USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 265 hydrogens (11 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 NoAdj-H: A 37 TYC H0 : A 37 TYC N : A 36 THR C :(H bumps) USER MOD NoAdj-H: A 37 TYC H : A 37 TYC N : A 36 THR C :(H bumps) USER MOD Set 1.1: A 20 SER OG : rot 180:sc= 0.00429 USER MOD Set 1.2: A 21 ASN : amide:sc= 0 X(o=0.0043,f=0.26) USER MOD Single : A 1 LYS N :NH3+ -107:sc= 0.0524 (180deg=-0.00334) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0436 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -105:sc= 1.3 USER MOD Single : A 10 GLN : amide:sc=-0.00297 X(o=-0.003,f=-0.3) USER MOD Single : A 14 ASN : amide:sc= -1.75! K(o=-1.8!,f=-0.75) USER MOD Single : A 18 HIS : no HD1:sc= -0.507 X(o=-0.51,f=-0.039) USER MOD Single : A 19 SER OG : rot -159:sc= 0.015 USER MOD Single : A 22 ASN : amide:sc= -1! K(o=-1!,f=-0.17) USER MOD Single : A 28 SER OG : rot 180:sc= -0.307 USER MOD Single : A 29 SER OG : rot 71:sc= 0.679 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 31 ASN : amide:sc= 0.638 K(o=0.64,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0701 X(o=-0.07,f=-0.26!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.205 USER MOD Single : A 37 TYC OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 10.431 4.099 8.925 1.00 0.00 N ATOM 2 CA LYS A 1 9.894 4.759 7.746 1.00 0.00 C ATOM 3 C LYS A 1 10.906 5.690 7.130 1.00 0.00 C ATOM 4 O LYS A 1 11.811 6.204 7.813 1.00 0.00 O ATOM 5 CB LYS A 1 8.602 5.504 8.046 1.00 0.00 C ATOM 6 CG LYS A 1 7.417 4.598 8.336 1.00 0.00 C ATOM 7 CD LYS A 1 6.148 5.395 8.573 1.00 0.00 C ATOM 8 CE LYS A 1 5.767 6.226 7.348 1.00 0.00 C ATOM 9 NZ LYS A 1 4.524 6.989 7.553 1.00 0.00 N ATOM 0 H1 LYS A 1 10.629 3.102 8.705 1.00 0.00 H new ATOM 0 H2 LYS A 1 11.311 4.570 9.216 1.00 0.00 H new ATOM 0 H3 LYS A 1 9.738 4.152 9.698 1.00 0.00 H new ATOM 0 HA LYS A 1 9.664 3.974 7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 1 8.763 6.159 8.902 1.00 0.00 H new ATOM 0 HB3 LYS A 1 8.358 6.143 7.197 1.00 0.00 H new ATOM 0 HG2 LYS A 1 7.267 3.915 7.500 1.00 0.00 H new ATOM 0 HG3 LYS A 1 7.632 3.986 9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 1 5.332 4.716 8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 1 6.286 6.053 9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 1 6.578 6.915 7.113 1.00 0.00 H new ATOM 0 HE3 LYS A 1 5.648 5.567 6.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 4.307 7.536 6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 3.742 6.332 7.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 4.644 7.638 8.357 1.00 0.00 H new ATOM 25 N CYS A 2 10.752 5.906 5.856 1.00 0.00 N ATOM 26 CA CYS A 2 11.646 6.708 5.068 1.00 0.00 C ATOM 27 C CYS A 2 10.889 7.243 3.865 1.00 0.00 C ATOM 28 O CYS A 2 9.775 6.786 3.598 1.00 0.00 O ATOM 29 CB CYS A 2 12.821 5.857 4.647 1.00 0.00 C ATOM 30 SG CYS A 2 12.356 4.255 3.955 1.00 0.00 S ATOM 0 H CYS A 2 9.977 5.517 5.319 1.00 0.00 H new ATOM 0 HA CYS A 2 12.023 7.554 5.642 1.00 0.00 H new ATOM 0 HB2 CYS A 2 13.407 6.404 3.908 1.00 0.00 H new ATOM 0 HB3 CYS A 2 13.467 5.695 5.510 1.00 0.00 H new ATOM 35 N ASN A 3 11.462 8.187 3.128 1.00 0.00 N ATOM 36 CA ASN A 3 10.721 8.807 2.023 1.00 0.00 C ATOM 37 C ASN A 3 11.613 9.141 0.835 1.00 0.00 C ATOM 38 O ASN A 3 11.209 9.866 -0.069 1.00 0.00 O ATOM 39 CB ASN A 3 9.978 10.073 2.491 1.00 0.00 C ATOM 40 CG ASN A 3 10.896 11.225 2.848 1.00 0.00 C ATOM 41 OD1 ASN A 3 11.223 12.053 2.009 1.00 0.00 O ATOM 42 ND2 ASN A 3 11.303 11.295 4.082 1.00 0.00 N ATOM 0 H ASN A 3 12.411 8.536 3.265 1.00 0.00 H new ATOM 0 HA ASN A 3 9.993 8.066 1.692 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.296 10.395 1.704 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.368 9.825 3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.914 12.057 4.375 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.011 10.587 4.756 1.00 0.00 H new ATOM 49 N THR A 4 12.764 8.543 0.770 1.00 0.00 N ATOM 50 CA THR A 4 13.665 8.825 -0.321 1.00 0.00 C ATOM 51 C THR A 4 13.515 7.736 -1.368 1.00 0.00 C