USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=7 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+ -128:sc= 0.106 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.121 F(o=-1.1,f=-0.12) USER MOD Single : A 12 ASN :FLIP amide:sc= 0.477 F(o=-0.96,f=0.48) 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+ -166:sc= -0.0223 (180deg=-0.274) USER MOD Single : A 24 SER OG : rot -160:sc= -0.204 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 :FLIP amide:sc= -1.34 F(o=-2.8,f=-1.3) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.078 4.811 -2.627 1.00 0.00 N ATOM 2 CA GLY A 1 -8.734 5.377 -2.318 1.00 0.00 C ATOM 3 C GLY A 1 -7.701 4.248 -2.272 1.00 0.00 C ATOM 4 O GLY A 1 -7.949 3.148 -2.724 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.495 5.325 -3.429 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.983 3.805 -2.873 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.695 4.907 -1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.454 6.110 -3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.759 5.900 -1.362 1.00 0.00 H new ATOM 10 N CYS A 2 -6.544 4.513 -1.729 1.00 0.00 N ATOM 11 CA CYS A 2 -5.497 3.458 -1.652 1.00 0.00 C ATOM 12 C CYS A 2 -5.036 3.270 -0.203 1.00 0.00 C ATOM 13 O CYS A 2 -5.623 3.800 0.718 1.00 0.00 O ATOM 14 CB CYS A 2 -4.350 3.966 -2.528 1.00 0.00 C ATOM 15 SG CYS A 2 -4.044 5.723 -2.212 1.00 0.00 S ATOM 0 H CYS A 2 -6.280 5.416 -1.335 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.863 2.489 -1.991 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.447 3.391 -2.325 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.593 3.816 -3.580 1.00 0.00 H new ATOM 20 N LEU A 3 -4.000 2.503 0.006 1.00 0.00 N ATOM 21 CA LEU A 3 -3.515 2.264 1.395 1.00 0.00 C ATOM 22 C LEU A 3 -2.313 3.159 1.723 1.00 0.00 C ATOM 23 O LEU A 3 -1.976 4.059 0.985 1.00 0.00 O ATOM 24 CB LEU A 3 -3.102 0.793 1.405 1.00 0.00 C ATOM 25 CG LEU A 3 -4.170 -0.054 0.704 1.00 0.00 C ATOM 26 CD1 LEU A 3 -3.781 -1.531 0.781 1.00 0.00 C ATOM 27 CD2 LEU A 3 -5.523 0.150 1.390 1.00 0.00 C ATOM 0 H LEU A 3 -3.469 2.032 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.277 2.493 2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.142 0.672 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.970 0.450 2.431 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.243 0.252 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.540 -2.134 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.819 -1.680 0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.706 -1.833 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.280 -0.454 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.451 -0.153 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.804 1.202 1.336 1.00 0.00 H new ATOM 39 N GLU A 4 -1.669 2.916 2.835 1.00 0.00 N ATOM 40 CA GLU A 4 -0.494 3.753 3.222 1.00 0.00 C ATOM 41 C GLU A 4 0.798 3.172 2.645 1.00 0.00 C ATOM 42 O GLU A 4 0.778 2.306 1.795 1.00 0.00 O ATOM 43 CB GLU A 4 -0.465 3.711 4.751 1.00 0.00 C ATOM 44 CG GLU A 4 -0.796 5.097 5.306 1.00 0.00 C ATOM 45 CD GLU A 4 -0.900 5.028 6.831 1.00 0.00 C ATOM 46 OE1 GLU A 4 -0.121 4.300 7.425 1.00 0.00 O ATOM 47 OE2 GLU A 4 -1.755 5.703 7.380 1.00 0.00 O ATOM 0 H GLU A 4 -1.906 2.173 3.493 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.575 4.771 2.840 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.184 2.979 5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.518 3.394 5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.024 5.810 5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.735 5.454 4.883 1.00 0.00 H new ATOM 54 N PHE A 5 1.921 3.657 3.097 1.00 0.00 N ATOM 55 CA PHE A 5 3.227 3.157 2.573 1.00 0.00 C ATOM 56 C PHE A 5 3.536 1.752 3.118 1.00 0.00 C ATOM 57 O PHE A 5 4.577 1.195 2.838 1.00 0.00 O ATOM 58 CB PHE A 5 4.253 4.197 3.063 1.00 0.00 C ATOM 59 CG PHE A 5 5.538 3.529 3.513 1.00 0.00 C ATOM 60 CD1 PHE A 5 5.581 2.856 4.741 1.00 0.00 C ATOM 61 CD2 PHE A 5 6.680 3.586 2.705 1.00 0.00 C ATOM 62 CE1 PHE A 5 6.767 2.241 5.160 1.00 0.00 C ATOM 63 CE2 PHE A 5 7.865 2.970 3.125 1.00 0.00 C ATOM 64 CZ PHE A 5 7.909 2.298 4.353 1.00 0.00 C ATOM 0 H PHE A 5 1.993 4.382 3.811 1.00 0.00 H