USER MOD reduce.3.24.130724 H: found=0, std=0, add=242, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 242 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 34 TYR OH : rot -151:sc= 0.0201 USER MOD Set 1.2: A 36 GLN : amide:sc=-0.00866 X(o=0.011,f=-0.43) USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 28 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.32) USER MOD Set 3.1: A 4 GLN : amide:sc= -0.0287 K(o=0.018,f=-3.9!) USER MOD Set 3.2: A 15 TYR OH : rot 174:sc= 0.0464 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 44:sc= 0.37 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.461 USER MOD Single : A 6 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.2) USER MOD Single : A 9 GLN : amide:sc= 0.0395 K(o=0.039,f=-0.59) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= 0.779 (180deg=0.505) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -1:sc= 0.759 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.0384 F(o=-1.2,f=-0.038) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 27:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.477 9.783 -5.605 1.00 0.00 N ATOM 2 CA SER A 1 -6.837 8.850 -4.658 1.00 0.00 C ATOM 3 C SER A 1 -6.120 9.594 -3.528 1.00 0.00 C ATOM 4 O SER A 1 -5.352 10.525 -3.776 1.00 0.00 O ATOM 5 CB SER A 1 -5.868 7.896 -5.376 1.00 0.00 C ATOM 6 OG SER A 1 -6.552 7.101 -6.322 1.00 0.00 O ATOM 0 H1 SER A 1 -7.953 9.243 -6.356 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.176 10.364 -5.100 1.00 0.00 H new ATOM 0 H3 SER A 1 -6.754 10.400 -6.027 1.00 0.00 H new ATOM 0 HA SER A 1 -7.634 8.253 -4.214 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.088 8.471 -5.875 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.374 7.255 -4.646 1.00 0.00 H new ATOM 0 HG SER A 1 -5.916 6.503 -6.768 1.00 0.00 H new ATOM 14 N CYS A 2 -6.369 9.152 -2.288 1.00 0.00 N ATOM 15 CA CYS A 2 -5.765 9.667 -1.066 1.00 0.00 C ATOM 16 C CYS A 2 -4.226 9.557 -1.073 1.00 0.00 C ATOM 17 O CYS A 2 -3.661 8.600 -1.598 1.00 0.00 O ATOM 18 CB CYS A 2 -6.421 9.022 0.181 1.00 0.00 C ATOM 19 SG CYS A 2 -6.982 7.277 0.199 1.00 0.00 S ATOM 0 H CYS A 2 -7.026 8.393 -2.109 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.968 10.737 -1.017 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -5.710 9.131 1.000 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -7.289 9.633 0.429 1.00 0.00 H new ATOM 24 N THR A 3 -3.546 10.555 -0.484 1.00 0.00 N ATOM 25 CA THR A 3 -2.112 10.536 -0.215 1.00 0.00 C ATOM 26 C THR A 3 -1.906 9.640 1.009 1.00 0.00 C ATOM 27 O THR A 3 -2.068 10.063 2.154 1.00 0.00 O ATOM 28 CB THR A 3 -1.540 11.952 -0.026 1.00 0.00 C ATOM 29 OG1 THR A 3 -2.226 12.658 0.991 1.00 0.00 O ATOM 30 CG2 THR A 3 -1.590 12.753 -1.335 1.00 0.00 C ATOM 0 H THR A 3 -3.997 11.417 -0.177 1.00 0.00 H new ATOM 0 HA THR A 3 -1.562 10.135 -1.066 1.00 0.00 H new ATOM 0 HB THR A 3 -0.499 11.835 0.275 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.363 12.069 1.762 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.179 13.749 -1.168 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.003 12.241 -2.097 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.624 12.839 -1.670 1.00 0.00 H new ATOM 38 N GLN A 4 -1.627 8.370 0.719 1.00 0.00 N ATOM 39 CA GLN A 4 -1.748 7.232 1.611 1.00 0.00 C ATOM 40 C GLN A 4 -0.572 7.228 2.590 1.00 0.00 C ATOM 41 O GLN A 4 0.570 7.357 2.153 1.00 0.00 O ATOM 42 CB GLN A 4 -1.764 5.992 0.714 1.00 0.00 C ATOM 43 CG GLN A 4 -1.874 4.601 1.304 1.00 0.00 C ATOM 44 CD GLN A 4 -2.957 4.452 2.354 1.00 0.00 C ATOM 45 OE1 GLN A 4 -2.886 5.032 3.435 1.00 0.00 O ATOM 46 NE2 GLN A 4 -3.960 3.641 2.043 1.00 0.00 N ATOM 0 H GLN A 4 -1.290 8.098 -0.204 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.655 7.263 2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.597 6.111 0.021 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.850 6.015 0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.065 