USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 267 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.606 K(o=-0.61,f=-1.8) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -55:sc= -0.3 USER MOD Single : A 22 SER OG : rot 180:sc= -0.755 USER MOD Single : A 24 LYS NZ :NH3+ -116:sc= 0.16 (180deg=-1.48!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -140:sc= -0.0581 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.93! C(o=-3.9!,f=-5.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.888 -0.363 -0.661 1.00 0.00 N ATOM 2 CA GLY A 1 1.989 -1.005 -1.355 1.00 0.00 C ATOM 3 C GLY A 1 3.189 -0.092 -1.510 1.00 0.00 C ATOM 4 O GLY A 1 3.092 0.975 -2.118 1.00 0.00 O ATOM 0 H1 GLY A 1 0.093 -1.029 -0.581 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.197 -0.076 0.290 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.584 0.477 -1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.286 -1.900 -0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.654 -1.329 -2.340 1.00 0.00 H new ATOM 8 N CYS A 2 4.323 -0.509 -0.957 1.00 0.00 N ATOM 9 CA CYS A 2 5.547 0.280 -1.034 1.00 0.00 C ATOM 10 C CYS A 2 6.750 -0.611 -1.329 1.00 0.00 C ATOM 11 O CYS A 2 6.650 -1.838 -1.294 1.00 0.00 O ATOM 12 CB CYS A 2 5.770 1.042 0.274 1.00 0.00 C ATOM 13 SG CYS A 2 5.728 -0.008 1.762 1.00 0.00 S ATOM 0 H CYS A 2 4.420 -1.389 -0.451 1.00 0.00 H new ATOM 0 HA CYS A 2 5.439 0.995 -1.849 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.734 1.549 0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.007 1.815 0.366 1.00 0.00 H new ATOM 18 N ILE A 3 7.886 0.015 -1.618 1.00 0.00 N ATOM 19 CA ILE A 3 9.108 -0.721 -1.917 1.00 0.00 C ATOM 20 C ILE A 3 9.920 -0.976 -0.652 1.00 0.00 C ATOM 21 O ILE A 3 10.387 -0.040 -0.003 1.00 0.00 O ATOM 22 CB ILE A 3 9.985 0.034 -2.933 1.00 0.00 C ATOM 23 CG1 ILE A 3 9.171 0.387 -4.180 1.00 0.00 C ATOM 24 CG2 ILE A 3 11.201 -0.800 -3.306 1.00 0.00 C ATOM 25 CD1 ILE A 3 9.034 1.876 -4.411 1.00 0.00 C ATOM 0 H ILE A 3 7.985 1.030 -1.651 1.00 0.00 H new ATOM 0 HA ILE A 3 8.804 -1.675 -2.349 1.00 0.00 H new ATOM 0 HB ILE A 3 10.331 0.960 -2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.643 -0.066 -5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.177 -0.052 -4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 3 11.811 -0.253 -4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.790 -1.005 -2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.875 -1.741 -3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.445 2.052 -5.311 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.535 2.332 -3.556 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.023 2.318 -4.532 1.00 0.00 H new ATOM 37 N ALA A 4 10.085 -2.249 -0.308 1.00 0.00 N ATOM 38 CA ALA A 4 10.844 -2.627 0.878 1.00 0.00 C ATOM 39 C ALA A 4 12.344 -2.544 0.619 1.00 0.00 C ATOM 40 O ALA A 4 12.781 -2.406 -0.524 1.00 0.00 O ATOM 41 CB ALA A 4 10.460 -4.030 1.324 1.00 0.00 C ATOM 0 H ALA A 4 9.704 -3.036 -0.833 1.00 0.00 H new ATOM 0 HA ALA A 4 10.600 -1.924 1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.034 -4.300 2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.396 -4.059 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.675 -4.738 0.523 1.00 0.00 H new ATOM 47 N LYS A 5 13.130 -2.629 1.687 1.00 0.00 N ATOM 48 CA LYS A 5 14.582 -2.564 1.576 1.00 0.00 C ATOM 49 C LYS A 5 15.142 -3.860 0.999 1.00 0.00 C ATOM 50 O LYS A 5 15.833 -4.609 1.688 1.00 0.00 O ATOM 51 CB LYS A 5 15.207 -2.291 2.946 1.00 0.00 C ATOM 52 CG LYS A 5 14.831 -3.317 4.001 1.00 0.00 C ATOM 53 CD LYS A 5 14.802 -2.702 5.391 1.00 0.00 C ATOM 54 CE LYS A 5 13.470 -2.949 6.082 1.00 0.00 C ATOM 55 NZ LYS A 5 13.649 -3.355 7.503 1.00 0.00 N ATOM 0 H LYS A 5 12.785 -2.743 2.640 1.00 0.00 H new ATOM 0 HA LYS A 5 14.834 -1.747 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.292 -2.269 2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.899 -1.302 3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.853 -3.738 3.768 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.546 -4.140 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.608 -3.121 5.993 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.983 -1.629 5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.864 -2.044 6.037 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.923 -3.726 5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.718 -3.514 7.