new ATOM 0 HA PHE A 5 3.235 3.055 1.488 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.469 4.904 2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.829 4.769 3.888 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.700 2.812 5.364 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.647 4.105 1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.801 1.722 6.107 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.746 3.013 2.502 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.824 1.824 4.677 1.00 0.00 H new ATOM 74 N TRP A 6 2.657 1.175 3.892 1.00 0.00 N ATOM 75 CA TRP A 6 2.945 -0.186 4.435 1.00 0.00 C ATOM 76 C TRP A 6 1.661 -0.876 4.903 1.00 0.00 C ATOM 77 O TRP A 6 1.554 -1.305 6.034 1.00 0.00 O ATOM 78 CB TRP A 6 3.883 0.061 5.619 1.00 0.00 C ATOM 79 CG TRP A 6 4.495 -1.229 6.062 1.00 0.00 C ATOM 80 CD1 TRP A 6 4.298 -1.808 7.268 1.00 0.00 C ATOM 81 CD2 TRP A 6 5.401 -2.104 5.329 1.00 0.00 C ATOM 82 NE1 TRP A 6 5.025 -2.985 7.323 1.00 0.00 N ATOM 83 CE2 TRP A 6 5.721 -3.211 6.152 1.00 0.00 C ATOM 84 CE3 TRP A 6 5.969 -2.047 4.045 1.00 0.00 C ATOM 85 CZ2 TRP A 6 6.575 -4.224 5.715 1.00 0.00 C ATOM 86 CZ3 TRP A 6 6.830 -3.064 3.602 1.00 0.00 C ATOM 87 CH2 TRP A 6 7.131 -4.151 4.436 1.00 0.00 C ATOM 0 H TRP A 6 1.763 1.580 4.170 1.00 0.00 H new ATOM 0 HA TRP A 6 3.385 -0.840 3.682 1.00 0.00 H new ATOM 0 HB2 TRP A 6 4.665 0.765 5.334 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.331 0.513 6.443 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.675 -1.416 8.059 1.00 0.00 H new ATOM 0 HE1 TRP A 6 5.044 -3.609 8.130 1.00 0.00 H new ATOM 0 HE3 TRP A 6 5.742 -1.215 3.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 6.804 -5.058 6.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 7.263 -3.009 2.614 1.00 0.00 H new ATOM 0 HH2 TRP A 6 7.792 -4.931 4.089 1.00 0.00 H new ATOM 98 N TRP A 7 0.694 -1.002 4.041 1.00 0.00 N ATOM 99 CA TRP A 7 -0.571 -1.684 4.436 1.00 0.00 C ATOM 100 C TRP A 7 -0.678 -3.009 3.681 1.00 0.00 C ATOM 101 O TRP A 7 0.060 -3.250 2.751 1.00 0.00 O ATOM 102 CB TRP A 7 -1.689 -0.729 4.014 1.00 0.00 C ATOM 103 CG TRP A 7 -1.930 0.272 5.099 1.00 0.00 C ATOM 104 CD1 TRP A 7 -1.106 0.493 6.150 1.00 0.00 C ATOM 105 CD2 TRP A 7 -3.052 1.188 5.258 1.00 0.00 C ATOM 106 NE1 TRP A 7 -1.652 1.487 6.943 1.00 0.00 N ATOM 107 CE2 TRP A 7 -2.850 1.947 6.435 1.00 0.00 C ATOM 108 CE3 TRP A 7 -4.213 1.432 4.503 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -3.769 2.912 6.850 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -5.140 2.404 4.916 1.00 0.00 C ATOM 111 CH2 TRP A 7 -4.917 3.143 6.087 1.00 0.00 C ATOM 0 H TRP A 7 0.723 -0.663 3.079 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.620 -1.906 5.502 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.416 -0.220 3.090 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.602 -1.289 3.812 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.175 -0.022 6.339 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.221 1.837 7.799 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.393 0.868 3.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.594 3.476 7.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.029 2.583 4.329 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.632 3.890 6.399 1.00 0.00 H new ATOM 122 N LYS A 8 -1.580 -3.872 4.061 1.00 0.00 N ATOM 123 CA LYS A 8 -1.696 -5.169 3.334 1.00 0.00 C ATOM 124 C LYS A 8 -1.628 -4.914 1.828 1.00 0.00 C ATOM 125 O LYS A 8 -1.838 -3.810 1.369 1.00 0.00 O ATOM 126 CB LYS A 8 -3.058 -5.745 3.717 1.00 0.00 C ATOM 127 CG LYS A 8 -3.247 -5.672 5.235 1.00 0.00 C ATOM 128 CD LYS A 8 -4.244 -6.744 5.677 1.00 0.00 C ATOM 129 CE LYS A 8 -5.473 -6.075 6.294 1.00 0.00 C ATOM 130 NZ LYS A 8 -6.520 -6.146 5.237 1.00 0.00 N ATOM 0 H LYS A 8 -2.234 -3.739 4.833 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.892 -5.858 3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.851 -5.190 3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.132 -6.780 3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.292 -5.819 5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.609 -4.684 5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.539 -7.355 4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.778 -7.412 6.402 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.791 -6.591 7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.263 -5.042 6.