ATOM 52 O THR A 4 13.026 6.647 -1.064 1.00 0.00 O ATOM 53 CB THR A 4 15.154 8.905 0.163 1.00 0.00 C ATOM 54 OG1 THR A 4 16.027 9.112 -0.939 1.00 0.00 O ATOM 55 CG2 THR A 4 15.575 7.641 0.890 1.00 0.00 C ATOM 0 H THR A 4 13.105 7.862 1.449 1.00 0.00 H new ATOM 0 HA THR A 4 13.410 9.797 -0.744 1.00 0.00 H new ATOM 0 HB THR A 4 15.220 9.746 0.853 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.952 9.161 -0.619 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.613 7.734 1.210 1.00 0.00 H new ATOM 0 HG22 THR A 4 14.938 7.494 1.762 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.477 6.786 0.220 1.00 0.00 H new ATOM 63 N ALA A 5 13.949 8.017 -2.575 1.00 0.00 N ATOM 64 CA ALA A 5 13.826 7.111 -3.719 1.00 0.00 C ATOM 65 C ALA A 5 14.625 5.844 -3.491 1.00 0.00 C ATOM 66 O ALA A 5 14.382 4.820 -4.102 1.00 0.00 O ATOM 67 CB ALA A 5 14.291 7.803 -4.988 1.00 0.00 C ATOM 0 H ALA A 5 14.409 8.898 -2.805 1.00 0.00 H new ATOM 0 HA ALA A 5 12.776 6.839 -3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 5 14.195 7.119 -5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 5 13.679 8.687 -5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.334 8.100 -4.879 1.00 0.00 H new ATOM 73 N THR A 6 15.559 5.923 -2.597 1.00 0.00 N ATOM 74 CA THR A 6 16.378 4.805 -2.250 1.00 0.00 C ATOM 75 C THR A 6 15.659 3.890 -1.217 1.00 0.00 C ATOM 76 O THR A 6 16.017 2.729 -1.031 1.00 0.00 O ATOM 77 CB THR A 6 17.686 5.348 -1.638 1.00 0.00 C ATOM 78 OG1 THR A 6 18.273 6.294 -2.549 1.00 0.00 O ATOM 79 CG2 THR A 6 18.668 4.231 -1.347 1.00 0.00 C ATOM 0 H THR A 6 15.777 6.776 -2.081 1.00 0.00 H new ATOM 0 HA THR A 6 16.582 4.210 -3.140 1.00 0.00 H new ATOM 0 HB THR A 6 17.451 5.835 -0.692 1.00 0.00 H new ATOM 0 HG1 THR A 6 19.104 6.645 -2.166 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.578 4.649 -0.917 1.00 0.00 H new ATOM 0 HG22 THR A 6 18.222 3.529 -0.642 1.00 0.00 H new ATOM 0 HG23 THR A 6 18.911 3.710 -2.273 1.00 0.00 H new ATOM 87 N CYS A 7 14.607 4.386 -0.606 1.00 0.00 N ATOM 88 CA CYS A 7 14.056 3.690 0.534 1.00 0.00 C ATOM 89 C CYS A 7 12.575 3.504 0.452 1.00 0.00 C ATOM 90 O CYS A 7 12.066 2.434 0.745 1.00 0.00 O ATOM 91 CB CYS A 7 14.357 4.474 1.739 1.00 0.00 C ATOM 92 SG CYS A 7 14.113 3.560 3.283 1.00 0.00 S ATOM 0 H CYS A 7 14.126 5.246 -0.870 1.00 0.00 H new ATOM 0 HA CYS A 7 14.506 2.698 0.560 1.00 0.00 H new ATOM 0 HB2 CYS A 7 15.391 4.817 1.690 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.726 5.363 1.750 1.00 0.00 H new ATOM 97 N ALA A 8 11.866 4.537 0.043 1.00 0.00 N ATOM 98 CA ALA A 8 10.427 4.473 -0.046 1.00 0.00 C ATOM 99 C ALA A 8 10.039 3.456 -1.091 1.00 0.00 C ATOM 100 O ALA A 8 8.965 2.881 -1.046 1.00 0.00 O ATOM 101 CB ALA A 8 9.854 5.830 -0.367 1.00 0.00 C ATOM 0 H ALA A 8 12.268 5.433 -0.233 1.00 0.00 H new ATOM 0 HA ALA A 8 10.017 4.165 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.768 5.761 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.128 6.535 0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.251 6.176 -1.321 1.00 0.00 H new ATOM 107 N THR A 9 10.957 3.221 -2.003 1.00 0.00 N ATOM 108 CA THR A 9 10.801 2.219 -3.042 1.00 0.00 C ATOM 109 C THR A 9 10.829 0.806 -2.445 1.00 0.00 C ATOM 110 O THR A 9 10.156 -0.111 -2.910 1.00 0.00 O ATOM 111 CB THR A 9 11.893 2.380 -4.072 1.00 0.00 C ATOM 112 OG1 THR A 9 13.140 2.581 -3.369 1.00 0.00 O ATOM 113 CG2 THR A 9 11.603 3.574 -4.963 1.00 0.00 C ATOM 0 H THR A 9 11.843 3.724 -2.047 1.00 0.00 H new ATOM 0 HA THR A 9 9.833 2.361 -3.524 1.00 0.00 H new ATOM 0 HB THR A 9 11.949 1.492 -4.702 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.404 3.523 -3.434 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.398 3.679 -5.701 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.651 3.425 -5.473 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.551 4.477 -4.355 1.00 0.00 H new ATOM 121 N GLN A 10 11.600 0.667 -1.402 1.00 0.00 N ATOM 122 CA GLN A 10 11.754 -0.581 -0.672 1.00 0.00 C ATOM 123 C GLN A 10 10.502 -0.785 0.126 1.00 0.00 C ATOM 124 O GLN A 10 9.980 -1.875 