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.206 -4.232 7.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.149 -2.603 8.019 1.00 0.00 H new ATOM 69 N ASN A 6 14.841 -4.116 -0.270 1.00 0.00 N ATOM 70 CA ASN A 6 15.316 -5.322 -0.939 1.00 0.00 C ATOM 71 C ASN A 6 14.808 -5.382 -2.377 1.00 0.00 C ATOM 72 O ASN A 6 15.451 -5.964 -3.251 1.00 0.00 O ATOM 73 CB ASN A 6 14.863 -6.567 -0.174 1.00 0.00 C ATOM 74 CG ASN A 6 15.238 -7.852 -0.888 1.00 0.00 C ATOM 75 OD1 ASN A 6 16.165 -7.878 -1.697 1.00 0.00 O ATOM 76 ND2 ASN A 6 14.515 -8.926 -0.591 1.00 0.00 N ATOM 0 H ASN A 6 14.271 -3.505 -0.855 1.00 0.00 H new ATOM 0 HA ASN A 6 16.405 -5.292 -0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 6 15.311 -6.563 0.820 1.00 0.00 H new ATOM 0 HB3 ASN A 6 13.782 -6.533 -0.037 1.00 0.00 H new ATOM 0 HD21 ASN A 6 14.720 -9.819 -1.040 1.00 0.00 H new ATOM 0 HD22 ASN A 6 13.755 -8.858 0.086 1.00 0.00 H new ATOM 83 N LYS A 7 13.650 -4.775 -2.615 1.00 0.00 N ATOM 84 CA LYS A 7 13.055 -4.756 -3.946 1.00 0.00 C ATOM 85 C LYS A 7 13.591 -3.587 -4.765 1.00 0.00 C ATOM 86 O LYS A 7 13.859 -2.513 -4.228 1.00 0.00 O ATOM 87 CB LYS A 7 11.531 -4.665 -3.844 1.00 0.00 C ATOM 88 CG LYS A 7 10.921 -5.696 -2.910 1.00 0.00 C ATOM 89 CD LYS A 7 9.961 -6.616 -3.646 1.00 0.00 C ATOM 90 CE LYS A 7 9.729 -7.909 -2.878 1.00 0.00 C ATOM 91 NZ LYS A 7 8.398 -7.926 -2.211 1.00 0.00 N ATOM 0 H LYS A 7 13.105 -4.289 -1.903 1.00 0.00 H new ATOM 0 HA LYS A 7 13.325 -5.684 -4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.257 -3.668 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.101 -4.788 -4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.714 -6.287 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.393 -5.189 -2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.010 -6.106 -3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.360 -6.845 -4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.804 -8.755 -3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.512 -8.033 -2.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.278 -8.823 -1.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.335 -7.133 -1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.650 -7.834 -2.927 1.00 0.00 H new ATOM 105 N GLU A 8 13.744 -3.804 -6.068 1.00 0.00 N ATOM 106 CA GLU A 8 14.248 -2.766 -6.960 1.00 0.00 C ATOM 107 C GLU A 8 13.442 -1.480 -6.809 1.00 0.00 C ATOM 108 O GLU A 8 12.288 -1.504 -6.380 1.00 0.00 O ATOM 109 CB GLU A 8 14.199 -3.244 -8.413 1.00 0.00 C ATOM 110 CG GLU A 8 12.810 -3.185 -9.027 1.00 0.00 C ATOM 111 CD GLU A 8 12.755 -3.812 -10.406 1.00 0.00 C ATOM 112 OE1 GLU A 8 13.556 -3.409 -11.275 1.00 0.00 O ATOM 113 OE2 GLU A 8 11.910 -4.708 -10.616 1.00 0.00 O ATOM 0 H GLU A 8 13.527 -4.688 -6.529 1.00 0.00 H new ATOM 0 HA GLU A 8 15.283 -2.559 -6.687 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.877 -2.634 -9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.565 -4.269 -8.462 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.105 -3.696 -8.371 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.489 -2.145 -9.092 1.00 0.00 H new ATOM 120 N CYS A 9 14.058 -0.357 -7.164 1.00 0.00 N ATOM 121 CA CYS A 9 13.400 0.940 -7.068 1.00 0.00 C ATOM 122 C CYS A 9 13.920 1.895 -8.138 1.00 0.00 C ATOM 123 O CYS A 9 15.107 1.891 -8.464 1.00 0.00 O ATOM 124 CB CYS A 9 13.619 1.545 -5.679 1.00 0.00 C ATOM 125 SG CYS A 9 15.371 1.709 -5.208 1.00 0.00 S ATOM 0 H CYS A 9 15.013 -0.320 -7.521 1.00 0.00 H new ATOM 0 HA CYS