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 31 ASN : amide:sc= -0.0055 K(o=0.39,f=-3.5) USER MOD Set 1.2: A 35 ASN : amide:sc= 0.399 K(o=0.39,f=-5.2!) USER MOD Set 2.1: A 18 HIS : no HD1:sc= -1.04 K(o=-1.8,f=-0.29) USER MOD Set 2.2: A 22 ASN : amide:sc= -0.751 K(o=-1.8,f=-0.29) USER MOD Set 3.1: A 9 THR OG1 : rot -137:sc= 1.29 USER MOD Set 3.2: A 10 GLN : amide:sc= -0.0796 K(o=1.2,f=0.56) USER MOD Single : A 1 LYS N :NH3+ -122:sc= 0.0132 (180deg=-0.0182) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -1.41! K(o=-1.4!,f=-0.1) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.62! C(o=-1.6!,f=-1.6!) USER MOD Single : A 19 SER OG : rot -139:sc=-0.00584 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= -1.31 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -29:sc= 0.542 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -104:sc= 1.31 USER MOD Single : A 37 TYC OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 10.782 4.516 9.127 1.00 0.00 N ATOM 2 CA LYS A 1 10.096 5.227 8.052 1.00 0.00 C ATOM 3 C LYS A 1 11.094 6.028 7.260 1.00 0.00 C ATOM 4 O LYS A 1 12.040 6.588 7.828 1.00 0.00 O ATOM 5 CB LYS A 1 8.979 6.140 8.589 1.00 0.00 C ATOM 6 CG LYS A 1 7.864 5.398 9.311 1.00 0.00 C ATOM 7 CD LYS A 1 6.705 6.317 9.704 1.00 0.00 C ATOM 8 CE LYS A 1 5.980 6.893 8.486 1.00 0.00 C ATOM 9 NZ LYS A 1 4.765 7.649 8.863 1.00 0.00 N ATOM 0 H1 LYS A 1 10.612 3.494 9.031 1.00 0.00 H new ATOM 0 H2 LYS A 1 11.803 4.704 9.071 1.00 0.00 H new ATOM 0 H3 LYS A 1 10.420 4.842 10.046 1.00 0.00 H new ATOM 0 HA LYS A 1 9.624 4.488 7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 1 9.417 6.869 9.271 1.00 0.00 H new ATOM 0 HB3 LYS A 1 8.550 6.699 7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 1 7.489 4.600 8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 1 8.268 4.925 10.206 1.00 0.00 H new ATOM 0 HD2 LYS A 1 5.995 5.761 10.317 1.00 0.00 H new ATOM 0 HD3 LYS A 1 7.084 7.134 10.318 1.00 0.00 H new ATOM 0 HE2 LYS A 1 6.658 7.548 7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 1 5.706 6.082 7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 4.307 8.020 8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 4.105 7.019 9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 5.027 8.440 9.486 1.00 0.00 H new ATOM 25 N CYS A 2 10.910 6.077 5.968 1.00 0.00 N ATOM 26 CA CYS A 2 11.809 6.781 5.093 1.00 0.00 C ATOM 27 C CYS A 2 11.049 7.327 3.886 1.00 0.00 C ATOM 28 O CYS A 2 9.937 6.866 3.593 1.00 0.00 O ATOM 29 CB CYS A 2 12.971 5.871 4.691 1.00 0.00 C ATOM 30 SG CYS A 2 12.503 4.228 4.081 1.00 0.00 S ATOM 0 H CYS A 2 10.129 5.628 5.490 1.00 0.00 H new ATOM 0 HA CYS A 2 12.236 7.636 5.617 1.00 0.00 H new ATOM 0 HB2 CYS A 2 13.553 6.374 3.918 1.00 0.00 H new ATOM 0 HB3 CYS A 2 13.626 5.746 5.553 1.00 0.00 H new ATOM 35 N ASN A 3 11.631 8.300 3.194 1.00 0.00 N ATOM 36 CA ASN A 3 10.935 9.007 2.103 1.00 0.00 C ATOM 37 C ASN A 3 11.826 9.282 0.922 1.00 0.00 C ATOM 38 O ASN A 3 11.506 10.119 0.093 1.00 0.00 O ATOM 39 CB ASN A 3 10.319 10.342 2.586 1.00 0.00 C ATOM 40 CG ASN A 3 9.000 10.198 3.323 1.00 0.00 C ATOM 41 OD1 ASN A 3 8.684 10.985 4.216 1.00 0.00 O ATOM 42 ND2 ASN A 3 8.215 9.215 2.957 1.00 0.00 N ATOM 0 H ASN A 3 12.583 8.624 3.362 1.00 0.00 H