USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 264 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 ASN : amide:sc= -0.0205 X(o=-0.023,f=-0.16) USER MOD Set 1.2: A 7 LYS NZ :NH3+ -129:sc=-0.00283 (180deg=-0.133) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -82:sc= 0.666 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -106:sc= -0.553 (180deg=-2.89!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.95 K(o=-4,f=-4.9!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N CYS A 2 4.201 -0.131 -1.014 1.00 0.00 N ATOM 9 CA CYS A 2 5.471 0.585 -0.981 1.00 0.00 C ATOM 10 C CYS A 2 6.637 -0.362 -1.250 1.00 0.00 C ATOM 11 O CYS A 2 6.483 -1.583 -1.198 1.00 0.00 O ATOM 12 CB CYS A 2 5.659 1.270 0.373 1.00 0.00 C ATOM 13 SG CYS A 2 5.469 0.157 1.803 1.00 0.00 S ATOM 0 HA CYS A 2 5.453 1.342 -1.765 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.651 1.720 0.406 1.00 0.00 H new ATOM 0 HB3 CYS A 2 4.938 2.082 0.460 1.00 0.00 H new ATOM 18 N ILE A 3 7.802 0.209 -1.538 1.00 0.00 N ATOM 19 CA ILE A 3 8.993 -0.584 -1.813 1.00 0.00 C ATOM 20 C ILE A 3 9.783 -0.852 -0.537 1.00 0.00 C ATOM 21 O ILE A 3 10.258 0.076 0.118 1.00 0.00 O ATOM 22 CB ILE A 3 9.911 0.115 -2.834 1.00 0.00 C ATOM 23 CG1 ILE A 3 9.151 0.386 -4.134 1.00 0.00 C ATOM 24 CG2 ILE A 3 11.146 -0.731 -3.102 1.00 0.00 C ATOM 25 CD1 ILE A 3 9.352 1.786 -4.670 1.00 0.00 C ATOM 0 H ILE A 3 7.946 1.218 -1.587 1.00 0.00 H new ATOM 0 HA ILE A 3 8.651 -1.531 -2.231 1.00 0.00 H new ATOM 0 HB ILE A 3 10.232 1.070 -2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.470 -0.333 -4.889 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.087 0.219 -3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 3 11.785 -0.224 -3.825 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.696 -0.877 -2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.844 -1.699 -3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.784 1.907 -5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.006 2.511 -3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.411 1.950 -4.871 1.00 0.00 H new ATOM 37 N ALA A 4 9.920 -2.127 -0.189 1.00 0.00 N ATOM 38 CA ALA A 4 10.656 -2.518 1.007 1.00 0.00 C ATOM 39 C ALA A 4 12.161 -2.464 0.768 1.00 0.00 C ATOM 40 O ALA A 4 12.616 -2.364 -0.371 1.00 0.00 O ATOM 41 CB ALA A 4 10.240 -3.913 1.450 1.00 0.00 C ATOM 0 H ALA A 4 9.531 -2.907 -0.719 1.00 0.00 H new ATOM 0 HA ALA A 4 10.415 -1.810 1.800 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.797 -4.192 2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.173 -3.922 1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.452 -4.626 0.653 1.00 0.00 H new ATOM 47 N LYS A 5 12.930 -2.529 1.850 1.00 0.00 N ATOM 48 CA LYS A 5 14.384 -2.487 1.760 1.00 0.00 C ATOM 49 C LYS A 5 14.933 -3.802 1.216 1.00 0.00 C ATOM 50 O LYS A 5 15.591 -4.555 1.932 1.00 0.00 O ATOM 51 CB LYS A 5 14.993 -2.198 3.133 1.00 0.00 C ATOM 52 CG LYS A 5 14.542 -3.164 4.215 1.00 0.00 C ATOM 53 CD LYS A 5 15.725 -3.847 4.881 1.00 0.00 C ATOM 54 CE LYS A 5 15.364 -5.244 5.362 1.00 0.00 C ATOM 55 NZ LYS A 5 15.299 -5.320 6.847 1.00 0.00 N ATOM 0 H LYS A 5 12.569 -2.611 2.801 1.00 0.00 H new ATOM 0 HA LYS A 5 14.657 -1.686 1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.079 -2.236 3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.730 -1.183 3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.962 -2.627 4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.883 -3.916 3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.555 -3.907 4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.065 -3.247 5.725 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.402 -5.536 4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.102 -5.957 4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.050 -6.288 7.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.224 -5.067 7.