3.892 0.499 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -0.915 4.330 1.747 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.979 3.179 1.134 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.712 3.479 2.713 1.00 0.00 H new ATOM 55 N THR A 5 -0.823 7.098 3.903 1.00 0.00 N ATOM 56 CA THR A 5 0.231 7.193 4.907 1.00 0.00 C ATOM 57 C THR A 5 1.240 6.058 4.773 1.00 0.00 C ATOM 58 O THR A 5 1.049 5.073 4.056 1.00 0.00 O ATOM 59 CB THR A 5 -0.342 7.292 6.339 1.00 0.00 C ATOM 60 OG1 THR A 5 0.655 7.348 7.342 1.00 0.00 O ATOM 61 CG2 THR A 5 -1.339 6.177 6.693 1.00 0.00 C ATOM 0 H THR A 5 -1.752 6.926 4.287 1.00 0.00 H new ATOM 0 HA THR A 5 0.769 8.122 4.720 1.00 0.00 H new ATOM 0 HB THR A 5 -0.881 8.239 6.323 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.230 7.411 8.223 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.695 6.318 7.714 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.184 6.213 6.006 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.846 5.208 6.611 1.00 0.00 H new ATOM 69 N HIS A 6 2.322 6.239 5.527 1.00 0.00 N ATOM 70 CA HIS A 6 3.342 5.226 5.732 1.00 0.00 C ATOM 71 C HIS A 6 2.699 4.055 6.472 1.00 0.00 C ATOM 72 O HIS A 6 2.040 4.258 7.491 1.00 0.00 O ATOM 73 CB HIS A 6 4.548 5.823 6.476 1.00 0.00 C ATOM 74 CG HIS A 6 5.686 4.857 6.747 1.00 0.00 C ATOM 75 ND1 HIS A 6 6.717 5.152 7.627 1.00 0.00 N ATOM 76 CD2 HIS A 6 6.001 3.614 6.243 1.00 0.00 C ATOM 77 CE1 HIS A 6 7.563 4.106 7.625 1.00 0.00 C ATOM 78 NE2 HIS A 6 7.178 3.130 6.803 1.00 0.00 N ATOM 0 H HIS A 6 2.513 7.112 6.019 1.00 0.00 H new ATOM 0 HA HIS A 6 3.731 4.860 4.782 1.00 0.00 H new ATOM 0 HB2 HIS A 6 4.935 6.660 5.895 1.00 0.00 H new ATOM 0 HB3 HIS A 6 4.203 6.228 7.427 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.411 3.085 5.509 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.459 4.062 8.226 1.00 0.00 H new ATOM 0 HE2 HIS A 6 7.639 2.237 6.626 1.00 0.00 H new ATOM 86 N TRP A 7 2.827 2.862 5.876 1.00 0.00 N ATOM 87 CA TRP A 7 2.050 1.666 6.225 1.00 0.00 C ATOM 88 C TRP A 7 0.571 1.923 5.874 1.00 0.00 C ATOM 89 O TRP A 7 -0.143 2.582 6.629 1.00 0.00 O ATOM 90 CB TRP A 7 2.224 1.213 7.692 1.00 0.00 C ATOM 91 CG TRP A 7 3.595 0.803 8.160 1.00 0.00 C ATOM 92 CD1 TRP A 7 4.139 -0.435 8.090 1.00 0.00 C ATOM 93 CD2 TRP A 7 4.556 1.602 8.905 1.00 0.00 C ATOM 94 NE1 TRP A 7 5.357 -0.459 8.744 1.00 0.00 N ATOM 95 CE2 TRP A 7 5.672 0.783 9.257 1.00 0.00 C ATOM 96 CE3 TRP A 7 4.571 2.939 9.351 1.00 0.00 C ATOM 97 CZ2 TRP A 7 6.760 1.281 10.000 1.00 0.00 C ATOM 98 CZ3 TRP A 7 5.632 3.443 10.134 1.00 0.00 C ATOM 99 CH2 TRP A 7 6.733 2.617 10.448 1.00 0.00 C ATOM 0 H TRP A 7 3.491 2.698 5.119 1.00 0.00 H new ATOM 0 HA TRP A 7 2.435 0.832 5.638 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.885 2.027 8.333 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.551 0.373 7.861 1.00 0.00 H new ATOM 0 HD1 TRP A 7 3.687 -1.282 7.595 1.00 0.00 H new ATOM 0 HE1 TRP A 7 5.946 -1.287 8.835 1.00 0.00 H new ATOM 0 HE3 TRP A 7 3.752 3.593 9.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 7.605 0.647 10.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.601 4.461 10.493 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.554 3.008 11.031 1.00 0.00 H new ATOM 110 N GLY A 8 0.128 1.439 4.707 1.00 0.00 N ATOM 111 CA GLY A 8 -1.123 1.815 4.064 1.00 0.00 C ATOM 112 C GLY A 8 -1.243 0.975 2.805 1.00 0.00 C ATOM 113 O GLY A 8 -0.377 1.043 1.933 1.00 0.00 O ATOM 0 H GLY A 8 0.655 0.750 4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.968 1.636 4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.128 2.878 3.821 1.00 0.00 H new ATOM 117 N GLN A 9 -2.292 0.145 2.734 1.00 0.00 N ATOM 118 CA GLN A 9 -2.428 -0.855 1.688 1.00 0.00 C ATOM 119 C GLN A 9 -2.560 -0.167 0.322 1.00 0.00 C ATOM 120 O GLN A 9 -3.122 0.921 0.215 1.00 0.00 O ATOM 121 CB GLN A 9 -3.580 -1.818 2.018 1.00 0.00 C ATOM 122 CG GLN A 9 -3.503 -3.106 1.184 