new ATOM 0 HA ASN A 3 10.141 8.332 1.784 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.034 10.841 3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.169 10.991 1.723 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.313 9.085 3.415 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.506 8.580 2.214 1.00 0.00 H new ATOM 49 N THR A 4 12.906 8.573 0.807 1.00 0.00 N ATOM 50 CA THR A 4 13.782 8.779 -0.317 1.00 0.00 C ATOM 51 C THR A 4 13.520 7.706 -1.361 1.00 0.00 C ATOM 52 O THR A 4 13.004 6.627 -1.038 1.00 0.00 O ATOM 53 CB THR A 4 15.279 8.770 0.114 1.00 0.00 C ATOM 54 OG1 THR A 4 16.128 9.002 -1.009 1.00 0.00 O ATOM 55 CG2 THR A 4 15.655 7.452 0.744 1.00 0.00 C ATOM 0 H THR A 4 13.205 7.854 1.466 1.00 0.00 H new ATOM 0 HA THR A 4 13.575 9.761 -0.742 1.00 0.00 H new ATOM 0 HB THR A 4 15.411 9.568 0.845 1.00 0.00 H new ATOM 0 HG1 THR A 4 17.064 8.995 -0.719 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.705 7.474 1.035 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.038 7.281 1.626 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.494 6.647 0.027 1.00 0.00 H new ATOM 63 N ALA A 5 13.903 7.982 -2.578 1.00 0.00 N ATOM 64 CA ALA A 5 13.699 7.106 -3.724 1.00 0.00 C ATOM 65 C ALA A 5 14.481 5.810 -3.577 1.00 0.00 C ATOM 66 O ALA A 5 14.248 4.847 -4.282 1.00 0.00 O ATOM 67 CB ALA A 5 14.060 7.813 -5.015 1.00 0.00 C ATOM 0 H ALA A 5 14.383 8.849 -2.818 1.00 0.00 H new ATOM 0 HA ALA A 5 12.640 6.850 -3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 5 13.899 7.139 -5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 5 13.433 8.697 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.108 8.113 -4.985 1.00 0.00 H new ATOM 73 N THR A 6 15.447 5.823 -2.714 1.00 0.00 N ATOM 74 CA THR A 6 16.231 4.650 -2.428 1.00 0.00 C ATOM 75 C THR A 6 15.584 3.789 -1.290 1.00 0.00 C ATOM 76 O THR A 6 15.929 2.618 -1.096 1.00 0.00 O ATOM 77 CB THR A 6 17.659 5.108 -2.041 1.00 0.00 C ATOM 78 OG1 THR A 6 18.236 5.808 -3.153 1.00 0.00 O ATOM 79 CG2 THR A 6 18.555 3.947 -1.638 1.00 0.00 C ATOM 0 H THR A 6 15.720 6.649 -2.182 1.00 0.00 H new ATOM 0 HA THR A 6 16.271 4.013 -3.311 1.00 0.00 H new ATOM 0 HB THR A 6 17.580 5.761 -1.172 1.00 0.00 H new ATOM 0 HG1 THR A 6 19.140 6.105 -2.919 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.544 4.324 -1.377 1.00 0.00 H new ATOM 0 HG22 THR A 6 18.123 3.435 -0.778 1.00 0.00 H new ATOM 0 HG23 THR A 6 18.641 3.248 -2.470 1.00 0.00 H new ATOM 87 N CYS A 7 14.594 4.332 -0.611 1.00 0.00 N ATOM 88 CA CYS A 7 14.085 3.656 0.573 1.00 0.00 C ATOM 89 C CYS A 7 12.597 3.478 0.542 1.00 0.00 C ATOM 90 O CYS A 7 12.089 2.405 0.828 1.00 0.00 O ATOM 91 CB CYS A 7 14.430 4.447 1.773 1.00 0.00 C ATOM 92 SG CYS A 7 14.253 3.540 3.344 1.00 0.00 S ATOM 0 H CYS A 7 14.135 5.212 -0.845 1.00 0.00 H new ATOM 0 HA CYS A 7 14.544 2.668 0.598 1.00 0.00 H new ATOM 0 HB2 CYS A 7 15.459 4.795 1.681 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.796 5.333 1.805 1.00 0.00 H new ATOM 97 N ALA A 8 11.886 4.519 0.172 1.00 0.00 N ATOM 98 CA ALA A 8 10.447 4.476 0.139 1.00 0.00 C ATOM 99 C ALA A 8 9.999 3.493 -0.926 1.00 0.00 C ATOM 100 O ALA A 8 8.911 2.936 -0.871 1.00 0.00 O ATOM 101 CB ALA A 8 9.897 5.859 -0.110 1.00 0.00 C ATOM 0 H ALA A 8 12.288 