0.230 1.00 0.00 O ATOM 125 CB GLN A 10 12.955 -0.507 0.283 1.00 0.00 C ATOM 126 CG GLN A 10 14.233 -0.020 -0.363 1.00 0.00 C ATOM 127 CD GLN A 10 14.685 -0.865 -1.523 1.00 0.00 C ATOM 128 OE1 GLN A 10 14.472 -2.074 -1.566 1.00 0.00 O ATOM 129 NE2 GLN A 10 15.266 -0.231 -2.482 1.00 0.00 N ATOM 0 H GLN A 10 12.156 1.432 -1.019 1.00 0.00 H new ATOM 0 HA GLN A 10 11.924 -1.403 -1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.705 0.155 1.112 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.129 -1.496 0.706 1.00 0.00 H new ATOM 0 HG2 GLN A 10 14.089 1.005 -0.706 1.00 0.00 H new ATOM 0 HG3 GLN A 10 15.023 0.003 0.388 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.424 0.774 -2.407 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.568 -0.734 -3.317 1.00 0.00 H new ATOM 138 N ARG A 11 9.998 0.314 0.656 1.00 0.00 N ATOM 139 CA ARG A 11 8.754 0.307 1.421 1.00 0.00 C ATOM 140 C ARG A 11 7.611 -0.057 0.496 1.00 0.00 C ATOM 141 O ARG A 11 6.654 -0.701 0.902 1.00 0.00 O ATOM 142 CB ARG A 11 8.466 1.666 2.060 1.00 0.00 C ATOM 143 CG ARG A 11 9.610 2.271 2.865 1.00 0.00 C ATOM 144 CD ARG A 11 10.188 1.307 3.875 1.00 0.00 C ATOM 145 NE ARG A 11 9.176 0.702 4.752 1.00 0.00 N ATOM 146 CZ ARG A 11 9.219 -0.572 5.180 1.00 0.00 C ATOM 147 NH1 ARG A 11 10.252 -1.349 4.848 1.00 0.00 N ATOM 148 NH2 ARG A 11 8.240 -1.059 5.940 1.00 0.00 N ATOM 0 H ARG A 11 10.432 1.233 0.572 1.00 0.00 H new ATOM 0 HA ARG A 11 8.856 -0.424 2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.190 2.367 1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.600 1.564 2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.398 2.592 2.184 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.253 3.162 3.382 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.720 0.516 3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.922 1.831 4.487 1.00 0.00 H new ATOM 0 HE ARG A 11 8.394 1.283 5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.006 -0.976 4.271 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.288 -2.316 5.171 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.453 -0.465 6.200 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.277 -2.026 6.262 1.00 0.00 H new ATOM 162 N LEU A 12 7.729 0.381 -0.747 1.00 0.00 N ATOM 163 CA LEU A 12 6.814 0.033 -1.800 1.00 0.00 C ATOM 164 C LEU A 12 6.880 -1.447 -2.063 1.00 0.00 C ATOM 165 O LEU A 12 5.866 -2.098 -2.205 1.00 0.00 O ATOM 166 CB LEU A 12 7.189 0.794 -3.063 1.00 0.00 C ATOM 167 CG LEU A 12 6.768 2.269 -3.144 1.00 0.00 C ATOM 168 CD1 LEU A 12 7.198 2.883 -4.464 1.00 0.00 C ATOM 169 CD2 LEU A 12 5.260 2.413 -2.963 1.00 0.00 C ATOM 0 H LEU A 12 8.481 1.000 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 12 5.799 0.297 -1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.272 0.745 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.754 0.271 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 12 7.267 2.803 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.889 3.928 -4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.282 2.823 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.732 2.340 -5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.985 3.466 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.745 1.857 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.971 2.019 -1.989 1.00 0.00 H new ATOM 181 N ALA A 13 8.087 -1.981 -2.055 1.00 0.00 N ATOM 182 CA ALA A 13 8.295 -3.393 -2.276 1.00 0.00 C ATOM 183 C ALA A 13 7.694 -4.203 -1.122 1.00 0.00 C ATOM 184 O ALA A 13 7.143 -5.262 -1.316 1.00 0.00 O ATOM 185 CB ALA A 13 9.774 -3.712 -2.458 1.00 0.00 C ATOM 0 H ALA A 13 8.943 -1.450 -1.896 1.00 0.00 H new ATOM 0 HA ALA A 13 7.786 -3.674 -3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.898 -4.782 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.161 -3.166 -3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.323 -3.416 -1.564 1.00 0.00 H new ATOM 191 N ASN A 14 7.760 -3.641 0.072 1.00 0.00 N ATOM 192 CA ASN A 14 7.203 -4.277 1.283 1.00 0.00 C ATOM 193 C ASN A 14 5.708 -4.086 