 1.00 0.00 H new ATOM 445 N LYS A 28 2.554 -8.169 0.703 1.00 0.00 N ATOM 446 CA LYS A 28 1.102 -7.990 0.724 1.00 0.00 C ATOM 447 C LYS A 28 0.699 -6.652 1.333 1.00 0.00 C ATOM 448 O LYS A 28 -0.444 -6.478 1.757 1.00 0.00 O ATOM 449 CB LYS A 28 0.445 -9.118 1.516 1.00 0.00 C ATOM 450 CG LYS A 28 0.636 -10.488 0.891 1.00 0.00 C ATOM 451 CD LYS A 28 -0.691 -11.201 0.681 1.00 0.00 C ATOM 452 CE LYS A 28 -0.582 -12.684 0.993 1.00 0.00 C ATOM 453 NZ LYS A 28 0.137 -13.426 -0.079 1.00 0.00 N ATOM 0 H LYS A 28 2.956 -8.238 -0.232 1.00 0.00 H new ATOM 0 HA LYS A 28 0.761 -8.009 -0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.854 -9.128 2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.622 -8.914 1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.148 -10.383 -0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.277 -11.094 1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.452 -10.749 1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.017 -11.068 -0.350 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.060 -12.818 1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.580 -13.103 1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.190 -14.434 0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.375 -13.320 -0.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.099 -13.044 -0.181 1.00 0.00 H new ATOM 467 N LEU A 29 1.632 -5.711 1.388 1.00 0.00 N ATOM 468 CA LEU A 29 1.348 -4.404 1.964 1.00 0.00 C ATOM 469 C LEU A 29 1.826 -3.279 1.048 1.00 0.00 C ATOM 470 O LEU A 29 2.430 -3.529 0.005 1.00 0.00 O ATOM 471 CB LEU A 29 2.012 -4.292 3.335 1.00 0.00 C ATOM 472 CG LEU A 29 1.183 -4.823 4.510 1.00 0.00 C ATOM 473 CD1 LEU A 29 0.844 -6.290 4.313 1.00 0.00 C ATOM 474 CD2 LEU A 29 1.937 -4.622 5.816 1.00 0.00 C ATOM 0 H LEU A 29 2.585 -5.827 1.044 1.00 0.00 H new ATOM 0 HA LEU A 29 0.268 -4.304 2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.959 -4.831 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.247 -3.244 3.522 1.00 0.00 H new ATOM 0 HG LEU A 29 0.249 -4.263 4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.256 -6.644 5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.269 -6.410 3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.764 -6.870 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.339 -5.003 6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.884 -5.159 5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.129 -3.559 5.966 1.00 0.00 H new ATOM 486 N CYS A 30 1.547 -2.039 1.444 1.00 0.00 N ATOM 487 CA CYS A 30 1.948 -0.877 0.655 1.00 0.00 C ATOM 488 C CYS A 30 3.179 -0.207 1.257 1.00 0.00 C ATOM 489 O CYS A 30 3.293 -0.074 2.475 1.00 0.00 O ATOM 490 CB CYS A 30 0.796 0.129 0.557 1.00 0.00 C ATOM 491 SG CYS A 30 0.320 0.546 -1.152 1.00 0.00 S ATOM 0 H CYS A 30 1.046 -1.814 2.304 1.00 0.00 H new ATOM 0 HA CYS A 30 2.200 -1.223 -0.348 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.072 -0.277 1.076 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.080 1.043 1.078 1.00 0.00 H new ATOM 496 N ASN A 31 4.097 0.214 0.393 1.00 0.00 N ATOM 497 CA ASN A 31 5.320 0.873 0.838 1.00 0.00 C ATOM 498 C ASN A 31 5.502 2.213 0.134 1.00 0.00 C ATOM 499 O ASN A 31 5.038 2.404 -0.990 1.00 0.00 O ATOM 500 CB ASN A 31 6.531 -0.023 0.575 1.00 0.00 C ATOM 501 CG ASN A 31 7.697 0.297 1.490 1.00 0.00 C ATOM 502 OD1 ASN A 31 7.827 -0.275 2.571 1.00 0.00 O ATOM 503 ND2 ASN A 31 8.552 1.217 