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.577 -4.659 7.197 1.00 0.00 H new ATOM 69 N ASN A 6 14.659 -4.072 -0.057 1.00 0.00 N ATOM 70 CA ASN A 6 15.126 -5.296 -0.697 1.00 0.00 C ATOM 71 C ASN A 6 14.630 -5.380 -2.137 1.00 0.00 C ATOM 72 O ASN A 6 15.270 -5.994 -2.991 1.00 0.00 O ATOM 73 CB ASN A 6 14.653 -6.520 0.089 1.00 0.00 C ATOM 74 CG ASN A 6 14.773 -7.803 -0.711 1.00 0.00 C ATOM 75 OD1 ASN A 6 15.843 -8.129 -1.225 1.00 0.00 O ATOM 76 ND2 ASN A 6 13.672 -8.537 -0.819 1.00 0.00 N ATOM 0 H ASN A 6 14.116 -3.459 -0.665 1.00 0.00 H new ATOM 0 HA ASN A 6 16.216 -5.278 -0.707 1.00 0.00 H new ATOM 0 HB2 ASN A 6 15.239 -6.609 1.004 1.00 0.00 H new ATOM 0 HB3 ASN A 6 13.615 -6.377 0.388 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.691 -9.411 -1.345 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.807 -8.227 -0.376 1.00 0.00 H new ATOM 83 N LYS A 7 13.486 -4.757 -2.401 1.00 0.00 N ATOM 84 CA LYS A 7 12.904 -4.759 -3.738 1.00 0.00 C ATOM 85 C LYS A 7 13.457 -3.608 -4.573 1.00 0.00 C ATOM 86 O LYS A 7 13.796 -2.552 -4.042 1.00 0.00 O ATOM 87 CB LYS A 7 11.380 -4.655 -3.652 1.00 0.00 C ATOM 88 CG LYS A 7 10.758 -5.632 -2.670 1.00 0.00 C ATOM 89 CD LYS A 7 9.814 -6.598 -3.365 1.00 0.00 C ATOM 90 CE LYS A 7 9.629 -7.875 -2.559 1.00 0.00 C ATOM 91 NZ LYS A 7 10.838 -8.743 -2.610 1.00 0.00 N ATOM 0 H LYS A 7 12.943 -4.244 -1.706 1.00 0.00 H new ATOM 0 HA LYS A 7 13.171 -5.698 -4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.109 -3.640 -3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.956 -4.828 -4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.545 -6.192 -2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.215 -5.081 -1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.847 -6.118 -3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.205 -6.843 -4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.408 -7.621 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.770 -8.426 -2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.561 -9.709 -2.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.506 -8.366 -3.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.292 -8.761 -1.675 1.00 0.00 H new ATOM 105 N GLU A 8 13.542 -3.821 -5.883 1.00 0.00 N ATOM 106 CA GLU A 8 14.052 -2.801 -6.790 1.00 0.00 C ATOM 107 C GLU A 8 13.363 -1.461 -6.546 1.00 0.00 C ATOM 108 O GLU A 8 12.214 -1.412 -6.107 1.00 0.00 O ATOM 109 CB GLU A 8 13.851 -3.233 -8.244 1.00 0.00 C ATOM 110 CG GLU A 8 12.444 -2.985 -8.763 1.00 0.00 C ATOM 111 CD GLU A 8 12.251 -3.479 -10.184 1.00 0.00 C ATOM 112 OE1 GLU A 8 12.564 -4.659 -10.448 1.00 0.00 O ATOM 113 OE2 GLU A 8 11.788 -2.687 -11.031 1.00 0.00 O ATOM 0 H GLU A 8 13.264 -4.690 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 8 15.118 -2.682 -6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.561 -2.699 -8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.081 -4.295 -8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.727 -3.481 -8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.228 -1.917 -8.721 1.00 0.00 H new ATOM 120 N CYS A 9 14.074 -0.376 -6.833 1.00 0.00 N ATOM 121 CA CYS A 9 13.534 0.965 -6.644 1.00 0.00 C ATOM 122 C CYS A 9 14.148 1.944 -7.640 1.00 0.00 C ATOM 123 O CYS A 9 15.316 2.314 -7.521 1.00 0.00 O ATOM 124 CB CYS A 9 13.791 1.444 -5.214 1.00 0.00 C ATOM 125 SG CYS A 9 13.004 3.037 -4.811 1.00 0.00 S ATOM 0 H CYS A 9 15.026 -0.399 -7.198 1.00 0.00 H new ATOM 0 HA CYS A 9 12.459 0.925 -6.818 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.431 0.686 -4.518 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.866 1.533 -5.060 1.00 0.00 H new ATOM 130 N ALA A 10 13.353 2.360 -8.620 1.00 0.00 N ATOM 131 CA ALA A 10 13.818 3.298 -9.634 1.00 0.00 C ATOM 132 C ALA A 10 13.713 4.737 -9.141 1.00 0.00 C ATOM 133 O ALA A 10 12.794 5.083 -8.399 1.00 0.00 O ATOM 134 CB ALA A 10 13.025 3.120 -10.920 1.00 0.00 C ATOM 0 H