1.344 1.00 0.00 C ATOM 194 O ASN A 14 5.037 -4.685 2.173 1.00 0.00 O ATOM 195 CB ASN A 14 7.810 -3.721 2.588 1.00 0.00 C ATOM 196 CG ASN A 14 9.280 -4.060 2.841 1.00 0.00 C ATOM 197 OD1 ASN A 14 9.719 -4.157 3.991 1.00 0.00 O ATOM 198 ND2 ASN A 14 10.039 -4.221 1.808 1.00 0.00 N ATOM 0 H ASN A 14 8.196 -2.735 0.244 1.00 0.00 H new ATOM 0 HA ASN A 14 7.457 -5.334 1.207 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.704 -2.636 2.582 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.222 -4.094 3.427 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.029 -4.434 1.931 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.648 -4.135 0.870 1.00 0.00 H new ATOM 205 N PHE A 15 5.181 -3.289 0.458 1.00 0.00 N ATOM 206 CA PHE A 15 3.803 -2.961 0.481 1.00 0.00 C ATOM 207 C PHE A 15 3.054 -3.994 -0.302 1.00 0.00 C ATOM 208 O PHE A 15 1.852 -4.188 -0.112 1.00 0.00 O ATOM 209 CB PHE A 15 3.613 -1.524 -0.081 1.00 0.00 C ATOM 210 CG PHE A 15 2.461 -1.333 -1.045 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.186 -1.052 -0.593 1.00 0.00 C ATOM 212 CD2 PHE A 15 2.673 -1.443 -2.410 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.142 -0.888 -1.483 1.00 0.00 C ATOM 214 CE2 PHE A 15 1.641 -1.280 -3.301 1.00 0.00 C ATOM 215 CZ PHE A 15 0.371 -1.002 -2.838 1.00 0.00 C ATOM 0 H PHE A 15 5.706 -2.852 -0.299 1.00 0.00 H new ATOM 0 HA PHE A 15 3.408 -2.964 1.497 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.474 -0.843 0.759 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.534 -1.228 -0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.003 -0.960 0.467 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.665 -1.660 -2.779 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.851 -0.671 -1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.823 -1.369 -4.362 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.443 -0.874 -3.536 1.00 0.00 H new ATOM 225 N LEU A 16 3.787 -4.682 -1.148 1.00 0.00 N ATOM 226 CA LEU A 16 3.226 -5.609 -2.018 1.00 0.00 C ATOM 227 C LEU A 16 4.093 -6.891 -2.066 1.00 0.00 C ATOM 228 O LEU A 16 4.103 -7.639 -3.047 1.00 0.00 O ATOM 229 CB LEU A 16 3.106 -4.901 -3.362 1.00 0.00 C ATOM 230 CG LEU A 16 4.163 -5.092 -4.477 1.00 0.00 C ATOM 231 CD1 LEU A 16 3.713 -4.377 -5.733 1.00 0.00 C ATOM 232 CD2 LEU A 16 5.519 -4.574 -4.070 1.00 0.00 C ATOM 0 H LEU A 16 4.800 -4.590 -1.228 1.00 0.00 H new ATOM 0 HA LEU A 16 2.240 -5.947 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.144 -5.188 -3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.056 -3.832 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 16 4.255 -6.163 -4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.459 -4.513 -6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.760 -4.789 -6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.596 -3.314 -5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.227 -4.730 -4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.450 -3.509 -3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.862 -5.108 -3.184 1.00 0.00 H new ATOM 244 N VAL A 17 4.745 -7.169 -0.956 1.00 0.00 N ATOM 245 CA VAL A 17 5.707 -8.251 -0.877 1.00 0.00 C ATOM 246 C VAL A 17 5.029 -9.577 -0.556 1.00 0.00 C ATOM 247 O VAL A 17 5.375 -10.619 -1.102 1.00 0.00 O ATOM 248 CB VAL A 17 6.838 -7.925 0.152 1.00 0.00 C ATOM 249 CG1 VAL A 17 6.293 -7.729 1.557 1.00 0.00 C ATOM 250 CG2 VAL A 17 7.932 -8.970 0.140 1.00 0.00 C ATOM 0 H VAL A 17 4.624 -6.653 -0.084 1.00 0.00 H new ATOM 0 HA VAL A 17 6.171 -8.353 -1.858 1.00 0.00 H new ATOM 0 HB VAL A 17 7.278 -6.980 -0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.114 -7.505 2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.583 -6.902 1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.790 -8.640 1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.697 -8.704 0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.510 -9.942 0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.379 -9.018 -0.853 1.00 0.00 H new ATOM 260 N HIS A 18 4.079 -9.527 0.327 1.00 0.00 N ATOM 261 CA HIS A 18 