5.412 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 8 10.061 4.136 1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.808 5.819 -0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.218 6.528 0.689 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.267 6.231 -1.065 1.00 0.00 H new ATOM 107 N THR A 9 10.885 3.262 -1.863 1.00 0.00 N ATOM 108 CA THR A 9 10.684 2.296 -2.926 1.00 0.00 C ATOM 109 C THR A 9 10.702 0.876 -2.375 1.00 0.00 C ATOM 110 O THR A 9 10.046 -0.027 -2.870 1.00 0.00 O ATOM 111 CB THR A 9 11.761 2.458 -3.958 1.00 0.00 C ATOM 112 OG1 THR A 9 13.007 2.660 -3.262 1.00 0.00 O ATOM 113 CG2 THR A 9 11.459 3.643 -4.852 1.00 0.00 C ATOM 0 H THR A 9 11.782 3.745 -1.913 1.00 0.00 H new ATOM 0 HA THR A 9 9.710 2.473 -3.382 1.00 0.00 H new ATOM 0 HB THR A 9 11.818 1.572 -4.590 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.513 3.377 -3.698 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.249 3.748 -5.596 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.505 3.485 -5.355 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.405 4.549 -4.249 1.00 0.00 H new ATOM 121 N GLN A 10 11.475 0.710 -1.353 1.00 0.00 N ATOM 122 CA GLN A 10 11.627 -0.551 -0.671 1.00 0.00 C ATOM 123 C GLN A 10 10.399 -0.768 0.149 1.00 0.00 C ATOM 124 O GLN A 10 9.919 -1.871 0.295 1.00 0.00 O ATOM 125 CB GLN A 10 12.878 -0.556 0.203 1.00 0.00 C ATOM 126 CG GLN A 10 14.121 -0.098 -0.531 1.00 0.00 C ATOM 127 CD GLN A 10 14.386 -0.869 -1.799 1.00 0.00 C ATOM 128 OE1 GLN A 10 14.077 -2.052 -1.907 1.00 0.00 O ATOM 129 NE2 GLN A 10 14.892 -0.195 -2.775 1.00 0.00 N ATOM 0 H GLN A 10 12.036 1.461 -0.952 1.00 0.00 H new ATOM 0 HA GLN A 10 11.748 -1.359 -1.393 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.714 0.091 1.065 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.041 -1.563 0.587 1.00 0.00 H new ATOM 0 HG2 GLN A 10 14.022 0.960 -0.772 1.00 0.00 H new ATOM 0 HG3 GLN A 10 14.981 -0.195 0.131 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.135 0.787 -2.645 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.049 -0.644 -3.677 1.00 0.00 H new ATOM 138 N ARG A 11 9.867 0.327 0.650 1.00 0.00 N ATOM 139 CA ARG A 11 8.611 0.299 1.376 1.00 0.00 C ATOM 140 C ARG A 11 7.512 -0.094 0.417 1.00 0.00 C ATOM 141 O ARG A 11 6.615 -0.832 0.767 1.00 0.00 O ATOM 142 CB ARG A 11 8.286 1.649 2.016 1.00 0.00 C ATOM 143 CG ARG A 11 9.359 2.193 2.941 1.00 0.00 C ATOM 144 CD ARG A 11 9.783 1.167 3.957 1.00 0.00 C ATOM 145 NE ARG A 11 8.642 0.568 4.694 1.00 0.00 N ATOM 146 CZ ARG A 11 8.599 -0.717 5.106 1.00 0.00 C ATOM 147 NH1 ARG A 11 9.651 -1.505 4.914 1.00 0.00 N ATOM 148 NH2 ARG A 11 7.513 -1.205 5.701 1.00 0.00 N ATOM 0 H ARG A 11 10.286 1.253 0.568 1.00 0.00 H new ATOM 0 HA ARG A 11 8.695 -0.426 2.185 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.107 2.376 1.224 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.357 1.554 2.578 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.223 2.504 2.354 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.985 3.080 3.452 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.338 0.375 3.454 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.464 1.631 4.670 1.00 0.00 H new ATOM 0 HE ARG A 11 7.841 1.164 