1.058 1.00 0.00 N ATOM 0 H ASN A 31 4.017 0.111 -0.619 1.00 0.00 H new ATOM 0 HA ASN A 31 5.237 1.054 1.910 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.244 -1.066 0.709 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.845 0.091 -0.463 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.356 1.475 1.630 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.405 1.666 0.154 1.00 0.00 H new ATOM 510 N PHE A 32 6.181 3.140 0.804 1.00 0.00 N ATOM 511 CA PHE A 32 6.425 4.464 0.242 1.00 0.00 C ATOM 512 C PHE A 32 7.147 4.366 -1.098 1.00 0.00 C ATOM 513 O PHE A 32 7.372 3.271 -1.614 1.00 0.00 O ATOM 514 CB PHE A 32 7.247 5.310 1.218 1.00 0.00 C ATOM 515 CG PHE A 32 6.413 6.191 2.104 1.00 0.00 C ATOM 516 CD1 PHE A 32 5.384 5.657 2.865 1.00 0.00 C ATOM 517 CD2 PHE A 32 6.658 7.552 2.177 1.00 0.00 C ATOM 518 CE1 PHE A 32 4.618 6.465 3.682 1.00 0.00 C ATOM 519 CE2 PHE A 32 5.895 8.366 2.992 1.00 0.00 C ATOM 520 CZ PHE A 32 4.873 7.821 3.745 1.00 0.00 C ATOM 0 H PHE A 32 6.571 2.999 1.736 1.00 0.00 H new ATOM 0 HA PHE A 32 5.460 4.944 0.077 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.848 4.648 1.841 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.940 5.932 0.651 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.179 4.598 2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.455 7.983 1.590 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.820 6.037 4.271 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.097 9.426 3.040 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.274 8.455 4.382 1.00 0.00 H new ATOM 530 N SER A 33 7.510 5.516 -1.655 1.00 0.00 N ATOM 531 CA SER A 33 8.207 5.558 -2.936 1.00 0.00 C ATOM 532 C SER A 33 9.605 4.961 -2.814 1.00 0.00 C ATOM 533 O SER A 33 10.078 4.273 -3.719 1.00 0.00 O ATOM 534 CB SER A 33 8.298 6.999 -3.443 1.00 0.00 C ATOM 535 OG SER A 33 9.360 7.695 -2.813 1.00 0.00 O ATOM 0 H SER A 33 7.334 6.431 -1.240 1.00 0.00 H new ATOM 0 HA SER A 33 7.638 4.963 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.449 6.999 -4.523 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.357 7.515 -3.252 1.00 0.00 H new ATOM 0 HG SER A 33 9.398 8.613 -3.155 1.00 0.00 H new ATOM 541 N PHE A 34 10.261 5.227 -1.690 1.00 0.00 N ATOM 542 CA PHE A 34 11.605 4.714 -1.449 1.00 0.00 C ATOM 543 C PHE A 34 11.726 4.142 -0.041 1.00 0.00 C ATOM 544 O PHE A 34 12.867 4.014 0.450 1.00 0.00 O ATOM 545 CB PHE A 34 12.639 5.824 -1.651 1.00 0.00 C ATOM 546 CG PHE A 34 12.273 7.116 -0.979 1.00 0.00 C ATOM 547 CD1 PHE A 34 12.216 7.201 0.402 1.00 0.00 C ATOM 548 CD2 PHE A 34 11.985 8.245 -1.730 1.00 0.00 C ATOM 549 CE1 PHE A 34 11.880 8.389 1.023 1.00 0.00 C ATOM 550 CE2 PHE A 34 11.648 9.435 -1.114 1.00 0.00 C ATOM 551 CZ PHE A 34 11.595 9.508 0.264 1.00 0.00 C ATOM 552 OXT PHE A 34 10.676 3.826 0.560 1.00 0.00 O ATOM 0 H PHE A 34 9.884 5.795 -0.931 1.00 0.00 H new ATOM 0 HA PHE A 34 11.795 3.913 -2.164 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.602 5.486 -1.269 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.764 6.002 -2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.437 6.329 1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 34 12.024 8.194 -2.808 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.840 8.443 2.101 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.426 10.308 -1.710 1.00 0.00 H new ATOM 0 HZ PHE A 34 11.331 10.437 0.747 1.00 0.00 H new TER 562 PHE A 34