3.337 -10.676 0.714 1.00 0.00 C ATOM 262 C HIS A 18 1.948 -10.222 1.083 1.00 0.00 C ATOM 263 O HIS A 18 1.200 -10.899 1.797 1.00 0.00 O ATOM 264 CB HIS A 18 4.024 -11.364 1.903 1.00 0.00 C ATOM 265 CG HIS A 18 3.912 -10.703 3.269 1.00 0.00 C ATOM 266 ND1 HIS A 18 3.753 -11.418 4.433 1.00 0.00 N ATOM 267 CD2 HIS A 18 3.953 -9.410 3.639 1.00 0.00 C ATOM 268 CE1 HIS A 18 3.699 -10.593 5.450 1.00 0.00 C ATOM 269 NE2 HIS A 18 3.819 -9.373 4.995 1.00 0.00 N ATOM 0 H HIS A 18 3.797 -8.670 0.804 1.00 0.00 H new ATOM 0 HA HIS A 18 3.285 -11.398 -0.101 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.619 -12.373 1.985 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.083 -11.464 1.665 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.070 -8.560 2.984 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.576 -10.873 6.486 1.00 0.00 H new ATOM 0 HE2 HIS A 18 3.813 -8.527 5.565 1.00 0.00 H new ATOM 278 N SER A 19 1.610 -9.103 0.563 1.00 0.00 N ATOM 279 CA SER A 19 0.447 -8.416 0.949 1.00 0.00 C ATOM 280 C SER A 19 -0.723 -8.810 0.080 1.00 0.00 C ATOM 281 O SER A 19 -0.760 -8.537 -1.122 1.00 0.00 O ATOM 282 CB SER A 19 0.736 -6.959 0.837 1.00 0.00 C ATOM 283 OG SER A 19 2.043 -6.690 1.374 1.00 0.00 O ATOM 0 H SER A 19 2.151 -8.631 -0.161 1.00 0.00 H new ATOM 0 HA SER A 19 0.174 -8.669 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.688 -6.646 -0.206 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.017 -6.385 1.377 1.00 0.00 H new ATOM 0 HG SER A 19 2.110 -5.742 1.612 1.00 0.00 H new ATOM 289 N SER A 20 -1.627 -9.483 0.677 1.00 0.00 N ATOM 290 CA SER A 20 -2.823 -9.924 0.052 1.00 0.00 C ATOM 291 C SER A 20 -4.042 -9.396 0.818 1.00 0.00 C ATOM 292 O SER A 20 -5.169 -9.378 0.322 1.00 0.00 O ATOM 293 CB SER A 20 -2.800 -11.435 0.044 1.00 0.00 C ATOM 294 OG SER A 20 -2.295 -11.930 1.293 1.00 0.00 O ATOM 0 H SER A 20 -1.557 -9.757 1.657 1.00 0.00 H new ATOM 0 HA SER A 20 -2.892 -9.547 -0.969 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.805 -11.820 -0.129 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.177 -11.792 -0.776 1.00 0.00 H new ATOM 0 HG SER A 20 -2.286 -12.910 1.277 1.00 0.00 H new ATOM 300 N ASN A 21 -3.789 -8.945 2.014 1.00 0.00 N ATOM 301 CA ASN A 21 -4.818 -8.462 2.906 1.00 0.00 C ATOM 302 C ASN A 21 -4.395 -7.160 3.526 1.00 0.00 C ATOM 303 O ASN A 21 -5.050 -6.647 4.406 1.00 0.00 O ATOM 304 CB ASN A 21 -4.983 -9.461 4.051 1.00 0.00 C ATOM 305 CG ASN A 21 -5.584 -10.792 3.652 1.00 0.00 C ATOM 306 OD1 ASN A 21 -6.799 -10.966 3.685 1.00 0.00 O ATOM 307 ND2 ASN A 21 -4.756 -11.742 3.291 1.00 0.00 N ATOM 0 H ASN A 21 -2.849 -8.900 2.408 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.740 -8.335 2.339 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.007 -9.640 4.502 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.611 -9.011 4.820 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.116 -12.659 3.027 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.752 -11.564 3.274 1.00 0.00 H new ATOM 314 N ASN A 22 -3.296 -6.619 3.089 1.00 0.00 N ATOM 315 CA ASN A 22 -2.722 -5.507 3.779 1.00 0.00 C ATOM 316 C ASN A 22 -2.353 -4.388 2.900 1.00 0.00 C ATOM 317 O ASN A 22 -2.170 -3.258 3.370 1.00 0.00 O ATOM 318 CB ASN A 22 -1.488 -5.980 4.462 1.00 0.00 C ATOM 319 CG ASN A 22 -1.689 -6.214 5.935 1.00 0.00 C ATOM 320 OD1 ASN A 22 -0.769 -6.060 6.734 1.00 0.00 O ATOM 321 ND2 ASN A 22 -2.895 -6.562 6.312 1.00 0.00 N ATOM 0 H ASN A 22 -2.784 -6.929 2.263 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.477 -5.134 4.471 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.152 -6.905 3.994 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.696 -5.245 4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.096 -6.715 7.300 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.632 -6.680 5.617 1.00 0.00 H new ATOM 328 N PHE A 23 -2.323 -4.657 1.646 1.00 0.00 N ATOM 329 CA PHE A 23 -1.775 -3.768 0.695 1.00 0.00 C ATOM 330 C PHE A 23 -2.652 -2.545 0.502 1.00 0.00 C ATOM 331 O PHE A 23 -3.674 -2.562 -0.175 1.00 0.00 O ATOM 