ALA A 10 12.384 2.062 -8.733 1.00 0.00 H new ATOM 0 HA ALA A 10 14.868 3.086 -9.835 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.383 3.827 -11.669 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.155 2.103 -11.290 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.968 3.303 -10.724 1.00 0.00 H new ATOM 140 N TRP A 11 14.661 5.570 -9.556 1.00 0.00 N ATOM 141 CA TRP A 11 14.675 6.972 -9.154 1.00 0.00 C ATOM 142 C TRP A 11 13.448 7.703 -9.688 1.00 0.00 C ATOM 143 O TRP A 11 13.135 8.811 -9.251 1.00 0.00 O ATOM 144 CB TRP A 11 15.949 7.654 -9.656 1.00 0.00 C ATOM 145 CG TRP A 11 17.106 7.518 -8.713 1.00 0.00 C ATOM 146 CD1 TRP A 11 17.203 6.663 -7.652 1.00 0.00 C ATOM 147 CD2 TRP A 11 18.330 8.261 -8.745 1.00 0.00 C ATOM 148 NE1 TRP A 11 18.413 6.830 -7.023 1.00 0.00 N ATOM 149 CE2 TRP A 11 19.123 7.803 -7.675 1.00 0.00 C ATOM 150 CE3 TRP A 11 18.834 9.266 -9.575 1.00 0.00 C ATOM 151 CZ2 TRP A 11 20.390 8.318 -7.415 1.00 0.00 C ATOM 152 CZ3 TRP A 11 20.091 9.776 -9.316 1.00 0.00 C ATOM 153 CH2 TRP A 11 20.858 9.301 -8.243 1.00 0.00 C ATOM 0 H TRP A 11 15.429 5.299 -10.170 1.00 0.00 H new ATOM 0 HA TRP A 11 14.654 7.013 -8.065 1.00 0.00 H new ATOM 0 HB2 TRP A 11 16.224 7.229 -10.621 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.746 8.712 -9.820 1.00 0.00 H new ATOM 0 HD1 TRP A 11 16.441 5.959 -7.352 1.00 0.00 H new ATOM 0 HE1 TRP A 11 18.731 6.313 -6.203 1.00 0.00 H new ATOM 0 HE3 TRP A 11 18.251 9.637 -10.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 20.983 7.954 -6.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 20.490 10.554 -9.951 1.00 0.00 H new ATOM 0 HH2 TRP A 11 21.838 9.720 -8.067 1.00 0.00 H new ATOM 164 N PHE A 12 12.757 7.077 -10.634 1.00 0.00 N ATOM 165 CA PHE A 12 11.564 7.670 -11.228 1.00 0.00 C ATOM 166 C PHE A 12 10.435 6.647 -11.318 1.00 0.00 C ATOM 167 O PHE A 12 9.559 6.747 -12.176 1.00 0.00 O ATOM 168 CB PHE A 12 11.880 8.220 -12.620 1.00 0.00 C ATOM 169 CG PHE A 12 11.072 9.433 -12.983 1.00 0.00 C ATOM 170 CD1 PHE A 12 11.430 10.687 -12.513 1.00 0.00 C ATOM 171 CD2 PHE A 12 9.955 9.320 -13.794 1.00 0.00 C ATOM 172 CE1 PHE A 12 10.687 11.804 -12.845 1.00 0.00 C ATOM 173 CE2 PHE A 12 9.208 10.434 -14.130 1.00 0.00 C ATOM 174 CZ PHE A 12 9.576 11.678 -13.656 1.00 0.00 C ATOM 0 H PHE A 12 13.002 6.159 -11.006 1.00 0.00 H new ATOM 0 HA PHE A 12 11.239 8.489 -10.587 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.940 8.471 -12.671 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.701 7.439 -13.360 1.00 0.00 H new ATOM 0 HD1 PHE A 12 12.299 10.792 -11.880 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.664 8.350 -14.169 1.00 0.00 H new ATOM 0 HE1 PHE A 12 10.975 12.775 -12.470 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.338 10.332 -14.762 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.996 12.550 -13.919 1.00 0.00 H new ATOM 184 N SER A 13 10.465 5.662 -10.425 1.00 0.00 N ATOM 185 CA SER A 13 9.448 4.617 -10.405 1.00 0.00 C ATOM 186 C SER A 13 8.072 5.204 -10.102 1.00 0.00 C ATOM 187 O SER A 13 7.048 4.559 -10.323 1.00 0.00 O ATOM 188 CB SER A 13 9.801 3.552 -9.366 1.00 0.00 C ATOM 189 OG SER A 13 10.048 4.138 -8.099 1.00 0.00 O ATOM 0 H SER A 13 11.182 5.566 -9.706 1.00 0.00 H new ATOM 0 HA SER A 13 9.417 4.155 -11.392 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.985 2.834 -9.285 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.682 2.999 -9.692 1.00 0.00 H new ATOM 0 HG SER A 13 10.970 4.469 -8.066 1.00 0.00 H new ATOM 195 N GLY A 14 8.058 6.432 -9.594 1.00 0.00 N ATOM 196 CA GLY A 14 6.804 7.086 -9.269 1.00 0.00 C ATOM 197 C GLY A 14 6.386 6.854 -7.831 1.00 0.00 C ATOM 198 O GLY A 14 5.730 7.700 -7.224 1.00 0.00 O ATOM 0 H GLY A 14 8.893 6.986 -9.402 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.899 8.157 -9.448 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.023 6.719 -9.935 1.00 0.00 