4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.486 -1.138 4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.624 -2.477 5.223 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.701 -0.606 5.850 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.493 -2.178 6.008 1.00 0.00 H new ATOM 162 N LEU A 12 7.633 0.381 -0.811 1.00 0.00 N ATOM 163 CA LEU A 12 6.754 0.016 -1.888 1.00 0.00 C ATOM 164 C LEU A 12 6.879 -1.468 -2.158 1.00 0.00 C ATOM 165 O LEU A 12 5.896 -2.152 -2.370 1.00 0.00 O ATOM 166 CB LEU A 12 7.142 0.795 -3.131 1.00 0.00 C ATOM 167 CG LEU A 12 6.754 2.277 -3.189 1.00 0.00 C ATOM 168 CD1 LEU A 12 7.173 2.883 -4.517 1.00 0.00 C ATOM 169 CD2 LEU A 12 5.254 2.457 -2.982 1.00 0.00 C ATOM 0 H LEU A 12 8.360 1.042 -1.083 1.00 0.00 H new ATOM 0 HA LEU A 12 5.723 0.247 -1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.224 0.726 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.697 0.297 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 12 7.276 2.794 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.890 3.935 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.253 2.795 -4.633 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.677 2.355 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.005 3.517 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.712 1.923 -3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.971 2.060 -2.007 1.00 0.00 H new ATOM 181 N ALA A 13 8.099 -1.962 -2.094 1.00 0.00 N ATOM 182 CA ALA A 13 8.360 -3.366 -2.274 1.00 0.00 C ATOM 183 C ALA A 13 7.722 -4.168 -1.132 1.00 0.00 C ATOM 184 O ALA A 13 7.228 -5.265 -1.328 1.00 0.00 O ATOM 185 CB ALA A 13 9.854 -3.637 -2.364 1.00 0.00 C ATOM 0 H ALA A 13 8.931 -1.400 -1.916 1.00 0.00 H new ATOM 0 HA ALA A 13 7.913 -3.685 -3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.022 -4.705 -2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.272 -3.093 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.340 -3.307 -1.446 1.00 0.00 H new ATOM 191 N ASN A 14 7.684 -3.573 0.045 1.00 0.00 N ATOM 192 CA ASN A 14 7.095 -4.206 1.234 1.00 0.00 C ATOM 193 C ASN A 14 5.590 -4.069 1.248 1.00 0.00 C ATOM 194 O ASN A 14 4.909 -4.687 2.059 1.00 0.00 O ATOM 195 CB ASN A 14 7.663 -3.665 2.560 1.00 0.00 C ATOM 196 CG ASN A 14 9.101 -4.071 2.856 1.00 0.00 C ATOM 197 OD1 ASN A 14 9.492 -4.225 4.018 1.00 0.00 O ATOM 198 ND2 ASN A 14 9.893 -4.229 1.844 1.00 0.00 N ATOM 0 H ASN A 14 8.057 -2.639 0.215 1.00 0.00 H new ATOM 0 HA ASN A 14 7.368 -5.259 1.160 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.604 -2.577 2.546 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.029 -4.009 3.377 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.868 -4.487 1.995 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.542 -4.095 0.896 1.00 0.00 H new ATOM 205 N PHE A 15 5.072 -3.302 0.326 1.00 0.00 N ATOM 206 CA PHE A 15 3.683 -3.008 0.257 1.00 0.00 C ATOM 207 C PHE A 15 3.031 -4.071 -0.584 1.00 0.00 C ATOM 208 O PHE A 15 1.818 -4.257 -0.559 1.00 0.00 O ATOM 209 CB PHE A 15 3.510 -1.578 -0.334 1.00 0.00 C ATOM 210 CG PHE A 15 2.434 -1.421 -1.380 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.143 -1.078 -1.032 1.00 0.00 C ATOM 212 CD2 PHE A 15 2.728 -1.637 -2.718 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.168 -0.954 -1.999 1.00 0.00 C ATOM 214 CE2 PHE A 15 1.766 -1.516 -3.684 1.00 0.00 C ATOM 215 CZ PHE A 15 0.479 -1.175 -3.328 1.00 0.00 C ATOM 0 H PHE A 15 5.624 -2.859 -0.409 1.00 0.00 H new ATOM 0 HA PHE A 15 3.207 -3.013 1.237 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.296 -0.891 0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.460 -1.269 -0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.895 -0.906 0.005 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.735 -1.906 -3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.839 -0.684 -1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.014 -1.687 -4.721 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.285 -1.081 -4.085 1.00 0.00 H new ATOM 225 N LEU A 16 3.854 -4.791 -1.309 1.00 0.00 N ATOM 226 CA LEU A 16 3.393 -5.783 -2.164 1.00 0.00 C ATOM 227 C LEU A 16 4.287 -7.045 -2.060 1.00 0.00 C ATOM 228 O LEU A 16 4.363 -7.868 -2.971 1.00 0.00 O ATOM 229 CB LEU A 16 3.360 -5.166 -3.557 1.00 0.00 C ATOM 230 CG LEU A 16 4.503 -5.401 -4.581 1.00 0.00 C ATOM 231 CD1 LEU A 16 4.127 -4.784 -5.910 1.00 0.00 C ATOM 232 CD2 LEU A 16 5.801 -4.798 -4.121 1.00 0.00 C ATOM 0 H LEU A 16 4.868 -4.680 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 16 2.392 -6.127 -1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.438 -5.504 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.273 -4.088 -3.423 1.00 0.00 H new ATOM 0 HG LEU A 16 4.639 -6.478 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.930 -4.949 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.210 -5.244 -6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.969 -3.713 -5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.574 -4.985 -4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.677 -3.723 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.095 -5.248 -3.173 1.00 0.00 H new ATOM 244 N VAL A 17 4.897 -7.219 -0.898 1.00 0.00 N ATOM 245 CA VAL A 17 5.869 -8.285 -0.704 1.00 0.00 C ATOM 246 C VAL A 17 5.210 -9.574 -0.227 1.00 0.00 C ATOM 247 O VAL A 17 5.487 -10.660 -0.745 1.00 0.00 O ATOM 248 CB VAL A 17 7.043 -7.852 0.247 1.00 0.00 C ATOM 249 CG1 VAL A 17 6.576 -7.536 1.654 1.00 0.00 C ATOM 250 CG2 VAL A 17 8.132 -8.885 0.283 1.00 0.00 C ATOM 0 H VAL A 17 4.737 -6.637 -0.076 1.00 0.00 H new ATOM 0 HA VAL A 17 6.309 -8.487 -1.681 1.00 0.00 H new ATOM 0 HB VAL A 17 7.445 -6.931 -0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.431 -7.243 2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.855 -6.719 1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.106 -8.418 2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.927 -8.552 0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.726 -9.829 0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.535 -9.024 -0.720 1.00 0.00 H new ATOM 260 N HIS A 18 4.330 -9.439 0.722 1.00 0.00 N ATOM 261 CA HIS A 18 3.638 -10.545 1.299 1.00 0.00 C ATOM 262 C HIS A 18 2.221 -10.121 1.584 1.00 0.00 C ATOM 263 O HIS A 18 1.466 -10.796 2.285 1.00 0.00 O ATOM 264 CB HIS A 18 4.327 -10.979 2.596 1.00 0.00 C ATOM 265 CG HIS A 18 4.182 -10.062 3.804 1.00 0.00 C ATOM 266 ND1 HIS A 18 3.897 -10.519 5.065 1.00 0.00 N ATOM 267 CD2 HIS A 18 4.311 -8.730 3.924 1.00 0.00 C