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.396 -5.706 5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.192 -5.640 4.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.704 -7.141 4.997 1.00 0.00 H new ATOM 144 N CYS A 9 -1.326 -5.916 1.056 1.00 0.00 N ATOM 145 CA CYS A 9 -1.237 -5.707 -0.417 1.00 0.00 C ATOM 146 C CYS A 9 -1.353 -7.034 -1.166 1.00 0.00 C ATOM 147 O CYS A 9 -1.388 -8.095 -0.575 1.00 0.00 O ATOM 148 CB CYS A 9 0.144 -5.095 -0.645 1.00 0.00 C ATOM 149 SG CYS A 9 1.415 -6.311 -0.215 1.00 0.00 S ATOM 0 H CYS A 9 -1.137 -6.866 1.376 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.042 -5.070 -0.783 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.252 -4.791 -1.686 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.262 -4.198 -0.037 1.00 0.00 H new ATOM 154 N ASN A 10 -1.408 -6.977 -2.468 1.00 0.00 N ATOM 155 CA ASN A 10 -1.516 -8.227 -3.269 1.00 0.00 C ATOM 156 C ASN A 10 -1.087 -7.967 -4.716 1.00 0.00 C ATOM 157 O ASN A 10 -1.652 -7.126 -5.386 1.00 0.00 O ATOM 158 CB ASN A 10 -2.996 -8.606 -3.211 1.00 0.00 C ATOM 159 CG ASN A 10 -3.135 -10.128 -3.150 1.00 0.00 C ATOM 160 OD1 ASN A 10 -3.592 -10.771 -4.189 1.00 0.00 O flip ATOM 161 ND2 ASN A 10 -2.824 -10.738 -2.146 1.00 0.00 N flip ATOM 0 H ASN A 10 -1.383 -6.115 -3.013 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.875 -9.020 -2.885 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.464 -8.153 -2.337 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.515 -8.218 -4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.467 -10.235 -1.334 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.920 -11.753 -2.116 1.00 0.00 H new ATOM 168 N PRO A 11 -0.110 -8.713 -5.157 1.00 0.00 N ATOM 169 CA PRO A 11 0.385 -8.573 -6.550 1.00 0.00 C ATOM 170 C PRO A 11 -0.719 -8.965 -7.534 1.00 0.00 C ATOM 171 O PRO A 11 -0.651 -8.675 -8.712 1.00 0.00 O ATOM 172 CB PRO A 11 1.569 -9.542 -6.605 1.00 0.00 C ATOM 173 CG PRO A 11 1.296 -10.526 -5.516 1.00 0.00 C ATOM 174 CD PRO A 11 0.618 -9.747 -4.421 1.00 0.00 C ATOM 0 HA PRO A 11 0.676 -7.557 -6.818 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.636 -10.033 -7.576 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.514 -9.024 -6.444 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.659 -11.336 -5.871 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.220 -10.980 -5.158 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.054 -10.375 -3.835 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.339 -9.316 -3.726 1.00 0.00 H new ATOM 182 N ASN A 12 -1.751 -9.599 -7.047 1.00 0.00 N ATOM 183 CA ASN A 12 -2.883 -9.986 -7.937 1.00 0.00 C ATOM 184 C ASN A 12 -4.027 -8.983 -7.759 1.00 0.00 C ATOM 185 O ASN A 12 -5.112 -9.156 -8.277 1.00 0.00 O ATOM 186 CB ASN A 12 -3.305 -11.378 -7.466 1.00 0.00 C ATOM 187 CG ASN A 12 -4.104 -12.071 -8.571 1.00 0.00 C ATOM 188 OD1 ASN A 12 -3.812 -13.301 -8.897 1.00 0.00 O flip ATOM 189 ND2 ASN A 12 -5.004 -11.488 -9.144 1.00 0.00 N flip ATOM 0 H ASN A 12 -1.859 -9.866 -6.069 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.611 -9.990 -8.992 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.425 -11.970 -7.213 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.908 -11.300 -6.561 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.232 -10.527 -8.890 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.531 -11.960 -9.879 1.00 0.00 H new ATOM 196 N ASP A 13 -3.781 -7.929 -7.024 1.00 0.00 N ATOM 197 CA ASP A 13 -4.830 -6.896 -6.793 1.00 0.00 C ATOM 198 C ASP A 13 -4.240 -5.769 -5.940 1.00 0.00 C ATOM 199 O ASP A 13 -4.793 -5.379 -4.930 1.00 0.00 O ATOM 200 CB ASP A 13 -5.947 -7.619 -6.039 1.00 0.00 C ATOM 201 CG ASP A 13 -7.199 -7.680 -6.917 1.00 0.00 C ATOM 202 OD1 ASP A 13 -7.993 -6.756 -6.846 1.00 0.00 O ATOM 203 OD2 ASP A 13 -7.342 -8.649 -7.644 1.00 0.00 O ATOM 0 H ASP A 13 -2.887 -7.740 -6.570 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.200 -6.452 -7.717 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.627 -8.626 -5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.168 -7.098 -5.108 1.00 0.00 H new ATOM 208 N ASP A 14 -3.109 -5.257 -6.341 1.00 0.00 N ATOM 209 CA ASP A 14 -2.450 -4.166 -5.563 1.00 0.00 C ATOM 210 C ASP A 14 -3.471 -3.123 -5.102 1.00 0.00 C ATOM 211 O ASP A 14 -4.551 -3.007 -5.646 1.00 0.00 O ATOM 212 CB ASP A 14 -1.448 -3.539 -6.534 1.00 0.00 C ATOM 213 CG ASP A 14 -0.424 -2.715 -5.752 1.00 0.00 C ATOM 214 OD1 ASP A 14 -0.832 -2.004 -4.846 1.00 0.00 O ATOM 215 OD2 ASP A 14 0.749 -2.807 -6.069 1.00 0.00 O ATOM 0 H ASP A 14 -2.608 -5.549 -7.180 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.971 -4.547 -4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.943 -4.318 -7.105 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.969 -2.905 -7.251 1.00 0.00 H new ATOM 220 N LYS A 15 -3.125 -2.363 -4.099 1.00 0.00 N ATOM 221 CA LYS A 15 -4.059 -1.316 -3.588 1.00 0.00 C ATOM 222 C LYS A 15 -3.273 -0.120 -3.040 1.00 0.00 C ATOM 223 O LYS A 15 -3.707 1.011 -3.135 1.00 0.00 O ATOM 224 CB LYS A 15 -4.848 -1.998 -2.470 1.00 0.00 C ATOM 225 CG LYS A 15 -5.971 -1.070 -2.001 1.00 0.00 C ATOM 226 CD LYS A 15 -7.324 -1.665 -2.394 1.00 0.00 C ATOM 227 CE LYS A 15 -8.404 -0.585 -2.304 1.00 0.00 C ATOM 228 NZ LYS A 15 -9.377 -1.100 -1.300 1.00 0.00 N ATOM 0 H LYS A 15 -2.232 -2.421 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.712 -0.931 -4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.265 -2.940 -2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.187 -2.237 -1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.920 -0.938 -0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.852 -0.083 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.277 -2.063 -3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.572 -2.497 -1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.982 0.370 -1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.882 -0.422 -3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.150 -0.414 -1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.766 -2.007 -1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.895 -1.239 -0.389 1.00 0.00 H new ATOM 242 N CYS A 16 -2.121 -0.359 -2.469 1.00 0.00 N ATOM 243 CA CYS A 16 -1.307 0.766 -1.917 1.00 0.00 C ATOM 244 C CYS A 16 -1.350 1.962 -2.872 1.00 0.00 C ATOM 245 O CYS A 16 -1.434 1.802 -4.073 1.00 0.00 O ATOM 246 CB CYS A 16 0.122 0.219 -1.818 1.00 0.00 C ATOM 247 SG CYS A 16 1.092 1.273 -0.708 1.00 0.00 S ATOM 0 H CYS A 16 -1.708 -1.285 -2.361 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.680 1.108 -0.952 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.107 -0.805 -1.444 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.582 0.191 -2.806 1.00 0.00 H new ATOM 252 N CYS A 17 -1.290 3.161 -2.352 1.00 0.00 N ATOM 253 CA CYS A 17 -1.323 4.351 -3.248 1.00 0.00 C ATOM 254 C CYS A 17 -0.251 4.201 -4.329 1.00 0.00 C ATOM 255 O CYS A 17 0.399 3.178 -4.425 1.00 0.00 O ATOM 256 CB CYS A 17 -1.024 5.550 -2.347 1.00 0.00 C ATOM 257 SG CYS A 17 -2.343 5.738 -1.123 1.00 0.00 S ATOM 0 H CYS A 17 -1.220 3.365 -1.355 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.282 4.469 -3.753 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.067 5.410 -1.845 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.940 6.456 -2.947 1.00 0.00 H new ATOM 262 N ARG A 18 -0.058 5.194 -5.149 1.00 0.00 N ATOM 263 CA ARG A 18 0.971 5.060 -6.216 1.00 0.00 C ATOM 264 C ARG A 18 2.187 5.976 -6.004 1.00 0.00 C ATOM 265 O ARG A 18 2.859 6.305 -6.961 1.00 0.00 O ATOM 266 CB ARG A 18 0.249 5.446 -7.501 1.00 0.00 C ATOM 267 CG ARG A 18 0.371 4.301 -8.501 1.00 0.00 C ATOM 268 CD ARG A 18 -0.363 3.074 -7.956 1.00 0.00 C ATOM 269 NE ARG A 18 -0.879 2.369 -9.160 1.00 0.00 N ATOM 270 CZ ARG A 18 -0.974 1.067 -9.163 1.00 0.00 C ATOM 271 NH1 ARG A 18 -1.739 0.468 -8.293 1.00 0.00 N ATOM 272 NH2 ARG A 18 -0.305 0.366 -10.037 1.00 0.00 N ATOM 0 H ARG A 18 -0.560 6.082 -5.129 1.00 0.00 H new ATOM 0 HA ARG A 18 1.374 4.047 -6.228 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.801 5.656 -7.295 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.680 6.357 -7.917 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.052 4.595 -9.462 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.421 4.064 -8.674 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.308 2.435 -7.382 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.175 3.364 -7.290 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.159 2.903 -9.983 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.263 1.017 -7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.814 -0.549 -8.295 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.292 0.835 -10.718 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.379 -0.651 -10.039 1.00 0.00 H new ATOM 286 N PRO A 19 2.471 6.353 -4.779 1.00 0.00 N ATOM 287 CA PRO A 19 3.651 7.209 -4.542 1.00 0.00 C ATOM 288 C PRO A 19 4.920 6.354 -4.603 1.00 0.00 C ATOM 289 O PRO A 19 5.718 6.342 -3.687 1.00 0.00 O ATOM 290 CB PRO A 19 3.429 7.757 -3.138 1.00 0.00 C ATOM 291 CG PRO A 19 2.553 6.752 -2.462 1.00 0.00 C ATOM 292 CD PRO A 19 1.756 6.048 -3.534 1.00 0.00 C ATOM 0 HA PRO A 19 3.769 8.004 -5.279 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.374 7.877 -2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.954 8.737 -3.168 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.154 6.037 -1.899 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.889 7.241 -1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.711 4.974 -3.355 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.728 6.409 -3.567 1.00 0.00 H new ATOM 300 N LYS A 20 5.101 5.632 -5.678 1.00 0.00 N ATOM 301 CA LYS A 20 6.308 4.765 -5.816 1.00 0.00 C ATOM 302 C LYS A 20 6.283 3.634 -4.780 1.00 0.00 C ATOM 303 O LYS A 20 7.294 3.292 -4.199 1.00 0.00 O ATOM 304 CB LYS A 20 7.506 5.690 -5.588 1.00 0.00 C ATOM 305 CG LYS A 20 8.186 5.976 -6.928 1.00 0.00 C ATOM 306 CD LYS A 20 9.664 5.598 -6.844 1.00 0.00 C ATOM 307 CE LYS A 20 10.330 5.831 -8.203 1.00 0.00 C ATOM 308 NZ LYS A 20 10.747 7.260 -8.184 1.00 0.00 N ATOM 0 H LYS A 20 4.460 5.606 -6.471 1.00 0.00 H new ATOM 0 HA LYS A 20 6.353 4.287 -6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.178 6.622 -5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.213 5.226 -4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.700 5.409 -7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.084 7.031 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.160 6.194 -6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.767 4.553 -6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.186 5.171 -8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.638 5.632 -9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.213 7.498 -9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.910 7.864 -8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.410 7.418 -7.399 1.00 0.00 H new ATOM 322 N LEU A 21 5.140 3.038 -4.556 1.00 0.00 N ATOM 323 CA LEU A 21 5.063 1.917 -3.570 1.00 0.00 C ATOM 324 C LEU A 21 4.712 0.615 -4.295 1.00 0.00 C ATOM 325 O LEU A 21 4.291 0.623 -5.435 1.00 0.00 O ATOM 326 CB LEU A 21 3.946 2.291 -2.595 1.00 0.00 C ATOM 327 CG LEU A 21 4.187 3.694 -2.036 1.00 0.00 C ATOM 328 CD1 LEU A 21 3.195 3.966 -0.901 1.00 0.00 C ATOM 329 CD2 LEU A 21 5.615 3.792 -1.495 1.00 0.00 C ATOM 0 H LEU A 21 4.259 3.278 -5.011 1.00 0.00 H new ATOM 0 HA LEU A 21 6.011 1.767 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.982 2.253 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.906 1.568 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 21 4.048 4.429 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.365 4.966 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.177 3.896 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.337 3.230 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.785 4.792 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.755 3.057 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.323 3.596 -2.300 1.00 0.00 H new ATOM 341 N LYS A 22 4.876 -0.503 -3.643 1.00 0.00 N ATOM 342 CA LYS A 22 4.549 -1.797 -4.294 1.00 0.00 C ATOM 343 C LYS A 22 4.382 -2.903 -3.247 1.00 0.00 C ATOM 344 O LYS A 22 5.172 -3.028 -2.332 1.00 0.00 O ATOM 345 CB LYS A 22 5.736 -2.090 -5.212 1.00 0.00 C ATOM 346 CG LYS A 22 5.277 -2.953 -6.390 1.00 0.00 C ATOM 347 CD LYS A 22 4.349 -2.137 -7.293 1.00 