H new ATOM 202 N GLU A 15 6.763 5.702 -7.285 1.00 0.00 N ATOM 203 CA GLU A 15 6.419 5.360 -5.909 1.00 0.00 C ATOM 204 C GLU A 15 7.617 5.557 -4.984 1.00 0.00 C ATOM 205 O GLU A 15 8.702 5.933 -5.428 1.00 0.00 O ATOM 206 CB GLU A 15 5.931 3.912 -5.827 1.00 0.00 C ATOM 207 CG GLU A 15 6.821 2.926 -6.565 1.00 0.00 C ATOM 208 CD GLU A 15 6.153 2.347 -7.797 1.00 0.00 C ATOM 209 OE1 GLU A 15 5.277 3.027 -8.372 1.00 0.00 O ATOM 210 OE2 GLU A 15 6.506 1.214 -8.187 1.00 0.00 O ATOM 0 H GLU A 15 7.306 4.990 -7.774 1.00 0.00 H new ATOM 0 HA GLU A 15 5.618 6.025 -5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.868 3.618 -4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.922 3.854 -6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.745 3.425 -6.858 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.096 2.115 -5.890 1.00 0.00 H new ATOM 217 N TRP A 16 7.411 5.302 -3.698 1.00 0.00 N ATOM 218 CA TRP A 16 8.473 5.452 -2.709 1.00 0.00 C ATOM 219 C TRP A 16 8.630 4.182 -1.881 1.00 0.00 C ATOM 220 O TRP A 16 7.804 3.272 -1.960 1.00 0.00 O ATOM 221 CB TRP A 16 8.179 6.640 -1.791 1.00 0.00 C ATOM 222 CG TRP A 16 8.179 7.958 -2.507 1.00 0.00 C ATOM 223 CD1 TRP A 16 7.407 8.310 -3.576 1.00 0.00 C ATOM 224 CD2 TRP A 16 8.992 9.097 -2.204 1.00 0.00 C ATOM 225 NE1 TRP A 16 7.690 9.599 -3.957 1.00 0.00 N ATOM 226 CE2 TRP A 16 8.659 10.104 -3.131 1.00 0.00 C ATOM 227 CE3 TRP A 16 9.968 9.365 -1.240 1.00 0.00 C ATOM 228 CZ2 TRP A 16 9.268 11.356 -3.120 1.00 0.00 C ATOM 229 CZ3 TRP A 16 10.572 10.608 -1.231 1.00 0.00 C ATOM 230 CH2 TRP A 16 10.220 11.591 -2.165 1.00 0.00 C ATOM 0 H TRP A 16 6.519 4.990 -3.315 1.00 0.00 H new ATOM 0 HA TRP A 16 9.407 5.634 -3.241 1.00 0.00 H new ATOM 0 HB2 TRP A 16 7.209 6.492 -1.317 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.922 6.667 -0.994 1.00 0.00 H new ATOM 0 HD1 TRP A 16 6.680 7.669 -4.053 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.250 10.099 -4.730 1.00 0.00 H new ATOM 0 HE3 TRP A 16 10.245 8.614 -0.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 8.999 12.115 -3.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 11.328 10.825 -0.491 1.00 0.00 H new ATOM 0 HH2 TRP A 16 10.709 12.553 -2.131 1.00 0.00 H new ATOM 241 N CYS A 17 9.694 4.125 -1.088 1.00 0.00 N ATOM 242 CA CYS A 17 9.960 2.965 -0.246 1.00 0.00 C ATOM 243 C CYS A 17 9.142 3.028 1.040 1.00 0.00 C ATOM 244 O CYS A 17 8.638 4.087 1.418 1.00 0.00 O ATOM 245 CB CYS A 17 11.451 2.883 0.089 1.00 0.00 C ATOM 246 SG CYS A 17 12.549 3.322 -1.297 1.00 0.00 S ATOM 0 H CYS A 17 10.387 4.869 -1.011 1.00 0.00 H new ATOM 0 HA CYS A 17 9.669 2.072 -0.798 1.00 0.00 H new ATOM 0 HB2 CYS A 17 11.661 3.545 0.929 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.684 1.870 0.416 1.00 0.00 H new ATOM 251 N CYS A 18 9.013 1.888 1.710 1.00 0.00 N ATOM 252 CA CYS A 18 8.257 1.812 2.954 1.00 0.00 C ATOM 253 C CYS A 18 8.940 2.616 4.056 1.00 0.00 C ATOM 254 O CYS A 18 10.085 3.042 3.910 1.00 0.00 O ATOM 255 CB CYS A 18 8.101 0.354 3.392 1.00 0.00 C ATOM 256 SG CYS A 18 7.249 -0.701 2.176 1.00 0.00 S ATOM 0 H CYS A 18 9.423 1.003 1.412 1.00 0.00 H new ATOM 0 HA CYS A 18 7.270 2.239 2.777 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.089 -0.062 3.589 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.549 0.325 4.332 1.00 0.00 H new ATOM 261 N GLY A 19 8.228 2.820 5.161 1.00 0.00 N ATOM 262 CA GLY A 19 8.781 3.572 6.272 1.00 0.00 C ATOM 263 C GLY A 19 9.310 4.927 5.848 1.00 0.00 C ATOM 264 O GLY A 19 8.537 5.841 5.560 1.00 0.00 O ATOM 0 H GLY A 19 7.278 2.478 5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.013 3.707 7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.586 2.998 6.730 1.00 0.00 H new ATOM 268 N ALA A 20 10.632 5.060 5.811 1.00 0.00 N ATOM 269 CA ALA A 20 11.263 6.314 5.419 1.00 0.00 C ATOM 270 C ALA A 20 12.626 6.066 4.782 1.00 0.00 C ATOM 271 O ALA A 20 13.584 