1.00 0.00 C ATOM 123 CD GLN A 9 -4.563 -4.143 1.566 1.00 0.00 C ATOM 124 OE1 GLN A 9 -5.498 -3.855 2.312 1.00 0.00 O ATOM 125 NE2 GLN A 9 -4.412 -5.371 1.063 1.00 0.00 N ATOM 0 H GLN A 9 -3.063 0.154 3.402 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.531 -1.472 1.634 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.551 -2.069 3.078 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.533 -1.322 1.834 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.615 -2.854 0.129 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.514 -3.548 1.303 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.625 -5.577 0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.083 -6.103 1.295 1.00 0.00 H new ATOM 134 N CYS A 10 -1.959 -0.785 -0.698 1.00 0.00 N ATOM 135 CA CYS A 10 -1.821 -0.269 -2.056 1.00 0.00 C ATOM 136 C CYS A 10 -1.944 -1.383 -3.116 1.00 0.00 C ATOM 137 O CYS A 10 -1.536 -1.184 -4.260 1.00 0.00 O ATOM 138 CB CYS A 10 -0.471 0.472 -2.159 1.00 0.00 C ATOM 139 SG CYS A 10 1.021 -0.539 -1.921 1.00 0.00 S ATOM 0 H CYS A 10 -1.535 -1.706 -0.590 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.636 0.424 -2.262 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.413 0.943 -3.140 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.463 1.273 -1.420 1.00 0.00 H new ATOM 144 N GLY A 11 -2.508 -2.544 -2.748 1.00 0.00 N ATOM 145 CA GLY A 11 -2.705 -3.692 -3.623 1.00 0.00 C ATOM 146 C GLY A 11 -3.246 -4.878 -2.820 1.00 0.00 C ATOM 147 O GLY A 11 -2.825 -5.121 -1.687 1.00 0.00 O ATOM 0 H GLY A 11 -2.848 -2.707 -1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.401 -3.435 -4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.762 -3.964 -4.097 1.00 0.00 H new ATOM 151 N GLY A 12 -4.187 -5.611 -3.428 1.00 0.00 N ATOM 152 CA GLY A 12 -4.869 -6.755 -2.846 1.00 0.00 C ATOM 153 C GLY A 12 -6.166 -7.063 -3.595 1.00 0.00 C ATOM 154 O GLY A 12 -6.819 -6.153 -4.109 1.00 0.00 O ATOM 0 H GLY A 12 -4.501 -5.408 -4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.214 -7.626 -2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.090 -6.556 -1.797 1.00 0.00 H new ATOM 158 N ILE A 13 -6.550 -8.351 -3.633 1.00 0.00 N ATOM 159 CA ILE A 13 -7.779 -8.839 -4.252 1.00 0.00 C ATOM 160 C ILE A 13 -8.924 -8.647 -3.238 1.00 0.00 C ATOM 161 O ILE A 13 -9.460 -9.612 -2.692 1.00 0.00 O ATOM 162 CB ILE A 13 -7.603 -10.297 -4.752 1.00 0.00 C ATOM 163 CG1 ILE A 13 -6.361 -10.416 -5.667 1.00 0.00 C ATOM 164 CG2 ILE A 13 -8.853 -10.764 -5.526 1.00 0.00 C ATOM 165 CD1 ILE A 13 -6.022 -11.859 -6.068 1.00 0.00 C ATOM 0 H ILE A 13 -5.992 -9.098 -3.219 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.030 -8.271 -5.148 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.466 -10.933 -3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.529 -9.828 -6.569 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.502 -9.979 -5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.708 -11.789 -5.867 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -9.724 -10.719 -4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.012 -10.114 -6.386 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.140 -11.861 -6.709 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.821 -12.448 -5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.863 -12.294 -6.607 1.00 0.00 H new ATOM 177 N GLY A 14 -9.242 -7.377 -2.948 1.00 0.00 N ATOM 178 CA GLY A 14 -10.120 -7.010 -1.808 1.00 0.00 C ATOM 179 C GLY A 14 -10.129 -5.488 -1.639 1.00 0.00 C ATOM 180 O GLY A 14 -11.190 -4.865 -1.654 1.00 0.00 O ATOM 0 H GLY A 14 -8.906 -6.578 -3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.133 -7.373 -1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.765 -7.486 -0.894 1.00 0.00 H new ATOM 184 N TYR A 15 -8.931 -4.906 -1.463 1.00 0.00 N ATOM 185 CA TYR A 15 -8.699 -3.489 -1.194 1.00 0.00 C ATOM 186 C TYR A 15 -9.163 -2.611 -2.364 1.00 0.00 C ATOM 187 O TYR A 15 -8.864 -2.904 -3.522 