0.00 C ATOM 348 CE LYS A 22 5.090 -1.752 -8.576 1.00 0.00 C ATOM 349 NZ LYS A 22 5.776 -0.466 -8.256 1.00 0.00 N ATOM 0 H LYS A 22 5.223 -0.574 -2.686 1.00 0.00 H new ATOM 0 HA LYS A 22 3.610 -1.752 -4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.164 -1.157 -5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.520 -2.604 -4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.140 -3.300 -6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.758 -3.839 -6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.458 -2.717 -7.535 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.014 -1.240 -6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.807 -2.521 -8.863 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.399 -1.633 -9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.104 -0.019 -9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.112 0.171 -7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.591 -0.652 -7.637 1.00 0.00 H new ATOM 363 N CYS A 23 3.361 -3.708 -3.375 1.00 0.00 N ATOM 364 CA CYS A 23 3.145 -4.808 -2.388 1.00 0.00 C ATOM 365 C CYS A 23 4.472 -5.485 -2.034 1.00 0.00 C ATOM 366 O CYS A 23 5.360 -5.607 -2.854 1.00 0.00 O ATOM 367 CB CYS A 23 2.220 -5.807 -3.088 1.00 0.00 C ATOM 368 SG CYS A 23 1.877 -7.192 -1.974 1.00 0.00 S ATOM 0 H CYS A 23 2.667 -3.652 -4.120 1.00 0.00 H new ATOM 0 HA CYS A 23 2.718 -4.432 -1.458 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.289 -5.318 -3.375 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.685 -6.170 -4.004 1.00 0.00 H new ATOM 373 N SER A 24 4.605 -5.938 -0.816 1.00 0.00 N ATOM 374 CA SER A 24 5.862 -6.623 -0.398 1.00 0.00 C ATOM 375 C SER A 24 5.520 -7.942 0.300 1.00 0.00 C ATOM 376 O SER A 24 4.995 -7.956 1.399 1.00 0.00 O ATOM 377 CB SER A 24 6.542 -5.661 0.576 1.00 0.00 C ATOM 378 OG SER A 24 7.795 -5.255 0.037 1.00 0.00 O ATOM 0 H SER A 24 3.893 -5.862 -0.089 1.00 0.00 H new ATOM 0 HA SER A 24 6.508 -6.859 -1.243 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.908 -4.791 0.748 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.688 -6.145 1.541 1.00 0.00 H new ATOM 0 HG SER A 24 8.365 -4.912 0.757 1.00 0.00 H new ATOM 384 N LYS A 25 5.806 -9.048 -0.334 1.00 0.00 N ATOM 385 CA LYS A 25 5.492 -10.369 0.283 1.00 0.00 C ATOM 386 C LYS A 25 6.254 -10.541 1.598 1.00 0.00 C ATOM 387 O LYS A 25 5.789 -11.195 2.510 1.00 0.00 O ATOM 388 CB LYS A 25 5.953 -11.406 -0.739 1.00 0.00 C ATOM 389 CG LYS A 25 5.135 -12.687 -0.566 1.00 0.00 C ATOM 390 CD LYS A 25 5.716 -13.792 -1.450 1.00 0.00 C ATOM 391 CE LYS A 25 4.590 -14.451 -2.248 1.00 0.00 C ATOM 392 NZ LYS A 25 4.513 -13.675 -3.517 1.00 0.00 N ATOM 0 H LYS A 25 6.244 -9.093 -1.254 1.00 0.00 H new ATOM 0 HA LYS A 25 4.432 -10.468 0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.830 -11.017 -1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.014 -11.618 -0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.147 -12.999 0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.094 -12.504 -0.832 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.461 -13.376 -2.128 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.224 -14.535 -0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.805 -15.502 -2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.646 -14.413 -1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.761 -14.068 -4.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.300 -12.680 -3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.423 -13.735 -4.016 1.00 0.00 H new ATOM 406 N LEU A 26 7.420 -9.963 1.701 1.00 0.00 N ATOM 407 CA LEU A 26 8.207 -10.095 2.959 1.00 0.00 C ATOM 408 C LEU A 26 7.280 -9.947 4.166 1.00 0.00 C ATOM 409 O LEU A 26 7.440 -10.612 5.171 1.00 0.00 O ATOM 410 CB LEU A 26 9.218 -8.951 2.911 1.00 0.00 C ATOM 411 CG LEU A 26 10.410 -9.361 2.044 1.00 0.00 C ATOM 412 CD1 LEU A 26 11.224 -8.119 1.675 1.00 0.00 C ATOM 413 CD2 LEU A 26 11.293 -10.337 2.824 1.00 0.00 C ATOM 0 H LEU A 26 7.861 -9.406 0.969 1.00 0.00 H new ATOM 0 HA LEU A 26 8.697 -11.064 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.750 -8.054 2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.554 -8.706 3.918 1.00 0.00 H new ATOM 0 HG LEU A 26 