332 CB PHE A 23 -1.414 -4.523 -0.563 1.00 0.00 C ATOM 333 CG PHE A 23 -2.522 -5.168 -1.260 1.00 0.00 C ATOM 334 CD1 PHE A 23 -3.081 -4.616 -2.389 1.00 0.00 C ATOM 335 CD2 PHE A 23 -2.981 -6.341 -0.791 1.00 0.00 C ATOM 336 CE1 PHE A 23 -4.107 -5.257 -3.037 1.00 0.00 C ATOM 337 CE2 PHE A 23 -3.998 -6.991 -1.416 1.00 0.00 C ATOM 338 CZ PHE A 23 -4.570 -6.455 -2.550 1.00 0.00 C ATOM 0 H PHE A 23 -2.688 -5.521 1.246 1.00 0.00 H new ATOM 0 HA PHE A 23 -0.838 -3.352 1.064 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.930 -3.831 -1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.678 -5.285 -0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.711 -3.674 -2.767 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.536 -6.772 0.094 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.547 -4.823 -3.923 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.359 -7.930 -1.023 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.375 -6.972 -3.051 1.00 0.00 H new ATOM 348 N GLY A 24 -2.263 -1.517 1.219 1.00 0.00 N ATOM 349 CA GLY A 24 -3.032 -0.292 1.327 1.00 0.00 C ATOM 350 C GLY A 24 -4.376 -0.536 1.946 1.00 0.00 C ATOM 351 O GLY A 24 -5.328 0.187 1.712 1.00 0.00 O ATOM 0 H GLY A 24 -1.393 -1.504 1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.481 0.432 1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.161 0.146 0.337 1.00 0.00 H new ATOM 355 N ALA A 25 -4.428 -1.545 2.780 1.00 0.00 N ATOM 356 CA ALA A 25 -5.614 -1.893 3.481 1.00 0.00 C ATOM 357 C ALA A 25 -5.435 -1.428 4.861 1.00 0.00 C ATOM 358 O ALA A 25 -6.314 -0.843 5.462 1.00 0.00 O ATOM 359 CB ALA A 25 -5.829 -3.380 3.435 1.00 0.00 C ATOM 0 H ALA A 25 -3.632 -2.148 2.986 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.493 -1.431 3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.741 -3.633 3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.921 -3.702 2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.981 -3.885 3.898 1.00 0.00 H new ATOM 365 N ILE A 26 -4.261 -1.676 5.347 1.00 0.00 N ATOM 366 CA ILE A 26 -3.852 -1.211 6.606 1.00 0.00 C ATOM 367 C ILE A 26 -3.107 0.106 6.408 1.00 0.00 C ATOM 368 O ILE A 26 -3.259 1.048 7.186 1.00 0.00 O ATOM 369 CB ILE A 26 -2.982 -2.251 7.351 1.00 0.00 C ATOM 370 CG1 ILE A 26 -2.358 -1.625 8.576 1.00 0.00 C ATOM 371 CG2 ILE A 26 -1.910 -2.775 6.424 1.00 0.00 C ATOM 372 CD1 ILE A 26 -1.576 -2.581 9.459 1.00 0.00 C ATOM 0 H ILE A 26 -3.553 -2.222 4.857 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.727 -1.049 7.235 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.611 -3.082 7.670 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.693 -0.823 8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.147 -1.166 9.173 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.299 -3.507 6.952 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.376 -3.247 5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.281 -1.949 6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.167 -2.038 10.311 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.237 -3.371 9.815 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.761 -3.022 8.885 1.00 0.00 H new ATOM 384 N LEU A 27 -2.348 0.175 5.309 1.00 0.00 N ATOM 385 CA LEU A 27 -1.629 1.372 4.938 1.00 0.00 C ATOM 386 C LEU A 27 -2.630 2.455 4.701 1.00 0.00 C ATOM 387 O LEU A 27 -2.486 3.577 5.179 1.00 0.00 O ATOM 388 CB LEU A 27 -0.778 1.087 3.685 1.00 0.00 C ATOM 389 CG LEU A 27 -0.754 2.134 2.539 1.00 0.00 C ATOM 390 CD1 LEU A 27 -0.087 3.421 2.922 1.00 0.00 C ATOM 391 CD2 LEU A 27 -0.106 1.568 1.312 1.00 0.00 C ATOM 0 H LEU A 27 -2.223 -0.602 4.661 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.949 1.691 5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.250 0.934 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.121 0.143 3.262 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.797 2.368 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.106 4.107 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.616 3.869 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.947 