A 9 12.332 0.790 -7.228 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.151 2.529 -5.645 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.112 0.925 -4.940 1.00 0.00 H new ATOM 130 N ALA A 10 13.023 2.712 -8.681 1.00 0.00 N ATOM 131 CA ALA A 10 13.392 3.673 -9.713 1.00 0.00 C ATOM 132 C ALA A 10 13.259 5.104 -9.203 1.00 0.00 C ATOM 133 O ALA A 10 12.348 5.417 -8.435 1.00 0.00 O ATOM 134 CB ALA A 10 12.534 3.471 -10.953 1.00 0.00 C ATOM 0 H ALA A 10 12.036 2.727 -8.423 1.00 0.00 H new ATOM 0 HA ALA A 10 14.436 3.504 -9.976 1.00 0.00 H new ATOM 0 HB1 ALA A 10 12.820 4.195 -11.716 1.00 0.00 H new ATOM 0 HB2 ALA A 10 12.682 2.462 -11.337 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.484 3.611 -10.696 1.00 0.00 H new ATOM 140 N TRP A 11 14.172 5.967 -9.632 1.00 0.00 N ATOM 141 CA TRP A 11 14.156 7.366 -9.217 1.00 0.00 C ATOM 142 C TRP A 11 12.889 8.063 -9.700 1.00 0.00 C ATOM 143 O TRP A 11 12.549 9.149 -9.231 1.00 0.00 O ATOM 144 CB TRP A 11 15.389 8.093 -9.755 1.00 0.00 C ATOM 145 CG TRP A 11 16.598 7.938 -8.882 1.00 0.00 C ATOM 146 CD1 TRP A 11 16.765 7.043 -7.865 1.00 0.00 C ATOM 147 CD2 TRP A 11 17.806 8.703 -8.949 1.00 0.00 C ATOM 148 NE1 TRP A 11 18.004 7.205 -7.295 1.00 0.00 N ATOM 149 CE2 TRP A 11 18.663 8.216 -7.942 1.00 0.00 C ATOM 150 CE3 TRP A 11 18.249 9.750 -9.761 1.00 0.00 C ATOM 151 CZ2 TRP A 11 19.934 8.743 -7.728 1.00 0.00 C ATOM 152 CZ3 TRP A 11 19.510 10.272 -9.548 1.00 0.00 C ATOM 153 CH2 TRP A 11 20.341 9.768 -8.539 1.00 0.00 C ATOM 0 H TRP A 11 14.933 5.724 -10.267 1.00 0.00 H new ATOM 0 HA TRP A 11 14.172 7.396 -8.128 1.00 0.00 H new ATOM 0 HB2 TRP A 11 15.618 7.716 -10.752 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.159 9.153 -9.861 1.00 0.00 H new ATOM 0 HD1 TRP A 11 16.031 6.315 -7.554 1.00 0.00 H new ATOM 0 HE1 TRP A 11 18.374 6.660 -6.516 1.00 0.00 H new ATOM 0 HE3 TRP A 11 17.616 10.145 -10.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 20.576 8.357 -6.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 19.861 11.082 -10.170 1.00 0.00 H new ATOM 0 HH2 TRP A 11 21.322 10.197 -8.398 1.00 0.00 H new ATOM 164 N PHE A 12 12.193 7.431 -10.640 1.00 0.00 N ATOM 165 CA PHE A 12 10.963 7.992 -11.187 1.00 0.00 C ATOM 166 C PHE A 12 9.865 6.934 -11.254 1.00 0.00 C ATOM 167 O PHE A 12 8.958 7.016 -12.082 1.00 0.00 O ATOM 168 CB PHE A 12 11.216 8.569 -12.581 1.00 0.00 C ATOM 169 CG PHE A 12 10.363 9.763 -12.900 1.00 0.00 C ATOM 170 CD1 PHE A 12 10.683 11.014 -12.396 1.00 0.00 C ATOM 171 CD2 PHE A 12 9.242 9.636 -13.703 1.00 0.00 C ATOM 172 CE1 PHE A 12 9.900 12.115 -12.687 1.00 0.00 C ATOM 173 CE2 PHE A 12 8.456 10.734 -13.998 1.00 0.00 C ATOM 174 CZ PHE A 12 8.785 11.975 -13.489 1.00 0.00 C ATOM 0 H PHE A 12 12.460 6.531 -11.038 1.00 0.00 H new ATOM 0 HA PHE A 12 10.633 8.792 -10.525 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.266 8.850 -12.664 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.034 7.793 -13.325 1.00 0.00 H new ATOM 0 HD1 PHE A 12 11.554 11.130 -11.769 1.00 0.00 H new ATOM 0 HD2 PHE A 12 8.979 8.668 -14.103 1.00 0.00 H new ATOM 0 HE1 PHE A 12 10.160 13.084 -12.287 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.585 10.622 -14.626 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.172 12.834 -13.718 1.00 0.00 H new ATOM 184 N SER A 13 9.956 5.940 -10.376 1.00 0.00 N ATOM 185 CA SER A 13 8.974 4.863 -10.337 1.00 0.00 C ATOM 186 C SER A 13 7.605 5.390 -9.917 1.00 0.00 C ATOM 187 O SER A 13 6.593 4.706 -10.063 1.00 0.00 O ATOM 188 CB SER A 13 9.428 3.765 -9.373 1.00 0.00 C ATOM 189 OG SER A 13 8.955 4.012 -8.060 1.00 0.00 O ATOM 0 H SER A 13 10.699 5.858 -9.682 1.00 0.00 H new ATOM 0 HA SER A 13 8.891 4.445 -11.340 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.062 2.798 -9.719 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.517 3.710 -9.366 1.00 0.00 H new ATOM 0 HG SER A 13 9.235 4.907 -7.774 1.00 0.00 H new ATOM 195 N GLY A 14 7.583 6.613 -9.395 1.00 0.00 