ATOM 268 CE1 HIS A 18 3.859 -9.505 5.901 1.00 0.00 C ATOM 269 NE2 HIS A 18 4.109 -8.404 5.234 1.00 0.00 N ATOM 0 H HIS A 18 4.071 -8.537 1.122 1.00 0.00 H new ATOM 0 HA HIS A 18 3.644 -11.389 0.610 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.942 -11.961 2.870 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.390 -11.099 2.389 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.535 -8.039 3.125 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.656 -9.568 6.960 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.146 -7.464 5.627 1.00 0.00 H new ATOM 278 N SER A 19 1.865 -9.032 0.989 1.00 0.00 N ATOM 279 CA SER A 19 0.674 -8.366 1.282 1.00 0.00 C ATOM 280 C SER A 19 -0.507 -9.102 0.781 1.00 0.00 C ATOM 281 O SER A 19 -1.415 -9.248 1.501 1.00 0.00 O ATOM 282 CB SER A 19 0.752 -6.980 0.748 1.00 0.00 C ATOM 283 OG SER A 19 1.985 -6.405 1.164 1.00 0.00 O ATOM 0 H SER A 19 2.424 -8.580 0.265 1.00 0.00 H new ATOM 0 HA SER A 19 0.546 -8.315 2.363 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.686 -6.989 -0.340 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.086 -6.386 1.113 1.00 0.00 H new ATOM 0 HG SER A 19 1.838 -5.473 1.428 1.00 0.00 H new ATOM 289 N SER A 20 -0.423 -9.697 -0.377 1.00 0.00 N ATOM 290 CA SER A 20 -1.550 -10.408 -1.011 1.00 0.00 C ATOM 291 C SER A 20 -1.991 -11.669 -0.229 1.00 0.00 C ATOM 292 O SER A 20 -2.852 -12.435 -0.675 1.00 0.00 O ATOM 293 CB SER A 20 -1.188 -10.756 -2.443 1.00 0.00 C ATOM 294 OG SER A 20 -0.879 -9.569 -3.175 1.00 0.00 O ATOM 0 H SER A 20 0.433 -9.714 -0.932 1.00 0.00 H new ATOM 0 HA SER A 20 -2.408 -9.736 -1.000 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.334 -11.433 -2.456 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.017 -11.280 -2.919 1.00 0.00 H new ATOM 0 HG SER A 20 -0.645 -9.805 -4.097 1.00 0.00 H new ATOM 300 N ASN A 21 -1.412 -11.849 0.925 1.00 0.00 N ATOM 301 CA ASN A 21 -1.711 -12.923 1.817 1.00 0.00 C ATOM 302 C ASN A 21 -1.960 -12.381 3.226 1.00 0.00 C ATOM 303 O ASN A 21 -2.253 -13.134 4.147 1.00 0.00 O ATOM 304 CB ASN A 21 -0.515 -13.861 1.882 1.00 0.00 C ATOM 305 CG ASN A 21 -0.303 -14.709 0.642 1.00 0.00 C ATOM 306 OD1 ASN A 21 -0.878 -15.787 0.509 1.00 0.00 O ATOM 307 ND2 ASN A 21 0.546 -14.269 -0.247 1.00 0.00 N ATOM 0 H ASN A 21 -0.689 -11.223 1.280 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.598 -13.445 1.456 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.383 -13.270 2.058 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.636 -14.522 2.741 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.747 -14.824 -1.079 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.008 -13.370 -0.110 1.00 0.00 H new ATOM 314 N ASN A 22 -1.849 -11.069 3.393 1.00 0.00 N ATOM 315 CA ASN A 22 -1.834 -10.456 4.700 1.00 0.00 C ATOM 316 C ASN A 22 -2.603 -9.189 4.815 1.00 0.00 C ATOM 317 O ASN A 22 -3.138 -8.891 5.872 1.00 0.00 O ATOM 318 CB ASN A 22 -0.434 -10.126 5.043 1.00 0.00 C ATOM 319 CG ASN A 22 0.165 -11.090 6.012 1.00 0.00 C ATOM 320 OD1 ASN A 22 1.045 -10.744 6.793 1.00 0.00 O ATOM 321 ND2 ASN A 22 -0.308 -12.306 5.981 1.00 0.00 N ATOM 0 H ASN A 22 -1.767 -10.407 2.622 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.302 -11.182 5.365 