1.00 0.00 O ATOM 188 CB TYR A 15 -7.204 -3.271 -0.910 1.00 0.00 C ATOM 189 CG TYR A 15 -6.824 -1.855 -0.497 1.00 0.00 C ATOM 190 CD1 TYR A 15 -7.182 -1.369 0.783 1.00 0.00 C ATOM 191 CD2 TYR A 15 -6.100 -1.022 -1.382 1.00 0.00 C ATOM 192 CE1 TYR A 15 -6.836 -0.055 1.168 1.00 0.00 C ATOM 193 CE2 TYR A 15 -5.766 0.294 -1.000 1.00 0.00 C ATOM 194 CZ TYR A 15 -6.171 0.792 0.255 1.00 0.00 C ATOM 195 OH TYR A 15 -5.909 2.090 0.584 1.00 0.00 O ATOM 0 H TYR A 15 -8.063 -5.440 -1.508 1.00 0.00 H new ATOM 0 HA TYR A 15 -9.284 -3.196 -0.322 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.896 -3.958 -0.121 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.638 -3.537 -1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -7.722 -2.006 1.468 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.803 -1.394 -2.351 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.079 0.301 2.158 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.198 0.922 -1.671 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.362 2.501 -0.117 1.00 0.00 H new ATOM 205 N SER A 16 -9.885 -1.527 -2.041 1.00 0.00 N ATOM 206 CA SER A 16 -10.380 -0.527 -2.975 1.00 0.00 C ATOM 207 C SER A 16 -10.127 0.860 -2.371 1.00 0.00 C ATOM 208 O SER A 16 -11.039 1.482 -1.824 1.00 0.00 O ATOM 209 CB SER A 16 -11.867 -0.786 -3.273 1.00 0.00 C ATOM 210 OG SER A 16 -12.043 -2.030 -3.920 1.00 0.00 O ATOM 0 H SER A 16 -10.147 -1.323 -1.077 1.00 0.00 H new ATOM 0 HA SER A 16 -9.857 -0.582 -3.930 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.436 -0.771 -2.343 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.261 0.014 -3.900 1.00 0.00 H new ATOM 0 HG SER A 16 -12.996 -2.174 -4.098 1.00 0.00 H new ATOM 216 N GLY A 17 -8.877 1.337 -2.467 1.00 0.00 N ATOM 217 CA GLY A 17 -8.450 2.635 -1.958 1.00 0.00 C ATOM 218 C GLY A 17 -7.109 3.068 -2.560 1.00 0.00 C ATOM 219 O GLY A 17 -6.639 2.492 -3.542 1.00 0.00 O ATOM 0 H GLY A 17 -8.123 0.814 -2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.209 3.383 -2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.364 2.589 -0.872 1.00 0.00 H new ATOM 223 N CYS A 18 -6.501 4.103 -1.965 1.00 0.00 N ATOM 224 CA CYS A 18 -5.256 4.707 -2.401 1.00 0.00 C ATOM 225 C CYS A 18 -4.068 3.743 -2.493 1.00 0.00 C ATOM 226 O CYS A 18 -3.658 3.161 -1.491 1.00 0.00 O ATOM 227 CB CYS A 18 -4.915 5.947 -1.557 1.00 0.00 C ATOM 228 SG CYS A 18 -5.329 6.074 0.207 1.00 0.00 S ATOM 0 H CYS A 18 -6.886 4.553 -1.135 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.437 5.019 -3.430 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.837 6.090 -1.635 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.386 6.798 -2.049 1.00 0.00 H new ATOM 233 N LYS A 19 -3.478 3.670 -3.697 1.00 0.00 N ATOM 234 CA LYS A 19 -2.156 3.118 -3.954 1.00 0.00 C ATOM 235 C LYS A 19 -1.043 4.122 -3.610 1.00 0.00 C ATOM 236 O LYS A 19 -0.037 3.728 -3.021 1.00 0.00 O ATOM 237 CB LYS A 19 -2.029 2.630 -5.410 1.00 0.00 C ATOM 238 CG LYS A 19 -3.047 1.545 -5.778 1.00 0.00 C ATOM 239 CD LYS A 19 -4.279 2.170 -6.452 1.00 0.00 C ATOM 240 CE LYS A 19 -5.310 1.105 -6.806 1.00 0.00 C ATOM 241 NZ LYS A 19 -5.915 0.514 -5.600 1.00 0.00 N ATOM 0 H LYS A 19 -3.934 4.009 -4.544 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.033 2.256 -3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.154 3.479 -6.082 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.023 2.243 -5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.587 0.819 -6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.351 1.004 -4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.727 2.907 -5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.974 2.700 -7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.090 1.545 -7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.836 0.321 -7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.792 0.019 -5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.249 -0.162 -5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.131 1.267 -4.916 1.00 0.00 H new ATOM 255 N THR A 20 -1.218 5.398 -3.995 1.00 0.00 N ATOM 256 CA THR A 20 -0.238 6.483 -3.908 1.00 0.00 C ATOM 257 C THR A 20 0.226 6.731 -2.460 1.00 0.00 C ATOM 258 O THR A 20 -0.370 7.529 -1.740 1.00 0.00 O ATOM 259 CB THR A 20 -0.837 7.760 -4.547 1.00 0.00 C ATOM 260 OG1 THR A 20 -1.229 7.502 -5.883 1.00 0.00 O ATOM 261 CG2 THR A 20 0.152 8.937 -4.557 1.00 0.00 C ATOM 0 H THR A 20 -2.100 5.713 -4.398 1.00 0.00 H new ATOM 0 HA THR A 20 0.655 6.193 -4.462 1.00 0.00 H new ATOM 0 HB THR A 20 -1.696 8.035 -3.935 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.608 8.316 -6.276 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.321 9.805 -5.016 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.440 9.179 -3.534 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.039 8.662 -5.128 1.00 0.00 H new ATOM 269 N CYS A 21 1.328 6.072 -2.070 1.00 0.00 N ATOM 270 CA CYS A 21 2.070 6.231 -0.813 1.00 0.00 C ATOM 271 C CYS A 21 2.589 7.673 -0.658 1.00 0.00 C ATOM 272 O CYS A 21 2.832 8.352 -1.658 1.00 0.00 O ATOM 273 CB CYS A 21 3.221 5.218 -0.842 1.00 0.00 C ATOM 274 SG CYS A 21 2.700 3.504 -1.122 1.00 0.00 S ATOM 0 H CYS A 21 1.753 5.364 -2.669 1.00 0.00 H new ATOM 0 HA CYS A 21 1.425 6.046 0.046 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.922 5.505 -1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.760 5.272 0.104 1.00 0.00 H new ATOM 279 N THR A 22 2.758 8.152 0.587 1.00 0.00 N ATOM 280 CA THR A 22 3.182 9.525 0.871 1.00 0.00 C ATOM 281 C THR A 22 4.696 9.683 0.641 1.00 0.00 C ATOM 282 O THR A 22 5.399 8.728 0.309 1.00 0.00 O ATOM 283 CB THR A 22 2.724 9.937 2.289 1.00 0.00 C ATOM 284 OG1 THR A 22 2.916 11.325 2.490 1.00 0.00 O ATOM 285 CG2 THR A 22 3.432 9.162 3.407 1.00 0.00 C ATOM 0 H THR A 22 2.602 7.591 1.425 1.00 0.00 H new ATOM 0 HA THR A 22 2.700 10.213 0.176 1.00 0.00 H new ATOM 0 HB THR A 22 1.664 9.689 2.344 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.619 11.569 3.392 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.063 9.501 4.375 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.231 8.097 3.295 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.506 9.337 3.347 1.00 0.00 H new ATOM 293 N SER A 23 5.197 10.911 0.814 1.00 0.00 N ATOM 294 CA SER A 23 6.610 11.258 0.667 1.00 0.00 C ATOM 295 C SER A 23 7.480 10.419 1.618 1.00 0.00 C ATOM 296 O SER A 23 7.226 10.386 2.822 1.00 0.00 O ATOM 297 CB SER A 23 6.813 12.761 0.917 1.00 0.00 C ATOM 298 OG SER A 23 6.071 13.529 -0.009 1.00 0.00 O ATOM 0 H SER A 23 4.614 11.709 1.066 1.00 0.00 H new ATOM 0 HA SER A 23 6.921 11.032 -0.353 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.505 13.010 1.932 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.872 13.008 0.836 1.00 0.00 H new ATOM 0 HG SER A 23 6.213 14.482 0.169 1.00 0.00 H new ATOM 304 N GLY A 24 8.487 9.727 1.061 1.00 0.00 N ATOM 305 CA GLY A 24 9.373 8.810 1.775 1.00 0.00 C ATOM 306 C GLY A 24 8.995 7.330 1.610 1.00 0.00 C ATOM 307 O GLY A 24 9.849 6.466 1.807 1.00 0.00 O ATOM 0 H GLY A 24 8.709 9.797 0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.394 8.956 1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.364 9.062 2.835 1.00 0.00 H new ATOM 311 N THR A 25 7.732 7.038 1.264 1.00 0.00 N ATOM 312 CA THR A 25 7.178 5.690 1.114 1.00 0.00 C ATOM 313 C THR A 25 6.810 5.414 -0.348 1.00 0.00 C ATOM 314 O THR A 25 6.312 6.295 -1.048 1.00 0.00 O ATOM 315 CB THR A 25 5.983 5.484 2.053 1.00 0.00 C ATOM 316 OG1 THR A 25 4.975 6.458 1.870 1.00 0.00 O ATOM 317 CG2 THR A 25 6.472 5.538 3.502 1.00 0.00 C ATOM 0 H THR A 25 7.044 7.766 1.074 1.00 0.00 H new ATOM 0 HA THR A 25 7.943 4.968 1.399 1.00 0.00 H new ATOM 0 HB THR A 25 5.547 4.513 1.821 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.252 7.089 1.173 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.628 5.392 4.176 