N ATOM 196 CA GLY A 14 6.335 7.212 -8.961 1.00 0.00 C ATOM 197 C GLY A 14 6.046 6.953 -7.496 1.00 0.00 C ATOM 198 O GLY A 14 5.420 7.774 -6.827 1.00 0.00 O ATOM 0 H GLY A 14 8.408 7.199 -9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.371 8.287 -9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.517 6.818 -9.565 1.00 0.00 H new ATOM 202 N GLU A 15 6.502 5.809 -6.997 1.00 0.00 N ATOM 203 CA GLU A 15 6.285 5.444 -5.602 1.00 0.00 C ATOM 204 C GLU A 15 7.572 5.595 -4.795 1.00 0.00 C ATOM 205 O GLU A 15 8.619 5.948 -5.337 1.00 0.00 O ATOM 206 CB GLU A 15 5.773 4.006 -5.501 1.00 0.00 C ATOM 207 CG GLU A 15 6.573 3.015 -6.329 1.00 0.00 C ATOM 208 CD GLU A 15 6.339 1.578 -5.906 1.00 0.00 C ATOM 209 OE1 GLU A 15 6.002 1.355 -4.724 1.00 0.00 O ATOM 210 OE2 GLU A 15 6.492 0.676 -6.756 1.00 0.00 O ATOM 0 H GLU A 15 7.024 5.119 -7.537 1.00 0.00 H new ATOM 0 HA GLU A 15 5.535 6.118 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.794 3.694 -4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.732 3.977 -5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.308 3.128 -7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.634 3.247 -6.241 1.00 0.00 H new ATOM 217 N TRP A 16 7.483 5.325 -3.497 1.00 0.00 N ATOM 218 CA TRP A 16 8.640 5.431 -2.615 1.00 0.00 C ATOM 219 C TRP A 16 8.831 4.149 -1.812 1.00 0.00 C ATOM 220 O TRP A 16 8.005 3.238 -1.873 1.00 0.00 O ATOM 221 CB TRP A 16 8.476 6.621 -1.668 1.00 0.00 C ATOM 222 CG TRP A 16 8.494 7.945 -2.370 1.00 0.00 C ATOM 223 CD1 TRP A 16 7.666 8.350 -3.377 1.00 0.00 C ATOM 224 CD2 TRP A 16 9.386 9.037 -2.118 1.00 0.00 C ATOM 225 NE1 TRP A 16 7.989 9.628 -3.766 1.00 0.00 N ATOM 226 CE2 TRP A 16 9.040 10.071 -3.008 1.00 0.00 C ATOM 227 CE3 TRP A 16 10.442 9.241 -1.225 1.00 0.00 C ATOM 228 CZ2 TRP A 16 9.714 11.290 -3.031 1.00 0.00 C ATOM 229 CZ3 TRP A 16 11.109 10.451 -1.249 1.00 0.00 C ATOM 230 CH2 TRP A 16 10.743 11.463 -2.146 1.00 0.00 C ATOM 0 H TRP A 16 6.623 5.032 -3.033 1.00 0.00 H new ATOM 0 HA TRP A 16 9.525 5.586 -3.233 1.00 0.00 H new ATOM 0 HB2 TRP A 16 7.536 6.518 -1.126 1.00 0.00 H new ATOM 0 HB3 TRP A 16 9.275 6.600 -0.927 1.00 0.00 H new ATOM 0 HD1 TRP A 16 6.874 7.754 -3.805 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.522 10.160 -4.500 1.00 0.00 H new ATOM 0 HE3 TRP A 16 10.731 8.467 -0.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 9.434 12.071 -3.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 11.927 10.620 -0.564 1.00 0.00 H new ATOM 0 HH2 TRP A 16 11.284 12.398 -2.139 1.00 0.00 H new ATOM 241 N CYS A 17 9.924 4.085 -1.059 1.00 0.00 N ATOM 242 CA CYS A 17 10.224 2.914 -0.243 1.00 0.00 C ATOM 243 C CYS A 17 9.429 2.941 1.059 1.00 0.00 C ATOM 244 O CYS A 17 8.945 3.991 1.483 1.00 0.00 O ATOM 245 CB CYS A 17 11.722 2.849 0.061 1.00 0.00 C ATOM 246 SG CYS A 17 12.787 3.254 -1.359 1.00 0.00 S ATOM 0 H CYS A 17 10.617 4.831 -0.997 1.00 0.00 H new ATOM 0 HA CYS A 17 9.936 2.026 -0.805 1.00 0.00 H new ATOM 0 HB2 CYS A 17 11.946 3.536 0.877 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.968 1.846 0.411 1.00 0.00 H new ATOM 251 N CYS A 18 9.300 1.779 1.690 1.00 0.00 N ATOM 252 CA CYS A 18 8.564 1.667 2.944 1.00 0.00 C ATOM 253 C CYS A 18 9.275 2.426 4.061 1.00 0.00 C ATOM 254 O CYS A 18 10.424 2.841 3.911 1.00 0.00 O ATOM 255 CB CYS A 18 8.402 0.196 3.335 1.00 0.00 C ATOM 256 SG CYS A 18 7.517 -0.808 2.100 1.00 0.00 S ATOM 0 H CYS A 18 9.696 0.901 1.354 1.00 0.00 H new ATOM 0 HA CYS A 18 7.578 2.108 2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.389 -0.236 3.499 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.868 0.140 4.284 1.00 0.00 H new ATOM 261 N GLY A 19 8.583 2.604 5.182 1.00 0.00 N ATOM 262 CA GLY A 19 9.163 3.312 6.308 1.00 0.00 C ATOM 263 C GLY A 19 9.690 4.680 5.923 1.00 0.00 C ATOM 264 O GLY A 19 8.916 5.606 5.682 1.00 0.00 O ATOM 0 H GLY A 19 7.631 2.270 5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.412 3.422 