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.165 -10.113 4.133 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.395 -9.122 5.465 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.055 -13.011 6.623 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.040 -12.551 5.315 1.00 0.00 H new ATOM 328 N PHE A 23 -2.601 -8.456 3.763 1.00 0.00 N ATOM 329 CA PHE A 23 -3.196 -7.147 3.633 1.00 0.00 C ATOM 330 C PHE A 23 -4.637 -7.051 4.169 1.00 0.00 C ATOM 331 O PHE A 23 -5.626 -7.376 3.509 1.00 0.00 O ATOM 332 CB PHE A 23 -3.021 -6.644 2.198 1.00 0.00 C ATOM 333 CG PHE A 23 -3.624 -7.473 1.088 1.00 0.00 C ATOM 334 CD1 PHE A 23 -4.194 -8.711 1.332 1.00 0.00 C ATOM 335 CD2 PHE A 23 -3.585 -7.007 -0.195 1.00 0.00 C ATOM 336 CE1 PHE A 23 -4.717 -9.458 0.313 1.00 0.00 C ATOM 337 CE2 PHE A 23 -4.098 -7.742 -1.224 1.00 0.00 C ATOM 338 CZ PHE A 23 -4.671 -8.972 -0.978 1.00 0.00 C ATOM 0 H PHE A 23 -2.155 -8.764 2.899 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.656 -6.467 4.292 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.447 -5.642 2.139 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.953 -6.548 2.003 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.226 -9.092 2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.142 -6.043 -0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.162 -10.421 0.517 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.055 -7.360 -2.233 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.082 -9.552 -1.791 1.00 0.00 H new ATOM 348 N GLY A 24 -4.702 -6.659 5.408 1.00 0.00 N ATOM 349 CA GLY A 24 -5.938 -6.597 6.157 1.00 0.00 C ATOM 350 C GLY A 24 -6.554 -7.960 6.368 1.00 0.00 C ATOM 351 O GLY A 24 -7.728 -8.097 6.666 1.00 0.00 O ATOM 0 H GLY A 24 -3.885 -6.366 5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.750 -6.133 7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.647 -5.959 5.630 1.00 0.00 H new ATOM 355 N ALA A 25 -5.731 -8.949 6.294 1.00 0.00 N ATOM 356 CA ALA A 25 -6.109 -10.295 6.520 1.00 0.00 C ATOM 357 C ALA A 25 -5.703 -10.604 7.907 1.00 0.00 C ATOM 358 O ALA A 25 -6.413 -11.235 8.662 1.00 0.00 O ATOM 359 CB ALA A 25 -5.426 -11.209 5.528 1.00 0.00 C ATOM 0 H ALA A 25 -4.743 -8.835 6.066 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.181 -10.443 6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.727 -12.240 5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.713 -10.926 4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.345 -11.121 5.637 1.00 0.00 H new ATOM 365 N ILE A 26 -4.566 -10.086 8.243 1.00 0.00 N ATOM 366 CA ILE A 26 -4.058 -10.152 9.554 1.00 0.00 C ATOM 367 C ILE A 26 -4.379 -8.834 10.273 1.00 0.00 C ATOM 368 O ILE A 26 -4.835 -8.813 11.406 1.00 0.00 O ATOM 369 CB ILE A 26 -2.529 -10.460 9.562 1.00 0.00 C ATOM 370 CG1 ILE A 26 -1.956 -10.233 10.945 1.00 0.00 C ATOM 371 CG2 ILE A 26 -1.792 -9.612 8.526 1.00 0.00 C ATOM 372 CD1 ILE A 26 -0.481 -10.564 11.085 1.00 0.00 C ATOM 0 H ILE A 26 -3.957 -9.595 7.588 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.535 -10.975 10.086 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.390 -11.508 9.295 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.107 -9.189 11.219 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.518 -10.834 11.659 