6.798 5.036 1.00 0.00 O ATOM 272 CB ALA A 20 11.400 7.234 6.622 1.00 0.00 C ATOM 0 H ALA A 20 11.287 4.314 6.048 1.00 0.00 H new ATOM 0 HA ALA A 20 10.627 6.797 4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.873 8.167 6.315 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.413 7.446 7.032 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.013 6.750 7.382 1.00 0.00 H new ATOM 278 N LEU A 21 12.708 5.031 3.953 1.00 0.00 N ATOM 279 CA LEU A 21 13.955 4.687 3.280 1.00 0.00 C ATOM 280 C LEU A 21 13.945 5.172 1.834 1.00 0.00 C ATOM 281 O LEU A 21 12.885 5.413 1.257 1.00 0.00 O ATOM 282 CB LEU A 21 14.178 3.174 3.320 1.00 0.00 C ATOM 283 CG LEU A 21 13.848 2.481 4.643 1.00 0.00 C ATOM 284 CD1 LEU A 21 13.210 1.124 4.390 1.00 0.00 C ATOM 285 CD2 LEU A 21 15.100 2.333 5.494 1.00 0.00 C ATOM 0 H LEU A 21 11.925 4.416 3.731 1.00 0.00 H new ATOM 0 HA LEU A 21 14.771 5.183 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.576 2.717 2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.222 2.974 3.079 1.00 0.00 H new ATOM 0 HG LEU A 21 13.134 3.100 5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.982 0.646 5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.290 1.255 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.900 0.497 3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.846 1.838 6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.837 1.736 4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.515 3.319 5.705 1.00 0.00 H new ATOM 297 N SER A 22 15.133 5.313 1.254 1.00 0.00 N ATOM 298 CA SER A 22 15.262 5.771 -0.124 1.00 0.00 C ATOM 299 C SER A 22 15.782 4.653 -1.022 1.00 0.00 C ATOM 300 O SER A 22 15.925 3.509 -0.590 1.00 0.00 O ATOM 301 CB SER A 22 16.200 6.977 -0.197 1.00 0.00 C ATOM 302 OG SER A 22 15.482 8.191 -0.058 1.00 0.00 O ATOM 0 H SER A 22 16.020 5.116 1.718 1.00 0.00 H new ATOM 0 HA SER A 22 14.274 6.066 -0.477 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.953 6.904 0.588 1.00 0.00 H new ATOM 0 HB3 SER A 22 16.731 6.972 -1.149 1.00 0.00 H new ATOM 0 HG SER A 22 16.104 8.946 -0.106 1.00 0.00 H new ATOM 308 N CYS A 23 16.063 4.992 -2.276 1.00 0.00 N ATOM 309 CA CYS A 23 16.566 4.019 -3.238 1.00 0.00 C ATOM 310 C CYS A 23 18.087 4.094 -3.343 1.00 0.00 C ATOM 311 O CYS A 23 18.639 5.081 -3.831 1.00 0.00 O ATOM 312 CB CYS A 23 15.937 4.256 -4.612 1.00 0.00 C ATOM 313 SG CYS A 23 14.137 4.535 -4.567 1.00 0.00 S ATOM 0 H CYS A 23 15.951 5.934 -2.650 1.00 0.00 H new ATOM 0 HA CYS A 23 16.292 3.024 -2.887 1.00 0.00 H new ATOM 0 HB2 CYS A 23 16.416 5.118 -5.075 1.00 0.00 H new ATOM 0 HB3 CYS A 23 16.145 3.396 -5.248 1.00 0.00 H new ATOM 318 N LYS A 24 18.759 3.045 -2.881 1.00 0.00 N ATOM 319 CA LYS A 24 20.215 2.990 -2.923 1.00 0.00 C ATOM 320 C LYS A 24 20.691 1.880 -3.855 1.00 0.00 C ATOM 321 O LYS A 24 19.980 0.901 -4.084 1.00 0.00 O ATOM 322 CB LYS A 24 20.779 2.767 -1.518 1.00 0.00 C ATOM 323 CG LYS A 24 20.285 3.777 -0.497 1.00 0.00 C ATOM 324 CD LYS A 24 18.914 3.402 0.041 1.00 0.00 C ATOM 325 CE LYS A 24 18.692 3.961 1.438 1.00 0.00 C ATOM 326 NZ LYS A 24 18.778 5.448 1.460 1.00 0.00 N ATOM 0 H LYS A 24 18.318 2.221 -2.473 1.00 0.00 H new ATOM 0 HA LYS A 24 20.578 3.944 -3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.512 1.765 -1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.867 2.809 -1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 24 20.996 3.840 0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 24 20.239 4.765 -0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.143 3.780 -0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.814 2.317 0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.714 3.648 1.803 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.435 3.544 2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.675 5.737 1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.737 5.813 0.