7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.975 2.718 6.728 1.00 0.00 H new ATOM 268 N ALA A 20 11.012 4.809 5.866 1.00 0.00 N ATOM 269 CA ALA A 20 11.641 6.074 5.507 1.00 0.00 C ATOM 270 C ALA A 20 12.986 5.844 4.827 1.00 0.00 C ATOM 271 O ALA A 20 13.951 6.569 5.074 1.00 0.00 O ATOM 272 CB ALA A 20 11.814 6.946 6.742 1.00 0.00 C ATOM 0 H ALA A 20 11.668 4.053 6.064 1.00 0.00 H new ATOM 0 HA ALA A 20 10.989 6.588 4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.285 7.888 6.460 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.839 7.147 7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.443 6.429 7.467 1.00 0.00 H new ATOM 278 N LEU A 21 13.045 4.831 3.969 1.00 0.00 N ATOM 279 CA LEU A 21 14.273 4.505 3.253 1.00 0.00 C ATOM 280 C LEU A 21 14.261 5.104 1.851 1.00 0.00 C ATOM 281 O LEU A 21 13.200 5.396 1.299 1.00 0.00 O ATOM 282 CB LEU A 21 14.451 2.988 3.170 1.00 0.00 C ATOM 283 CG LEU A 21 14.129 2.203 4.443 1.00 0.00 C ATOM 284 CD1 LEU A 21 13.629 0.809 4.098 1.00 0.00 C ATOM 285 CD2 LEU A 21 15.352 2.126 5.345 1.00 0.00 C ATOM 0 H LEU A 21 12.256 4.221 3.752 1.00 0.00 H new ATOM 0 HA LEU A 21 15.110 4.933 3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.819 2.612 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.483 2.778 2.889 1.00 0.00 H new ATOM 0 HG LEU A 21 13.339 2.727 4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.405 0.265 5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.726 0.886 3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.397 0.275 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.105 1.564 6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.163 1.625 4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.665 3.133 5.620 1.00 0.00 H new ATOM 297 N SER A 22 15.448 5.283 1.279 1.00 0.00 N ATOM 298 CA SER A 22 15.574 5.850 -0.059 1.00 0.00 C ATOM 299 C SER A 22 16.074 4.801 -1.047 1.00 0.00 C ATOM 300 O SER A 22 16.329 3.654 -0.678 1.00 0.00 O ATOM 301 CB SER A 22 16.527 7.046 -0.041 1.00 0.00 C ATOM 302 OG SER A 22 17.499 6.909 0.981 1.00 0.00 O ATOM 0 H SER A 22 16.336 5.044 1.721 1.00 0.00 H new ATOM 0 HA SER A 22 14.588 6.186 -0.380 1.00 0.00 H new ATOM 0 HB2 SER A 22 17.022 7.135 -1.008 1.00 0.00 H new ATOM 0 HB3 SER A 22 15.960 7.964 0.113 1.00 0.00 H new ATOM 0 HG SER A 22 18.097 7.685 0.970 1.00 0.00 H new ATOM 308 N CYS A 23 16.213 5.203 -2.306 1.00 0.00 N ATOM 309 CA CYS A 23 16.682 4.300 -3.351 1.00 0.00 C ATOM 310 C CYS A 23 18.190 4.430 -3.546 1.00 0.00 C ATOM 311 O CYS A 23 18.689 5.493 -3.916 1.00 0.00 O ATOM 312 CB CYS A 23 15.959 4.590 -4.667 1.00 0.00 C ATOM 313 SG CYS A 23 16.202 3.315 -5.946 1.00 0.00 S ATOM 0 H CYS A 23 16.007 6.149 -2.628 1.00 0.00 H new ATOM 0 HA CYS A 23 16.461 3.279 -3.040 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.892 4.691 -4.468 1.00 0.00 H new ATOM 0 HB3 CYS A 23 16.303 5.549 -5.055 1.00 0.00 H new ATOM 318 N LYS A 24 18.909 3.342 -3.295 1.00 0.00 N ATOM 319 CA LYS A 24 20.360 3.333 -3.444 1.00 0.00 C ATOM 320 C LYS A 24 20.820 2.096 -4.209 1.00 0.00 C ATOM 321 O LYS A 24 20.066 1.136 -4.368 1.00 0.00 O ATOM 322 CB LYS A 24 21.035 3.376 -2.071 1.00 0.00 C ATOM 323 CG LYS A 24 20.222 4.107 -1.017 1.00 0.00 C ATOM 324 CD LYS A 24 19.285 3.163 -0.281 1.00 0.00 C ATOM 325 CE LYS A 24 18.707 3.812 0.967 1.00 0.00 C ATOM 326 NZ LYS A 24 19.705 3.876 2.071 1.00 0.00 N ATOM 0 H LYS A 24 18.511 2.455 -2.987 1.00 0.00 H new ATOM 0 HA LYS A 24 20.647 4.218 -4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.219 2.356 -1.734 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.007 3.859 -2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 24 20.894 4.583 -0.303 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.643 4.901 -1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.474 2.863 -0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.823 2.256 -0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.365 4.819 0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.834 