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.208 4.751 3.667 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.928 6.509 3.696 1.00 0.00 H new ATOM 325 N THR A 26 7.062 4.173 -0.790 1.00 0.00 N ATOM 326 CA THR A 26 6.686 3.630 -2.092 1.00 0.00 C ATOM 327 C THR A 26 5.902 2.326 -1.884 1.00 0.00 C ATOM 328 O THR A 26 6.114 1.620 -0.896 1.00 0.00 O ATOM 329 CB THR A 26 7.935 3.406 -2.968 1.00 0.00 C ATOM 330 OG1 THR A 26 8.802 2.455 -2.377 1.00 0.00 O ATOM 331 CG2 THR A 26 8.702 4.713 -3.225 1.00 0.00 C ATOM 0 H THR A 26 7.559 3.492 -0.216 1.00 0.00 H new ATOM 0 HA THR A 26 6.049 4.342 -2.617 1.00 0.00 H new ATOM 0 HB THR A 26 7.582 3.026 -3.927 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.587 2.327 -2.950 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.574 4.507 -3.846 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.051 5.422 -3.737 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.026 5.138 -2.275 1.00 0.00 H new ATOM 339 N CYS A 27 4.997 2.003 -2.819 1.00 0.00 N ATOM 340 CA CYS A 27 4.154 0.815 -2.740 1.00 0.00 C ATOM 341 C CYS A 27 5.020 -0.437 -2.936 1.00 0.00 C ATOM 342 O CYS A 27 5.475 -0.718 -4.045 1.00 0.00 O ATOM 343 CB CYS A 27 2.989 0.913 -3.739 1.00 0.00 C ATOM 344 SG CYS A 27 1.905 -0.546 -3.765 1.00 0.00 S ATOM 0 H CYS A 27 4.833 2.566 -3.654 1.00 0.00 H new ATOM 0 HA CYS A 27 3.698 0.741 -1.753 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.391 1.792 -3.498 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.395 1.068 -4.739 1.00 0.00 H new ATOM 349 N GLN A 28 5.246 -1.165 -1.833 1.00 0.00 N ATOM 350 CA GLN A 28 6.047 -2.381 -1.736 1.00 0.00 C ATOM 351 C GLN A 28 5.150 -3.618 -1.612 1.00 0.00 C ATOM 352 O GLN A 28 3.927 -3.517 -1.550 1.00 0.00 O ATOM 353 CB GLN A 28 7.014 -2.285 -0.534 1.00 0.00 C ATOM 354 CG GLN A 28 8.299 -1.468 -0.751 1.00 0.00 C ATOM 355 CD GLN A 28 8.915 -1.605 -2.147 1.00 0.00 C ATOM 356 OE1 GLN A 28 9.688 -2.526 -2.404 1.00 0.00 O ATOM 357 NE2 GLN A 28 8.574 -0.684 -3.053 1.00 0.00 N ATOM 0 H GLN A 28 4.847 -0.899 -0.933 1.00 0.00 H new ATOM 0 HA GLN A 28 6.633 -2.483 -2.649 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.472 -1.851 0.306 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.298 -3.296 -0.243 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.080 -0.416 -0.567 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.038 -1.775 -0.011 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.929 0.065 -2.801 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.958 -0.730 -3.997 1.00 0.00 H new ATOM 366 N TYR A 29 5.795 -4.792 -1.607 1.00 0.00 N ATOM 367 CA TYR A 29 5.163 -6.103 -1.742 1.00 0.00 C ATOM 368 C TYR A 29 5.688 -7.063 -0.667 1.00 0.00 C ATOM 369 O TYR A 29 6.898 -7.133 -0.446 1.00 0.00 O ATOM 370 CB TYR A 29 5.461 -6.634 -3.155 1.00 0.00 C ATOM 371 CG TYR A 29 4.766 -7.939 -3.515 1.00 0.00 C ATOM 372 CD1 TYR A 29 5.375 -9.176 -3.203 1.00 0.00 C ATOM 373 CD2 TYR A 29 3.536 -7.921 -4.211 1.00 0.00 C ATOM 374 CE1 TYR A 29 4.753 -10.387 -3.576 1.00 0.00 C ATOM 375 CE2 TYR A 29 2.930 -9.131 -4.609 1.00 0.00 C ATOM 376 CZ TYR A 29 3.536 -10.366 -4.289 1.00 0.00 C ATOM 377 OH TYR A 29 2.956 -11.541 -4.672 1.00 0.00 O ATOM 0 H TYR A 29 6.808 -4.853 -1.505 1.00 0.00 H new ATOM 0 HA TYR A 29 4.085 -6.021 -1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.171 -5.874 -3.880 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.537 -6.775 -3.254 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.319 -9.195 -2.678 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.059 -6.979 -4.439 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.209 -11.331 -3.315 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.001 -9.113 -5.159 1.00 0.00 H new ATOM 0 HH TYR A 29 2.123 -11.353 -5.153 1.00 0.00 H new ATOM 387 N SER A 30 4.783 -7.832 -0.038 1.00 0.00 N ATOM 388 CA SER A 30 5.109 -8.955 0.833 1.00 0.00 C ATOM 389 C SER A 30 4.539 -10.217 0.174 1.00 0.00 C ATOM 390 