10.051 -9.842 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.073 -8.411 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.594 -7.423 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.585 -7.637 2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.143 -10.631 2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.653 -9.855 3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.713 -11.222 3.087 1.00 0.00 H new ATOM 425 N PHE A 27 6.304 -9.087 4.069 1.00 0.00 N ATOM 426 CA PHE A 27 5.359 -8.901 5.205 1.00 0.00 C ATOM 427 C PHE A 27 3.921 -8.810 4.696 1.00 0.00 C ATOM 428 O PHE A 27 2.999 -8.597 5.458 1.00 0.00 O ATOM 429 CB PHE A 27 5.758 -7.584 5.852 1.00 0.00 C ATOM 430 CG PHE A 27 6.878 -7.824 6.832 1.00 0.00 C ATOM 431 CD1 PHE A 27 6.727 -8.777 7.845 1.00 0.00 C ATOM 432 CD2 PHE A 27 8.069 -7.096 6.728 1.00 0.00 C ATOM 433 CE1 PHE A 27 7.765 -9.003 8.754 1.00 0.00 C ATOM 434 CE2 PHE A 27 9.109 -7.322 7.638 1.00 0.00 C ATOM 435 CZ PHE A 27 8.957 -8.276 8.651 1.00 0.00 C ATOM 0 H PHE A 27 6.120 -8.505 3.252 1.00 0.00 H new ATOM 0 HA PHE A 27 5.405 -9.736 5.904 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.074 -6.873 5.089 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.902 -7.143 6.363 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.808 -9.339 7.925 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.186 -6.360 5.946 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.647 -9.739 9.536 1.00 0.00 H new ATOM 0 HE2 PHE A 27 10.028 -6.760 7.558 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.759 -8.451 9.353 1.00 0.00 H new ATOM 445 N LYS A 28 3.718 -8.968 3.416 1.00 0.00 N ATOM 446 CA LYS A 28 2.332 -8.890 2.860 1.00 0.00 C ATOM 447 C LYS A 28 1.849 -7.440 2.884 1.00 0.00 C ATOM 448 O LYS A 28 0.666 -7.166 2.827 1.00 0.00 O ATOM 449 CB LYS A 28 1.448 -9.755 3.775 1.00 0.00 C ATOM 450 CG LYS A 28 2.238 -10.954 4.312 1.00 0.00 C ATOM 451 CD LYS A 28 1.429 -12.236 4.106 1.00 0.00 C ATOM 452 CE LYS A 28 1.943 -12.967 2.864 1.00 0.00 C ATOM 453 NZ LYS A 28 1.104 -14.192 2.762 1.00 0.00 N ATOM 0 H LYS A 28 4.451 -9.148 2.729 1.00 0.00 H new ATOM 0 HA LYS A 28 2.294 -9.241 1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.078 -9.154 4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.576 -10.105 3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.196 -11.030 3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.454 -10.815 5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.516 -12.879 4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.372 -11.997 3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.846 -12.347 1.973 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.999 -13.219 2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.398 -14.746 1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.222 -14.766 3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.105 -13.921 2.661 1.00 0.00 H new ATOM 467 N LEU A 29 2.758 -6.508 2.968 1.00 0.00 N ATOM 468 CA LEU A 29 2.351 -5.073 2.995 1.00 0.00 C ATOM 469 C LEU A 29 2.982 -4.337 1.819 1.00 0.00 C ATOM 470 O LEU A 29 3.901 -4.825 1.197 1.00 0.00 O ATOM 471 CB LEU A 29 2.881 -4.514 4.320 1.00 0.00 C ATOM 472 CG LEU A 29 2.671 -5.540 5.438 1.00 0.00 C ATOM 473 CD1 LEU A 29 3.390 -5.073 6.703 1.00 0.00 C ATOM 474 CD2 LEU A 29 1.173 -5.676 5.727 1.00 0.00 C ATOM 0 H LEU A 29 3.763 -6.676 3.019 1.00 0.00 H new ATOM 0 HA LEU A 29 1.270 -4.953 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.941 -4.276 4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.366 -3.585 4.565 1.00 0.00 H new ATOM 0 HG LEU A 29 3.074 -6.504 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.240 -5.804 7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.456 -4.972 6.499 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.988 -4.109 7.015 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.021 -6.406 6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.773 -4.711 6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.657 -6.008 4.826 1.00 0.00 H new ATOM 486 N CYS A 30 2.499 -3.172 1.498 1.00 0.00 N ATOM 487 CA CYS A 30 3.079 -2.432 0.353 1.00 0.00 C ATOM 488 C CYS A 30 4.275 -1.588 0.800 1.00 0.00 C