3.249 1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.380 3.292 2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.621 3.520 1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.812 4.861 2.386 1.00 0.00 H new ATOM 340 N TYR A 25 22.061 2.126 -4.681 1.00 0.00 N ATOM 341 CA TYR A 25 22.621 1.008 -5.431 1.00 0.00 C ATOM 342 C TYR A 25 23.107 -0.090 -4.489 1.00 0.00 C ATOM 343 O TYR A 25 23.807 0.178 -3.513 1.00 0.00 O ATOM 344 CB TYR A 25 23.776 1.485 -6.313 1.00 0.00 C ATOM 345 CG TYR A 25 24.444 0.373 -7.090 1.00 0.00 C ATOM 346 CD1 TYR A 25 25.501 -0.344 -6.543 1.00 0.00 C ATOM 347 CD2 TYR A 25 24.019 0.040 -8.370 1.00 0.00 C ATOM 348 CE1 TYR A 25 26.115 -1.361 -7.249 1.00 0.00 C ATOM 349 CE2 TYR A 25 24.626 -0.975 -9.083 1.00 0.00 C ATOM 350 CZ TYR A 25 25.674 -1.672 -8.518 1.00 0.00 C ATOM 351 OH TYR A 25 26.283 -2.685 -9.224 1.00 0.00 O ATOM 0 H TYR A 25 22.699 2.913 -4.558 1.00 0.00 H new ATOM 0 HA TYR A 25 21.834 0.598 -6.064 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.403 2.233 -7.013 1.00 0.00 H new ATOM 0 HB3 TYR A 25 24.520 1.978 -5.687 1.00 0.00 H new ATOM 0 HD1 TYR A 25 25.849 -0.102 -5.549 1.00 0.00 H new ATOM 0 HD2 TYR A 25 23.199 0.584 -8.815 1.00 0.00 H new ATOM 0 HE1 TYR A 25 26.935 -1.909 -6.809 1.00 0.00 H new ATOM 0 HE2 TYR A 25 24.282 -1.222 -10.077 1.00 0.00 H new ATOM 0 HH TYR A 25 25.853 -2.778 -10.100 1.00 0.00 H new ATOM 361 N SER A 26 22.730 -1.329 -4.791 1.00 0.00 N ATOM 362 CA SER A 26 23.123 -2.469 -3.972 1.00 0.00 C ATOM 363 C SER A 26 24.118 -3.355 -4.715 1.00 0.00 C ATOM 364 O SER A 26 23.731 -4.201 -5.521 1.00 0.00 O ATOM 365 CB SER A 26 21.893 -3.287 -3.574 1.00 0.00 C ATOM 366 OG SER A 26 21.340 -2.818 -2.356 1.00 0.00 O ATOM 0 H SER A 26 22.153 -1.568 -5.597 1.00 0.00 H new ATOM 0 HA SER A 26 23.604 -2.088 -3.071 1.00 0.00 H new ATOM 0 HB2 SER A 26 21.143 -3.229 -4.363 1.00 0.00 H new ATOM 0 HB3 SER A 26 22.168 -4.337 -3.472 1.00 0.00 H new ATOM 0 HG SER A 26 21.055 -3.581 -1.811 1.00 0.00 H new ATOM 372 N ILE A 27 25.402 -3.153 -4.437 1.00 0.00 N ATOM 373 CA ILE A 27 26.453 -3.934 -5.078 1.00 0.00 C ATOM 374 C ILE A 27 26.212 -5.429 -4.903 1.00 0.00 C ATOM 375 O ILE A 27 26.375 -6.210 -5.841 1.00 0.00 O ATOM 376 CB ILE A 27 27.841 -3.579 -4.513 1.00 0.00 C ATOM 377 CG1 ILE A 27 27.980 -2.064 -4.355 1.00 0.00 C ATOM 378 CG2 ILE A 27 28.936 -4.125 -5.417 1.00 0.00 C ATOM 379 CD1 ILE A 27 27.862 -1.593 -2.922 1.00 0.00 C ATOM 0 H ILE A 27 25.739 -2.456 -3.773 1.00 0.00 H new ATOM 0 HA ILE A 27 26.427 -3.687 -6.139 1.00 0.00 H new ATOM 0 HB ILE A 27 27.945 -4.039 -3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 27 28.946 -1.752 -4.753 1.00 0.00 H new ATOM 0 HG13 ILE A 27 27.214 -1.572 -4.955 1.00 0.00 H new ATOM 0 HG21 ILE A 27 29.911 -3.866 -5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 27 28.846 -5.209 -5.483 1.00 0.00 H new ATOM 0 HG23 ILE A 27 28.836 -3.691 -6.412 1.00 0.00 H new ATOM 0 HD11 ILE A 27 27.970 -0.509 -2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 27 26.886 -1.874 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 27 28.644 -2.056 -2.321 1.00 0.00 H new ATOM 391 N LYS A 28 25.821 -5.822 -3.695 1.00 0.00 N ATOM 392 CA LYS A 28 25.553 -7.224 -3.396 1.00 0.00 C ATOM 393 C LYS A 28 24.538 -7.805 -4.374 1.00 0.00 C ATOM 394 O LYS A 28 24.696 -8.928 -4.854 1.00 0.00 O ATOM 395 CB LYS A 28 25.038 -7.371 -1.962 1.00 0.00 C ATOM 396 CG LYS A 28 25.891 -6.650 -0.933 1.00 0.00 C ATOM 397 CD LYS A 28 25.239 -5.354 -0.478 1.00 0.00 C ATOM 398 CE LYS A 28 24.335 -5.578 0.725 1.00 0.00 C ATOM 399 NZ LYS A 28 23.567 -4.351 1.076 1.00 0.00 N ATOM 0 H LYS A 28 25.683 -5.189 -2.907 1.00 0.00 H new ATOM 0 HA LYS A 28 26.487 -7.777 -3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 28 24.019 -6.988 -1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.994 -8.430 -1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 28 26.051 -7.299 -0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 28 26.872 -6.436 -1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 28 26.010 -4.627 -0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 28 24.658 -4.930 -1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 28 23.642 -6.392 0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 28 24.937 -5.887 1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 22.963 -4.544 1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 24.228 -3.581 1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 22.973 -4.071 0.270 1.00 0.00 H new ATOM 413 N ARG A 29 23.496 -7.034 -4.666 1.00 0.00 N ATOM 414 CA ARG A 29 22.455 -7.473 -5.588 1.00 0.00 C ATOM 415 C ARG A 29 22.747 -6.993 -7.006 1.00 0.00 C ATOM 416 O ARG A 29 21.918 -7.138 -7.904 1.00 0.00 O ATOM 417 CB ARG A 29 21.089 -6.953 -5.133 1.00 0.00 C ATOM 418 CG ARG A 29 20.573 -7.621 -3.870 1.00 0.00 C ATOM 419 CD ARG A 29 19.128 -8.070 -4.028 1.00 0.00 C ATOM 420 NE ARG A 29 18.974 -9.055 -5.095 1.00 0.00 N ATOM 421 CZ ARG A 29 19.360 -10.321 -4.987 1.00 0.00 C ATOM 422 NH1 ARG A 29 19.920 -10.754 -3.866 1.00 0.00 N ATOM 423 NH2 ARG A 29 19.187 -11.158 -6.003 1.00 0.00 N ATOM 0 H ARG A 29 23.350 -6.102 -4.278 1.00 0.00 H new ATOM 0 HA ARG A 29 22.440 -8.563 -5.588 1.00 0.00 H new ATOM 0 HB2 ARG A 29 21.157 -5.878 -4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 29 20.367 -7.104 -5.935 1.00 0.00 H new ATOM 0 HG2 ARG A 29 21.198 -8.481 -3.630 1.00 0.00 H new ATOM 0 HG3 ARG A 29 20.650 -6.928 -3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 29 18.776 -8.496 -3.088 1.00 0.00 H new ATOM 0 HD3 ARG A 29 18.501 -7.204 -4.241 1.00 0.00 H new ATOM 0 HE ARG A 29 18.547 -8.754 -5.971 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.055 -10.114 -3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.215 -11.727 -3.786 1.00 0.00 H new ATOM 0 HH21 ARG A 29 18.757 -10.829 -6.867 1.00 0.00 H new ATOM 0 HH22 ARG A 29 19.484 -12.130 -5.919 1.00 0.00 H new ATOM 437 N ASN A 30 23.931 -6.421 -7.200 1.00 0.00 N ATOM 438 CA ASN A 30 24.333 -5.919 -8.509 1.00 0.00 C ATOM 439 C ASN A 30 23.177 -5.192 -9.191 1.00 0.00 C ATOM 440 O ASN A 30 23.018 -5.263 -10.410 1.00 0.00 O ATOM 441 CB ASN A 30 24.818 -7.071 -9.393 1.00 0.00 C ATOM 442 CG ASN A 30 23.739 -8.110 -9.632 1.00 0.00 C ATOM 443 OD1 ASN A 30 22.725 -7.831 -10.272 1.00 0.00 O ATOM 444 ND2 ASN A 30 23.955 -9.315 -9.118 1.00 0.00 N ATOM 0 H ASN A 30 24.629 -6.294 -6.467 1.00 0.00 H new ATOM 0 HA ASN A 30 25.150 -5.212 -8.365 1.00 0.00 H new ATOM 0 HB2 ASN A 30 25.155 -6.674 -10.351 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.680 -7.547 -8.925 1.00 0.00 H new ATOM 0 HD21 ASN A 30 23.265 -10.055 -9.247 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.811 -9.500 -8.595 1.00 0.00 H new ATOM 451 N LEU A 31 22.375 -4.493 -8.396 1.00 0.00 N ATOM 452 CA LEU A 31 21.234 -3.751 -8.922 1.00 0.00 C ATOM 453 C LEU A 31 20.913 -2.549 -8.039 1.00 0.00 C ATOM 454 O LEU A 31 21.683 -2.198 -7.145 1.00 0.00 O ATOM 455 CB LEU A 31 20.011 -4.664 -9.025 1.00 0.00 C ATOM 456 CG LEU A 31 20.125 -5.829 -10.010 1.00 0.00 C ATOM 457 CD1 LEU A 31 19.006 -6.833 -9.779 1.00 0.00 C ATOM 458 CD2 LEU A 31 20.100 -5.319 -11.444 1.00 0.00 C ATOM 0 H LEU A 31 22.493 -4.424 -7.385 1.00 0.00 H new ATOM 0 HA LEU A 31 21.494 -3.389 -9.917 1.00 0.00 H new ATOM 0 HB2 LEU A 31 19.801 -5.070 -8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 31 19.152 -4.057 -9.309 1.00 0.00 H new ATOM 0 HG LEU A 31 21.077 -6.332 -9.841 1.00 0.00 H new ATOM 0 HD11 LEU A 31 19.103 -7.655 -10.488 1.00 0.00 H new ATOM 0 HD12 LEU A 31 19.070 -7.221 -8.763 1.00 0.00 H new ATOM 0 HD13 LEU A 31 18.043 -6.343 -9.920 1.00 0.00 H new ATOM 0 HD21 LEU A 31 20.182 -6.161 -12.131 1.00 0.00 H new ATOM 0 HD22 LEU A 31 19.164 -4.792 -11.626 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.936 -4.638 -11.603 1.00 0.00 H new ATOM 470 N LYS A 32 19.769 -1.923 -8.295 1.00 