O SER A 30 5.281 -10.966 -0.461 1.00 0.00 O ATOM 391 CB SER A 30 4.563 -8.705 2.251 1.00 0.00 C ATOM 392 OG SER A 30 5.199 -7.590 2.840 1.00 0.00 O ATOM 0 H SER A 30 3.779 -7.678 -0.129 1.00 0.00 H new ATOM 0 HA SER A 30 6.185 -9.079 0.953 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.487 -8.536 2.207 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.722 -9.589 2.869 1.00 0.00 H new ATOM 0 HG SER A 30 4.838 -7.445 3.740 1.00 0.00 H new ATOM 398 N ASN A 31 3.224 -10.438 0.322 1.00 0.00 N ATOM 399 CA ASN A 31 2.431 -11.423 -0.417 1.00 0.00 C ATOM 400 C ASN A 31 1.513 -10.745 -1.453 1.00 0.00 C ATOM 401 O ASN A 31 1.476 -9.517 -1.557 1.00 0.00 O ATOM 402 CB ASN A 31 1.741 -12.395 0.554 1.00 0.00 C ATOM 403 CG ASN A 31 0.734 -11.695 1.455 1.00 0.00 C ATOM 404 OD1 ASN A 31 -0.485 -11.528 0.950 1.00 0.00 O flip ATOM 405 ND2 ASN A 31 1.052 -11.303 2.577 1.00 0.00 N flip ATOM 0 H ASN A 31 2.663 -9.910 0.990 1.00 0.00 H new ATOM 0 HA ASN A 31 3.087 -12.049 -1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.235 -13.175 -0.015 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.495 -12.887 1.169 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.000 -11.455 2.920 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.367 -10.826 3.164 1.00 0.00 H new ATOM 412 N ASP A 32 0.778 -11.554 -2.233 1.00 0.00 N ATOM 413 CA ASP A 32 -0.081 -11.103 -3.330 1.00 0.00 C ATOM 414 C ASP A 32 -1.255 -10.235 -2.850 1.00 0.00 C ATOM 415 O ASP A 32 -1.542 -9.201 -3.455 1.00 0.00 O ATOM 416 CB ASP A 32 -0.546 -12.299 -4.182 1.00 0.00 C ATOM 417 CG ASP A 32 -1.528 -13.222 -3.455 1.00 0.00 C ATOM 418 OD1 ASP A 32 -1.118 -13.961 -2.562 1.00 0.00 O ATOM 419 OD2 ASP A 32 -2.828 -13.150 -3.862 1.00 0.00 O ATOM 0 H ASP A 32 0.767 -12.567 -2.111 1.00 0.00 H new ATOM 0 HA ASP A 32 0.519 -10.452 -3.966 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.016 -11.926 -5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.326 -12.878 -4.488 1.00 0.00 H new ATOM 425 N TYR A 33 -1.923 -10.648 -1.763 1.00 0.00 N ATOM 426 CA TYR A 33 -3.057 -9.943 -1.175 1.00 0.00 C ATOM 427 C TYR A 33 -2.618 -8.671 -0.430 1.00 0.00 C ATOM 428 O TYR A 33 -3.414 -7.740 -0.326 1.00 0.00 O ATOM 429 CB TYR A 33 -3.849 -10.873 -0.234 1.00 0.00 C ATOM 430 CG TYR A 33 -4.361 -12.153 -0.875 1.00 0.00 C ATOM 431 CD1 TYR A 33 -5.492 -12.116 -1.721 1.00 0.00 C ATOM 432 CD2 TYR A 33 -3.725 -13.388 -0.610 1.00 0.00 C ATOM 433 CE1 TYR A 33 -5.996 -13.307 -2.284 1.00 0.00 C ATOM 434 CE2 TYR A 33 -4.228 -14.580 -1.174 1.00 0.00 C ATOM 435 CZ TYR A 33 -5.363 -14.541 -2.013 1.00 0.00 C ATOM 436 OH TYR A 33 -5.844 -15.695 -2.561 1.00 0.00 O ATOM 0 H TYR A 33 -1.679 -11.502 -1.261 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.707 -9.636 -1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.213 -11.137 0.611 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.699 -10.321 0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.972 -11.173 -1.937 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.852 -13.419 0.025 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.866 -13.276 -2.923 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.744 -15.523 -0.964 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.290 -16.450 -2.272 1.00 0.00 H new ATOM 446 N TYR A 34 -1.393 -8.641 0.123 1.00 0.00 N ATOM 447 CA TYR A 34 -0.879 -7.559 0.956 1.00 0.00 C ATOM 448 C TYR A 34 0.287 -6.853 0.252 1.00 0.00 C ATOM 449 O TYR A 34 1.448 -7.198 0.478 1.00 0.00 O ATOM 450 CB TYR A 34 -0.495 -8.129 2.339 1.00 0.00 C ATOM 451 CG TYR A 34 -0.228 -7.084 3.413 1.00 0.00 C ATOM 452 CD1 TYR A 34 -1.276 -6.234 3.840 1.00 0.00 C ATOM 453 CD2 TYR A 34 1.015 -7.048 4.085 1.00 0.00 C ATOM 454 CE1 TYR A 34 -1.093 -5.384 4.950 1.00 0.00 C ATOM 455 CE2 TYR A 34 1.193 -6.207 5.204 1.00 0.00 C ATOM 456 CZ TYR A 34 0.129 -5.398 5.656 1.00 0.00 C ATOM 457 OH TYR A 34 0.277 -4.644 6.785 1.00 0.00 O ATOM 0 H TYR A 34 -0.719 -9.396 -0.006 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.645 -6.800 1.113 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.297 -8.783 2.681 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.395 -8.748 2.226 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.219 -6.236 3.314 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.831 -7.666 3.741 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.888 -4.722 5.260 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.144 -6.183 5.715 1.00 0.00 H new ATOM 0 HH TYR A 34 1.218 -4.389 6.887 1.00 0.00 H new ATOM 467 N SER A 35 -0.032 -5.837 -0.567 1.00 0.00 N ATOM 468 CA SER A 35 0.929 -4.848 -1.062 1.00 0.00 C ATOM 469 C SER A 35 0.762 -3.590 -0.192 1.00 0.00 C ATOM 470 O SER A 35 -0.363 -3.119 -0.039 1.00 0.00 O ATOM 471 CB SER A 35 0.674 -4.550 -2.552 1.00 0.00 C ATOM 472 OG SER A 35 1.655 -3.689 -3.081 1.00 0.00 O ATOM 0 H SER A 35 -0.981 -5.681 -0.907 1.00 0.00 H new ATOM 0 HA SER A 35 1.952 -5.218 -0.992 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.666 -5.483 -3.115 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.311 -4.098 -2.670 1.00 0.00 H new ATOM 0 HG SER A 35 2.489 -3.795 -2.578 1.00 0.00 H new ATOM 478 N GLN A 36 1.850 -3.072 0.406 1.00 0.00 N ATOM 479 CA GLN A 36 1.813 -2.036 1.446 1.00 0.00 C ATOM 480 C GLN A 36 2.853 -0.930 1.205 1.00 0.00 C ATOM 481 O GLN A 36 3.956 -1.200 0.736 1.00 0.00 O ATOM 482 CB GLN A 36 2.030 -2.701 2.817 1.00 0.00 C ATOM 483 CG GLN A 36 1.833 -1.711 3.978 1.00 0.00 C ATOM 484 CD GLN A 36 1.994 -2.361 5.353 1.00 0.00 C ATOM 485 OE1 GLN A 36 2.726 -3.337 5.508 1.00 0.00 O ATOM 486 NE2 GLN A 36 1.316 -1.815 6.365 1.00 0.00 N ATOM 0 H GLN A 36 2.797 -3.370 0.173 1.00 0.00 H new ATOM 0 HA GLN A 36 0.837 -1.552 1.416 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.336 -3.534 2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.037 -3.117 2.863 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.552 -0.898 3.880 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.840 -1.268 3.906 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.718 -1.005 6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.396 -2.207 7.303 1.00 0.00 H new ATOM 495 N CYS A 37 2.502 0.311 1.581 1.00 0.00 N ATOM 496 CA CYS A 37 3.355 1.498 1.535 1.00 0.00 C ATOM 497 C CYS A 37 4.482 1.419 2.568 1.00 0.00 C ATOM 498 O CYS A 37 4.209 1.321 3.762 1.00 0.00 O ATOM 499 CB CYS A 37 2.497 2.751 1.764 1.00 0.00 C ATOM 500 SG CYS A 37 1.389 3.135 0.386 1.00 0.00 S ATOM 0 H CYS A 37 1.571 0.518 1.942 1.00 0.00 H new ATOM 0 HA CYS A 37 3.822 1.553 0.551 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.904 2.614 2.668 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.154 3.603 1.939 1.00 0.00 H new ATOM 505 N LEU A 38 5.739 1.467 2.097 1.00 0.00 N ATOM 506 CA LEU A 38 6.960 1.292 2.883 1.00 0.00 C ATOM 507 C LEU A 38 8.097 2.121 2.266 1.00 0.00 C ATOM 508 O LEU A 38 8.811 2.785 3.050 1.00 0.00 O ATOM 509 CB LEU A 38 7.359 -0.198 2.946 1.00 0.00 C ATOM 510 CG LEU A 38 6.348 -1.123 3.656 1.00 0.00 C ATOM 511 CD1 LEU A 38 6.807 -2.586 3.546 1.00 0.00 C ATOM 512 CD2 LEU A 38 6.182 -0.766 5.143 1.00 0.00 C ATOM 513 OXT LEU A 38 8.256 2.065 1.026 1.00 0.00 O ATOM 0 H LEU A 38 5.935 1.637 1.111 1.00 0.00 H new ATOM 0 HA LEU A 38 6.775 1.638 3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.506 -0.561 1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.319 -0.279 3.455 1.00 0.00 H new ATOM 0 HG LEU A 38 5.386 -0.986 3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.088 -3.232 4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.874 -2.868 2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.785 -2.697 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.461 -1.443 5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.142 -0.861 5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.824 0.260 5.233 1.00 0.00 H new TER 525 LEU A 38