3.224 3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.101 2.320 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.919 1.278 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.664 0.694 0.976 1.00 0.00 H new ATOM 403 N SER A 28 -3.658 2.106 3.999 1.00 0.00 N ATOM 404 CA SER A 28 -4.683 3.009 3.766 1.00 0.00 C ATOM 405 C SER A 28 -5.974 2.512 4.376 1.00 0.00 C ATOM 406 O SER A 28 -6.933 2.135 3.672 1.00 0.00 O ATOM 407 CB SER A 28 -4.846 3.319 2.311 1.00 0.00 C ATOM 408 OG SER A 28 -3.630 3.787 1.754 1.00 0.00 O ATOM 0 H SER A 28 -3.790 1.185 3.582 1.00 0.00 H new ATOM 0 HA SER A 28 -4.412 3.947 4.252 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.174 2.426 1.779 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.624 4.071 2.180 1.00 0.00 H new ATOM 0 HG SER A 28 -3.760 3.982 0.802 1.00 0.00 H new ATOM 414 N SER A 29 -5.981 2.486 5.685 1.00 0.00 N ATOM 415 CA SER A 29 -7.155 2.082 6.474 1.00 0.00 C ATOM 416 C SER A 29 -8.283 3.116 6.359 1.00 0.00 C ATOM 417 O SER A 29 -9.390 2.929 6.865 1.00 0.00 O ATOM 418 CB SER A 29 -6.792 1.848 7.944 1.00 0.00 C ATOM 419 OG SER A 29 -5.816 0.822 8.092 1.00 0.00 O ATOM 0 H SER A 29 -5.174 2.744 6.253 1.00 0.00 H new ATOM 0 HA SER A 29 -7.511 1.138 6.061 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.414 2.774 8.377 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.689 1.579 8.501 1.00 0.00 H new ATOM 0 HG SER A 29 -4.950 1.145 7.766 1.00 0.00 H new ATOM 425 N THR A 30 -7.998 4.168 5.655 1.00 0.00 N ATOM 426 CA THR A 30 -8.903 5.235 5.381 1.00 0.00 C ATOM 427 C THR A 30 -10.050 4.742 4.496 1.00 0.00 C ATOM 428 O THR A 30 -11.174 5.222 4.579 1.00 0.00 O ATOM 429 CB THR A 30 -8.105 6.322 4.681 1.00 0.00 C ATOM 430 OG1 THR A 30 -7.453 5.733 3.534 1.00 0.00 O ATOM 431 CG2 THR A 30 -7.040 6.814 5.626 1.00 0.00 C ATOM 0 H THR A 30 -7.079 4.310 5.236 1.00 0.00 H new ATOM 0 HA THR A 30 -9.348 5.620 6.299 1.00 0.00 H new ATOM 0 HB THR A 30 -8.756 7.142 4.378 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.933 6.419 3.066 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.456 7.596 5.141 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.508 7.216 6.525 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.384 5.987 5.898 1.00 0.00 H new ATOM 439 N ASN A 31 -9.767 3.716 3.706 1.00 0.00 N ATOM 440 CA ASN A 31 -10.773 3.097 2.829 1.00 0.00 C ATOM 441 C ASN A 31 -11.740 2.297 3.657 1.00 0.00 C ATOM 442 O ASN A 31 -12.881 2.076 3.282 1.00 0.00 O ATOM 443 CB ASN A 31 -10.131 2.186 1.772 1.00 0.00 C ATOM 444 CG ASN A 31 -9.270 2.928 0.772 1.00 0.00 C ATOM 445 OD1 ASN A 31 -9.757 3.397 -0.257 1.00 0.00 O ATOM 446 ND2 ASN A 31 -7.992 3.013 1.037 1.00 0.00 N ATOM 0 H ASN A 31 -8.844 3.286 3.649 1.00 0.00 H new ATOM 0 HA ASN A 31 -11.295 3.899 2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.523 1.434 2.274 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.918 1.654 1.237 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.365 3.479 0.381 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.622 2.613 1.899 1.00 0.00 H new ATOM 453 N VAL A 32 -11.274 1.924 4.814 1.00 0.00 N ATOM 454 CA VAL A 32 -12.024 1.121 5.764 1.00 0.00 C ATOM 455 C VAL A 32 -12.801 2.075 6.684 1.00 0.00 C ATOM 456 O VAL A 32 -13.623 1.668 7.495 1.00 0.00 O ATOM 457 CB VAL A 32 -11.045 0.273 6.637 1.00 0.00 C ATOM 458 CG1 VAL A 32 -11.763 -0.838 7.386 1.00 0.00 C ATOM 459 CG2 VAL A 32 -9.885 -0.271 5.809 1.00 0.00 C ATOM 0 H VAL A 32 -10.340 2.171 5.140 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.699 0.452 5.230 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.628 0.944 7.388 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.043 -1.401 7.980 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.516 -0.405 8.044 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -12.245 -1.505 6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.224 -0.856 6.449 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.273 -0.905 5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.328 0.559 5.374 1.00 0.00 