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.983 5.834 2.008 1.00 0.00 H new ATOM 340 N TYR A 25 21.896 2.039 -4.390 1.00 0.00 N ATOM 341 CA TYR A 25 22.466 1.050 -5.298 1.00 0.00 C ATOM 342 C TYR A 25 23.065 -0.120 -4.523 1.00 0.00 C ATOM 343 O TYR A 25 23.780 0.073 -3.540 1.00 0.00 O ATOM 344 CB TYR A 25 23.537 1.694 -6.179 1.00 0.00 C ATOM 345 CG TYR A 25 24.195 0.727 -7.137 1.00 0.00 C ATOM 346 CD1 TYR A 25 25.294 -0.029 -6.746 1.00 0.00 C ATOM 347 CD2 TYR A 25 23.718 0.568 -8.432 1.00 0.00 C ATOM 348 CE1 TYR A 25 25.899 -0.913 -7.618 1.00 0.00 C ATOM 349 CE2 TYR A 25 24.316 -0.315 -9.310 1.00 0.00 C ATOM 350 CZ TYR A 25 25.406 -1.053 -8.899 1.00 0.00 C ATOM 351 OH TYR A 25 26.005 -1.934 -9.770 1.00 0.00 O ATOM 0 H TYR A 25 22.497 2.843 -4.211 1.00 0.00 H new ATOM 0 HA TYR A 25 21.664 0.670 -5.931 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.086 2.507 -6.749 1.00 0.00 H new ATOM 0 HB3 TYR A 25 24.302 2.137 -5.541 1.00 0.00 H new ATOM 0 HD1 TYR A 25 25.681 0.077 -5.743 1.00 0.00 H new ATOM 0 HD2 TYR A 25 22.865 1.145 -8.758 1.00 0.00 H new ATOM 0 HE1 TYR A 25 26.753 -1.491 -7.299 1.00 0.00 H new ATOM 0 HE2 TYR A 25 23.932 -0.427 -10.313 1.00 0.00 H new ATOM 0 HH TYR A 25 25.536 -1.914 -10.630 1.00 0.00 H new ATOM 361 N SER A 26 22.768 -1.334 -4.975 1.00 0.00 N ATOM 362 CA SER A 26 23.274 -2.537 -4.323 1.00 0.00 C ATOM 363 C SER A 26 24.272 -3.261 -5.221 1.00 0.00 C ATOM 364 O SER A 26 23.887 -3.990 -6.135 1.00 0.00 O ATOM 365 CB SER A 26 22.118 -3.474 -3.967 1.00 0.00 C ATOM 366 OG SER A 26 21.616 -3.194 -2.672 1.00 0.00 O ATOM 0 H SER A 26 22.180 -1.511 -5.789 1.00 0.00 H new ATOM 0 HA SER A 26 23.785 -2.238 -3.408 1.00 0.00 H new ATOM 0 HB2 SER A 26 21.319 -3.367 -4.701 1.00 0.00 H new ATOM 0 HB3 SER A 26 22.457 -4.509 -4.013 1.00 0.00 H new ATOM 0 HG SER A 26 20.877 -3.805 -2.468 1.00 0.00 H new ATOM 372 N ILE A 27 25.557 -3.054 -4.952 1.00 0.00 N ATOM 373 CA ILE A 27 26.612 -3.688 -5.734 1.00 0.00 C ATOM 374 C ILE A 27 26.505 -5.208 -5.671 1.00 0.00 C ATOM 375 O ILE A 27 26.661 -5.895 -6.681 1.00 0.00 O ATOM 376 CB ILE A 27 28.009 -3.262 -5.244 1.00 0.00 C ATOM 377 CG1 ILE A 27 28.035 -1.760 -4.955 1.00 0.00 C ATOM 378 CG2 ILE A 27 29.066 -3.627 -6.276 1.00 0.00 C ATOM 379 CD1 ILE A 27 27.990 -1.429 -3.479 1.00 0.00 C ATOM 0 H ILE A 27 25.892 -2.453 -4.199 1.00 0.00 H new ATOM 0 HA ILE A 27 26.482 -3.359 -6.765 1.00 0.00 H new ATOM 0 HB ILE A 27 28.232 -3.795 -4.320 1.00 0.00 H new ATOM 0 HG12 ILE A 27 28.938 -1.330 -5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 27 27.187 -1.288 -5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 27 30.048 -3.320 -5.916 1.00 0.00 H new ATOM 0 HG22 ILE A 27 29.060 -4.705 -6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 27 28.849 -3.118 -7.215 1.00 0.00 H new ATOM 0 HD11 ILE A 27 28.012 -0.347 -3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.074 -1.829 -3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 27 28.852 -1.872 -2.980 1.00 0.00 H new ATOM 391 N LYS A 28 26.236 -5.728 -4.478 1.00 0.00 N ATOM 392 CA LYS A 28 26.105 -7.167 -4.282 1.00 0.00 C ATOM 393 C LYS A 28 24.955 -7.726 -5.115 1.00 0.00 C ATOM 394 O LYS A 28 25.062 -8.811 -5.687 1.00 0.00 O ATOM 395 CB LYS A 28 25.877 -7.482 -2.802 1.00 0.00 C ATOM 396 CG LYS A 28 26.829 -6.751 -1.871 1.00 0.00 C ATOM 397 CD LYS A 28 26.136 -5.606 -1.152 1.00 0.00 C ATOM 398 CE LYS A 28 25.649 -6.027 0.226 1.00 0.00 C ATOM 399 NZ LYS A 28 24.693 -5.041 0.802 1.00 0.00 N ATOM 0 H LYS A 28 26.104 -5.174 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 28 27.031 -7.640 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 28 24.852 -7.222 -2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 28 25.983 -8.556 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 28 27.232 -7.451 -1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 28 27.673 -6.365 -2.442 1.00 0.00 H