0.00 N ATOM 471 CA LYS A 32 19.342 -0.763 -7.522 1.00 0.00 C ATOM 472 C LYS A 32 18.069 -1.069 -6.739 1.00 0.00 C ATOM 473 O LYS A 32 17.006 -1.280 -7.323 1.00 0.00 O ATOM 474 CB LYS A 32 19.109 0.434 -8.447 1.00 0.00 C ATOM 475 CG LYS A 32 20.309 0.776 -9.313 1.00 0.00 C ATOM 476 CD LYS A 32 20.219 0.113 -10.677 1.00 0.00 C ATOM 477 CE LYS A 32 20.325 1.132 -11.801 1.00 0.00 C ATOM 478 NZ LYS A 32 20.514 0.480 -13.126 1.00 0.00 N ATOM 0 H LYS A 32 19.121 -2.200 -9.032 1.00 0.00 H new ATOM 0 HA LYS A 32 20.133 -0.519 -6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.255 0.224 -9.091 1.00 0.00 H new ATOM 0 HB3 LYS A 32 18.847 1.303 -7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.374 1.857 -9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.223 0.457 -8.812 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.015 -0.625 -10.777 1.00 0.00 H new ATOM 0 HD3 LYS A 32 19.274 -0.424 -10.760 1.00 0.00 H new ATOM 0 HE2 LYS A 32 19.423 1.744 -11.823 1.00 0.00 H new ATOM 0 HE3 LYS A 32 21.161 1.804 -11.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 20.582 1.209 -13.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 21.388 -0.083 -13.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.704 -0.141 -13.326 1.00 0.00 H new ATOM 492 N ILE A 33 18.185 -1.090 -5.415 1.00 0.00 N ATOM 493 CA ILE A 33 17.043 -1.368 -4.553 1.00 0.00 C ATOM 494 C ILE A 33 17.011 -0.419 -3.360 1.00 0.00 C ATOM 495 O ILE A 33 17.943 0.356 -3.145 1.00 0.00 O ATOM 496 CB ILE A 33 17.065 -2.820 -4.040 1.00 0.00 C ATOM 497 CG1 ILE A 33 18.074 -2.965 -2.898 1.00 0.00 C ATOM 498 CG2 ILE A 33 17.398 -3.778 -5.174 1.00 0.00 C ATOM 499 CD1 ILE A 33 18.328 -4.400 -2.495 1.00 0.00 C ATOM 0 H ILE A 33 19.058 -0.918 -4.916 1.00 0.00 H new ATOM 0 HA ILE A 33 16.148 -1.219 -5.157 1.00 0.00 H new ATOM 0 HB ILE A 33 16.075 -3.070 -3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 33 19.017 -2.508 -3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 33 17.712 -2.411 -2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 33 17.410 -4.800 -4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.645 -3.690 -5.958 1.00 0.00 H new ATOM 0 HG23 ILE A 33 18.378 -3.531 -5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 33 19.053 -4.427 -1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 33 17.395 -4.856 -2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 33 18.720 -4.954 -3.348 1.00 0.00 H new ATOM 511 N CYS A 34 15.933 -0.486 -2.586 1.00 0.00 N ATOM 512 CA CYS A 34 15.779 0.365 -1.413 1.00 0.00 C ATOM 513 C CYS A 34 16.537 -0.210 -0.220 1.00 0.00 C ATOM 514 O CYS A 34 16.791 -1.413 -0.153 1.00 0.00 O ATOM 515 CB CYS A 34 14.298 0.524 -1.063 1.00 0.00 C ATOM 516 SG CYS A 34 13.369 1.578 -2.221 1.00 0.00 S ATOM 0 H CYS A 34 15.153 -1.122 -2.751 1.00 0.00 H new ATOM 0 HA CYS A 34 16.197 1.344 -1.648 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.835 -0.462 -1.035 1.00 0.00 H new ATOM 0 HB3 CYS A 34 14.216 0.944 -0.060 1.00 0.00 H new ATOM 521 N VAL A 35 16.895 0.658 0.721 1.00 0.00 N ATOM 522 CA VAL A 35 17.622 0.237 1.913 1.00 0.00 C ATOM 523 C VAL A 35 17.226 1.075 3.123 1.00 0.00 C ATOM 524 O VAL A 35 17.861 2.084 3.427 1.00 0.00 O ATOM 525 CB VAL A 35 19.145 0.341 1.707 1.00 0.00 C ATOM 526 CG1 VAL A 35 19.886 -0.333 2.852 1.00 0.00 C ATOM 527 CG2 VAL A 35 19.544 -0.268 0.371 1.00 0.00 C ATOM 0 H VAL A 35 16.693 1.657 0.681 1.00 0.00 H new ATOM 0 HA VAL A 35 17.357 -0.805 2.094 1.00 0.00 H new ATOM 0 HB VAL A 35 19.422 1.395 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 35 20.961 -0.249 2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.623 0.152 3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.607 -1.386 2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 35 20.623 -0.186 0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.255 -1.319 0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 35 19.040 0.264 -0.436 1.00 0.00 H new TER 537 VAL A 35