H new ATOM 469 N GLY A 33 -12.498 3.359 6.551 1.00 0.00 N ATOM 470 CA GLY A 33 -13.108 4.369 7.377 1.00 0.00 C ATOM 471 C GLY A 33 -12.413 4.463 8.711 1.00 0.00 C ATOM 472 O GLY A 33 -12.939 5.043 9.657 1.00 0.00 O ATOM 0 H GLY A 33 -11.828 3.719 5.871 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.065 5.333 6.871 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.162 4.135 7.527 1.00 0.00 H new ATOM 476 N SER A 34 -11.210 3.860 8.781 1.00 0.00 N ATOM 477 CA SER A 34 -10.403 3.783 9.995 1.00 0.00 C ATOM 478 C SER A 34 -11.164 3.022 11.101 1.00 0.00 C ATOM 479 O SER A 34 -10.903 3.175 12.302 1.00 0.00 O ATOM 480 CB SER A 34 -10.009 5.185 10.438 1.00 0.00 C ATOM 481 OG SER A 34 -9.319 5.871 9.390 1.00 0.00 O ATOM 0 H SER A 34 -10.773 3.408 7.978 1.00 0.00 H new ATOM 0 HA SER A 34 -9.489 3.225 9.791 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.900 5.746 10.722 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.374 5.127 11.322 1.00 0.00 H new ATOM 0 HG SER A 34 -9.075 6.771 9.693 1.00 0.00 H new ATOM 487 N ASN A 35 -12.065 2.167 10.639 1.00 0.00 N ATOM 488 CA ASN A 35 -12.965 1.331 11.468 1.00 0.00 C ATOM 489 C ASN A 35 -12.140 0.384 12.332 1.00 0.00 C ATOM 490 O ASN A 35 -12.460 0.094 13.486 1.00 0.00 O ATOM 491 CB ASN A 35 -13.864 0.504 10.521 1.00 0.00 C ATOM 492 CG ASN A 35 -15.039 -0.206 11.188 1.00 0.00 C ATOM 493 OD1 ASN A 35 -15.017 -0.534 12.366 1.00 0.00 O ATOM 494 ND2 ASN A 35 -16.058 -0.480 10.416 1.00 0.00 N ATOM 0 H ASN A 35 -12.206 2.020 9.640 1.00 0.00 H new ATOM 0 HA ASN A 35 -13.571 1.964 12.116 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.253 1.166 9.747 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.247 -0.242 10.021 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.863 -0.980 10.793 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -16.048 -0.194 9.437 1.00 0.00 H new ATOM 501 N THR A 36 -11.056 -0.030 11.774 1.00 0.00 N ATOM 502 CA THR A 36 -10.125 -0.952 12.351 1.00 0.00 C ATOM 503 C THR A 36 -9.155 -0.251 13.331 1.00 0.00 C ATOM 504 O THR A 36 -7.986 -0.638 13.451 1.00 0.00 O ATOM 505 CB THR A 36 -9.375 -1.563 11.180 1.00 0.00 C ATOM 506 OG1 THR A 36 -9.241 -0.540 10.167 1.00 0.00 O ATOM 507 CG2 THR A 36 -10.150 -2.732 10.605 1.00 0.00 C ATOM 0 H THR A 36 -10.773 0.282 10.845 1.00 0.00 H new ATOM 0 HA THR A 36 -10.639 -1.711 12.941 1.00 0.00 H new ATOM 0 HB THR A 36 -8.401 -1.924 11.510 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.758 -0.904 9.396 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.598 -3.158 9.767 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.285 -3.492 11.374 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.125 -2.388 10.260 1.00 0.00 H new HETATM 515 N TYC A 37 -9.700 0.712 14.080 1.00 0.00 N HETATM 516 CA TYC A 37 -8.990 1.531 15.033 1.00 0.00 C HETATM 517 C TYC A 37 -7.834 2.262 14.378 1.00 0.00 C HETATM 518 O TYC A 37 -6.662 1.898 14.542 1.00 0.00 O HETATM 519 CB TYC A 37 -8.513 0.715 16.228 1.00 0.00 C HETATM 520 CG TYC A 37 -9.608 0.030 17.021 1.00 0.00 C HETATM 521 CD1 TYC A 37 -9.968 -1.284 16.756 1.00 0.00 C HETATM 522 CD2 TYC A 37 -10.261 0.693 18.047 1.00 0.00 C HETATM 523 CE1 TYC A 37 -10.943 -1.915 17.494 1.00 0.00 C HETATM 524 CE2 TYC A 37 -11.242 0.070 18.787 1.00 0.00 C HETATM 525 OH TYC A 37 -12.549 -1.865 19.262 1.00 0.00 O HETATM 526 CZ TYC A 37 -11.579 -1.232 18.509 1.00 0.00 C HETATM 527 NXT TYC A 37 -8.157 3.285 13.637 1.00 0.00 N HETATM 0 HT22 TYC A 37 -7.430 3.823 13.166 1.00 0.00 H new HETATM 0 HT21 TYC A 37 -9.137 3.547 13.528 1.00 0.00 H new HETATM 0 HH TYC A 37 -12.896 -1.245 19.936 1.00 0.00 H new HETATM 0 HE2 TYC A 37 -11.748 0.608 19.589 1.00 0.00 H new HETATM 0 HE1 TYC A 37 -11.211 -2.949 17.277 1.00 0.00 H new HETATM 0 HD2 TYC A 37 -9.994 1.725 18.273 1.00 0.00 H new HETATM 0 HD1 TYC A 37 -9.471 -1.825 15.951 1.00 0.00 H new HETATM 0 HB2 TYC A 37 -7.814 -0.043 15.874 1.00 0.00 H new HETATM 0 HB1 TYC A 37 -7.958 1.372 16.898 1.00 0.00 H new HETATM 0 HA TYC A 37 -9.692 2.278 15.403 1.00 0.00 H new TER 539 TYC A 37