new ATOM 0 HD2 LYS A 28 26.824 -4.766 -1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 28 25.291 -5.259 -1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 28 25.168 -7.003 0.159 1.00 0.00 H new ATOM 0 HE3 LYS A 28 26.503 -6.138 0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 24.385 -5.364 1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 25.160 -4.116 0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 23.866 -4.953 0.177 1.00 0.00 H new ATOM 413 N ARG A 29 23.859 -6.979 -5.179 1.00 0.00 N ATOM 414 CA ARG A 29 22.690 -7.401 -5.943 1.00 0.00 C ATOM 415 C ARG A 29 22.766 -6.891 -7.379 1.00 0.00 C ATOM 416 O ARG A 29 21.826 -7.055 -8.156 1.00 0.00 O ATOM 417 CB ARG A 29 21.410 -6.894 -5.277 1.00 0.00 C ATOM 418 CG ARG A 29 21.121 -7.546 -3.935 1.00 0.00 C ATOM 419 CD ARG A 29 19.731 -8.160 -3.901 1.00 0.00 C ATOM 420 NE ARG A 29 19.700 -9.404 -3.137 1.00 0.00 N ATOM 421 CZ ARG A 29 18.678 -10.253 -3.156 1.00 0.00 C ATOM 422 NH1 ARG A 29 17.610 -9.993 -3.897 1.00 0.00 N ATOM 423 NH2 ARG A 29 18.725 -11.365 -2.434 1.00 0.00 N ATOM 0 H ARG A 29 23.755 -6.078 -4.711 1.00 0.00 H new ATOM 0 HA ARG A 29 22.674 -8.491 -5.964 1.00 0.00 H new ATOM 0 HB2 ARG A 29 21.486 -5.815 -5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 29 20.568 -7.071 -5.946 1.00 0.00 H new ATOM 0 HG2 ARG A 29 21.865 -8.317 -3.736 1.00 0.00 H new ATOM 0 HG3 ARG A 29 21.211 -6.804 -3.142 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.031 -7.448 -3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 29 19.395 -8.352 -4.920 1.00 0.00 H new ATOM 0 HE ARG A 29 20.507 -9.634 -2.557 1.00 0.00 H new ATOM 0 HH11 ARG A 29 17.571 -9.140 -4.454 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.827 -10.646 -3.910 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.546 -11.569 -1.864 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.940 -12.016 -2.449 1.00 0.00 H new ATOM 437 N ASN A 30 23.890 -6.272 -7.723 1.00 0.00 N ATOM 438 CA ASN A 30 24.088 -5.737 -9.066 1.00 0.00 C ATOM 439 C ASN A 30 22.825 -5.044 -9.567 1.00 0.00 C ATOM 440 O ASN A 30 22.497 -5.107 -10.752 1.00 0.00 O ATOM 441 CB ASN A 30 24.486 -6.857 -10.030 1.00 0.00 C ATOM 442 CG ASN A 30 23.422 -7.932 -10.137 1.00 0.00 C ATOM 443 OD1 ASN A 30 22.318 -7.682 -10.622 1.00 0.00 O ATOM 444 ND2 ASN A 30 23.749 -9.136 -9.683 1.00 0.00 N ATOM 0 H ASN A 30 24.678 -6.128 -7.091 1.00 0.00 H new ATOM 0 HA ASN A 30 24.891 -5.002 -9.023 1.00 0.00 H new ATOM 0 HB2 ASN A 30 24.672 -6.434 -11.017 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.421 -7.307 -9.695 1.00 0.00 H new ATOM 0 HD21 ASN A 30 23.073 -9.899 -9.728 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.676 -9.298 -9.289 1.00 0.00 H new ATOM 451 N LEU A 31 22.119 -4.382 -8.656 1.00 0.00 N ATOM 452 CA LEU A 31 20.891 -3.676 -9.005 1.00 0.00 C ATOM 453 C LEU A 31 20.657 -2.495 -8.068 1.00 0.00 C ATOM 454 O LEU A 31 21.534 -2.126 -7.286 1.00 0.00 O ATOM 455 CB LEU A 31 19.697 -4.630 -8.949 1.00 0.00 C ATOM 456 CG LEU A 31 19.709 -5.779 -9.958 1.00 0.00 C ATOM 457 CD1 LEU A 31 18.674 -6.829 -9.583 1.00 0.00 C ATOM 458 CD2 LEU A 31 19.456 -5.257 -11.365 1.00 0.00 C ATOM 0 H LEU A 31 22.376 -4.320 -7.671 1.00 0.00 H new ATOM 0 HA LEU A 31 20.996 -3.295 -10.021 1.00 0.00 H new ATOM 0 HB2 LEU A 31 19.643 -5.054 -7.946 1.00 0.00 H new ATOM 0 HB3 LEU A 31 18.786 -4.050 -9.100 1.00 0.00 H new ATOM 0 HG LEU A 31 20.694 -6.245 -9.937 1.00 0.00 H new ATOM 0 HD11 LEU A 31 18.697 -7.639 -10.312 1.00 0.00 H new ATOM 0 HD12 LEU A 31 18.900 -7.225 -8.593 1.00 0.00 H new ATOM 0 HD13 LEU A 31 17.683 -6.376 -9.575 1.00 0.00 H new ATOM 0 HD21 LEU A 31 19.468 -6.089 -12.069 1.00 0.00 H new ATOM 0 HD22 LEU A 31 18.484 -4.765 -11.401 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.234 -4.543 -11.634 1.00 0.00 H new ATOM 470 N LYS A 32 19.469 -1.908 -8.150 1.00 0.00 N ATOM 471 CA LYS A 32 19.116 -0.771 -7.308 1.00 0.00 C ATOM 472 C LYS A 32 17.849 -1.058 -6.509 1.00 0.00 C ATOM 473 O LYS A 32 16.765 -1.196 -7.077 1.00 0.00 O ATOM 474 CB LYS A 32 18.920 0.483 -8.163 1.00 0.00 C ATOM 475 CG LYS A 32 20.156 0.880 -8.953 1.00 0.00 C ATOM 476 CD LYS A 32 20.085 0.383 -10.387 1.00 0.00 C ATOM 477 CE LYS A 32 20.587 1.433 -11.366 1.00 0.00 C ATOM 478 NZ LYS A 32 19.864 1.370 -12.666 1.00 0.00 N ATOM 0 H LYS A 32 18.733 -2.201 -8.792 1.00 0.00 H new ATOM 0 HA LYS A 32 19.935 -0.601 -6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.095 0.315 -8.855 1.00 0.00 H new ATOM 0 HB3 LYS A 32 18.630 1.312 -7.517 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.259 1.965 -8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.044 0.473 -8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 32 20.680 -0.525 -10.489 1.00 0.00 H new ATOM 0 HD3 LYS A 32 19.056 0.119 -10.631 1.00 0.00 H new ATOM 0 HE2 LYS A 32 20.464 2.424 -10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 32 21.654 1.290 -11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 20.235 2.101 -13.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 20.002 0.433 -13.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 18.849 1.532 -12.507 1.00 0.00 H new ATOM 492 N ILE A 33 17.992 -1.144 -5.191 1.00 0.00 N ATOM 493 CA ILE A 33 16.857 -1.411 -4.316 1.00 0.00 C ATOM 494 C ILE A 33 16.826 -0.436 -3.144 1.00 0.00 C ATOM 495 O ILE A 33 17.758 0.344 -2.945 1.00 0.00 O ATOM 496 CB ILE A 33 16.894 -2.851 -3.771 1.00 0.00 C ATOM 497 CG1 ILE A 33 17.904 -2.962 -2.627 1.00 0.00 C ATOM 498 CG2 ILE A 33 17.236 -3.830 -4.884 1.00 0.00 C ATOM 499 CD1 ILE A 33 18.156 -4.384 -2.179 1.00 0.00 C ATOM 0 H ILE A 33 18.882 -1.033 -4.706 1.00 0.00 H new ATOM 0 HA ILE A 33 15.957 -1.282 -4.917 1.00 0.00 H new ATOM 0 HB ILE A 33 15.907 -3.102 -3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 33 18.848 -2.516 -2.942 1.00 0.00 H new ATOM 0 HG13 ILE A 33 17.544 -2.381 -1.778 1.00 0.00 H new ATOM 0 HG21 ILE A 33 17.258 -4.843 -4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.482 -3.767 -5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 33 18.213 -3.582 -5.299 1.00 0.00 H new ATOM 0 HD11 ILE A 33 18.882 -4.386 -1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 33 17.222 -4.827 -1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 33 18.546 -4.965 -3.015 1.00 0.00 H new ATOM 511 N CYS A 34 15.749 -0.487 -2.367 1.00 0.00 N ATOM 512 CA CYS A 34 15.595 0.389 -1.213 1.00 0.00 C ATOM 513 C CYS A 34 16.349 -0.163 -0.006 1.00 0.00 C ATOM 514 O CYS A 34 16.643 -1.357 0.063 1.00 0.00 O ATOM 515 CB CYS A 34 14.114 0.559 -0.868 1.00 0.00 C ATOM 516 SG CYS A 34 13.220 1.700 -1.972 1.00 0.00 S ATOM 0 H CYS A 34 14.969 -1.127 -2.517 1.00 0.00 H new ATOM 0 HA CYS A 34 16.015 1.362 -1.469 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.630 -0.417 -0.902 1.00 0.00 H new ATOM 0 HB3 CYS A 34 14.030 0.921 0.157 1.00 0.00 H new ATOM 521 N VAL A 35 16.660 0.715 0.942 1.00 0.00 N ATOM 522 CA VAL A 35 17.378 0.316 2.147 1.00 0.00 C ATOM 523 C VAL A 35 16.976 1.178 3.338 1.00 0.00 C ATOM 524 O VAL A 35 17.669 2.133 3.689 1.00 0.00 O ATOM 525 CB VAL A 35 18.903 0.412 1.949 1.00 0.00 C ATOM 526 CG1 VAL A 35 19.635 -0.131 3.167 1.00 0.00 C ATOM 527 CG2 VAL A 35 19.324 -0.328 0.689 1.00 0.00 C ATOM 0 H VAL A 35 16.426 1.707 0.899 1.00 0.00 H new ATOM 0 HA VAL A 35 17.109 -0.721 2.347 1.00 0.00 H new ATOM 0 HB VAL A 35 19.172 1.462 1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 35 20.711 -0.055 3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.356 0.448 4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.364 -1.176 3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 35 20.404 -0.250 0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.043 -1.378 0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.827 0.113 -0.175 1.00 0.00 H new