ATOM 489 O CYS A 30 4.194 -0.805 1.723 1.00 0.00 O ATOM 490 CB CYS A 30 1.930 -1.570 -0.189 1.00 0.00 C ATOM 491 SG CYS A 30 1.805 0.005 0.696 1.00 0.00 S ATOM 0 H CYS A 30 1.731 -2.704 1.978 1.00 0.00 H new ATOM 0 HA CYS A 30 3.467 -3.097 -0.418 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.086 -1.380 -1.251 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.991 -2.115 -0.097 1.00 0.00 H new ATOM 496 N ASN A 31 5.388 -1.753 0.142 1.00 0.00 N ATOM 497 CA ASN A 31 6.601 -0.970 0.510 1.00 0.00 C ATOM 498 C ASN A 31 6.842 0.116 -0.540 1.00 0.00 C ATOM 499 O ASN A 31 5.916 0.723 -1.038 1.00 0.00 O ATOM 500 CB ASN A 31 7.743 -1.989 0.500 1.00 0.00 C ATOM 501 CG ASN A 31 8.809 -1.578 1.517 1.00 0.00 C ATOM 502 OD1 ASN A 31 8.912 -0.326 1.867 1.00 0.00 O flip ATOM 503 ND2 ASN A 31 9.559 -2.406 1.997 1.00 0.00 N flip ATOM 0 H ASN A 31 5.511 -2.399 -0.638 1.00 0.00 H new ATOM 0 HA ASN A 31 6.509 -0.475 1.477 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.360 -2.981 0.740 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.181 -2.049 -0.496 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.479 -3.386 1.724 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.268 -2.121 2.673 1.00 0.00 H new ATOM 510 N PHE A 32 8.073 0.356 -0.894 1.00 0.00 N ATOM 511 CA PHE A 32 8.354 1.392 -1.925 1.00 0.00 C ATOM 512 C PHE A 32 8.259 0.762 -3.316 1.00 0.00 C ATOM 513 O PHE A 32 7.673 -0.288 -3.489 1.00 0.00 O ATOM 514 CB PHE A 32 9.779 1.868 -1.638 1.00 0.00 C ATOM 515 CG PHE A 32 9.734 3.256 -1.044 1.00 0.00 C ATOM 516 CD1 PHE A 32 9.034 3.487 0.146 1.00 0.00 C ATOM 517 CD2 PHE A 32 10.393 4.314 -1.684 1.00 0.00 C ATOM 518 CE1 PHE A 32 8.993 4.773 0.697 1.00 0.00 C ATOM 519 CE2 PHE A 32 10.351 5.600 -1.133 1.00 0.00 C ATOM 520 CZ PHE A 32 9.651 5.830 0.056 1.00 0.00 C ATOM 0 H PHE A 32 8.893 -0.118 -0.516 1.00 0.00 H new ATOM 0 HA PHE A 32 7.646 2.220 -1.895 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.272 1.182 -0.949 1.00 0.00 H new ATOM 0 HB3 PHE A 32 10.365 1.873 -2.557 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.525 2.672 0.639 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.933 4.137 -2.602 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.454 4.950 1.616 1.00 0.00 H new ATOM 0 HE2 PHE A 32 10.859 6.415 -1.626 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.618 6.823 0.480 1.00 0.00 H new ATOM 530 N SER A 33 8.831 1.383 -4.308 1.00 0.00 N ATOM 531 CA SER A 33 8.766 0.801 -5.679 1.00 0.00 C ATOM 532 C SER A 33 9.747 -0.368 -5.797 1.00 0.00 C ATOM 533 O SER A 33 10.585 -0.403 -6.677 1.00 0.00 O ATOM 534 CB SER A 33 9.169 1.936 -6.615 1.00 0.00 C ATOM 535 OG SER A 33 8.112 2.184 -7.532 1.00 0.00 O ATOM 0 H SER A 33 9.339 2.264 -4.231 1.00 0.00 H new ATOM 0 HA SER A 33 7.775 0.414 -5.918 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.387 2.837 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.079 1.673 -7.154 1.00 0.00 H new ATOM 0 HG SER A 33 8.366 2.914 -8.134 1.00 0.00 H new ATOM 541 N PHE A 34 9.649 -1.325 -4.915 1.00 0.00 N ATOM 542 CA PHE A 34 10.576 -2.491 -4.972 1.00 0.00 C ATOM 543 C PHE A 34 9.964 -3.689 -4.240 1.00 0.00 C ATOM 544 O PHE A 34 10.294 -3.883 -3.071 1.00 0.00 O ATOM 545 CB PHE A 34 11.845 -2.018 -4.261 1.00 0.00 C ATOM 546 CG PHE A 34 13.028 -2.813 -4.759 1.00 0.00 C ATOM 547 CD1 PHE A 34 13.340 -2.823 -6.124 1.00 0.00 C ATOM 548 CD2 PHE A 34 13.813 -3.538 -3.856 1.00 0.00 C ATOM 549 CE1 PHE A 34 14.438 -3.559 -6.584 1.00 0.00 C ATOM 550 CE2 PHE A 34 14.911 -4.273 -4.316 1.00 0.00 C ATOM 551 CZ PHE A 34 15.224 -4.285 -5.681 1.00 0.00 C ATOM 0 H PHE A 34 8.967 -1.350 -4.157 1.00 0.00 H new ATOM 0 HA PHE A 34 10.776 -2.813 -5.994 1.00 0.00 H new ATOM 0 HB2 PHE A 34 12.004 -0.956 -4.446 1.00 0.00 H new ATOM 0 HB3 PHE A 34 11.738 -2.141 -3.183 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.734 -2.263 -6.821 1.00 0.00 H new ATOM 0 HD2 PHE A 34 13.571 -3.530 -2.803 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.679 -3.567 -7.637 1.00 0.00 H new ATOM 0 HE2 PHE A 34 15.517 -4.831 -3.618 1.00 0.00 H new ATOM 0 HZ PHE A 34 16.071 -4.854 -6.037 1.00 0.00 H new HETATM 561 N NH2 A 35 9.079 -4.488 -4.934 1.00 0.00 N TER 564 NH2 A 35