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.728 -9.847 8.554 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.186 -9.828 7.533 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.936 -8.555 8.752 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.160 -10.370 12.109 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.320 -11.615 10.847 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.098 -9.944 10.400 1.00 0.00 H new ATOM 384 N LEU A 27 -4.199 -7.748 9.542 1.00 0.00 N ATOM 385 CA LEU A 27 -4.438 -6.392 10.012 1.00 0.00 C ATOM 386 C LEU A 27 -5.904 -6.173 10.333 1.00 0.00 C ATOM 387 O LEU A 27 -6.254 -5.598 11.361 1.00 0.00 O ATOM 388 CB LEU A 27 -3.944 -5.441 8.901 1.00 0.00 C ATOM 389 CG LEU A 27 -4.772 -4.193 8.515 1.00 0.00 C ATOM 390 CD1 LEU A 27 -4.863 -3.176 9.613 1.00 0.00 C ATOM 391 CD2 LEU A 27 -4.211 -3.566 7.261 1.00 0.00 C ATOM 0 H LEU A 27 -3.873 -7.785 8.576 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.899 -6.200 10.940 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.953 -5.093 9.192 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.820 -6.038 7.997 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.790 -4.538 8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.457 -2.327 9.275 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.336 -3.625 10.486 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.862 -2.835 9.877 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.801 -2.688 6.998 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.177 -3.269 7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.250 -4.287 6.445 1.00 0.00 H new ATOM 403 N SER A 28 -6.739 -6.636 9.466 1.00 0.00 N ATOM 404 CA SER A 28 -8.152 -6.406 9.606 1.00 0.00 C ATOM 405 C SER A 28 -8.935 -7.689 9.852 1.00 0.00 C ATOM 406 O SER A 28 -10.160 -7.681 9.967 1.00 0.00 O ATOM 407 CB SER A 28 -8.647 -5.708 8.383 1.00 0.00 C ATOM 408 OG SER A 28 -7.967 -4.474 8.200 1.00 0.00 O ATOM 0 H SER A 28 -6.474 -7.180 8.645 1.00 0.00 H new ATOM 0 HA SER A 28 -8.311 -5.783 10.486 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.499 -6.344 7.510 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.719 -5.529 8.469 1.00 0.00 H new ATOM 0 HG SER A 28 -8.303 -4.032 7.393 1.00 0.00 H new ATOM 414 N SER A 29 -8.213 -8.775 9.867 1.00 0.00 N ATOM 415 CA SER A 29 -8.728 -10.115 10.154 1.00 0.00 C ATOM 416 C SER A 29 -9.637 -10.637 9.023 1.00 0.00 C ATOM 417 O SER A 29 -10.369 -11.606 9.215 1.00 0.00 O ATOM 418 CB SER A 29 -9.442 -10.137 11.521 1.00 0.00 C ATOM 419 OG SER A 29 -8.590 -9.608 12.538 1.00 0.00 O ATOM 0 H SER A 29 -7.211 -8.767 9.675 1.00 0.00 H new ATOM 0 HA SER A 29 -7.879 -10.797 10.206 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.361 -9.553 11.468 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.728 -11.158 11.772 1.00 0.00 H new ATOM 0 HG SER A 29 -9.058 -9.627 13.399 1.00 0.00 H new ATOM 425 N THR A 30 -9.550 -9.976 7.831 1.00 0.00 N ATOM 426 CA THR A 30 -10.300 -10.282 6.573 1.00 0.00 C ATOM 427 C THR A 30 -11.852 -10.336 6.721 1.00 0.00 C ATOM 428 O THR A 30 -12.585 -10.513 5.745 1.00 0.00 O ATOM 429 CB THR A 30 -9.698 -11.507 5.745 1.00 0.00 C ATOM 430 OG1 THR A 30 -10.398 -11.703 4.506 1.00 0.00 O ATOM 431 CG2 THR A 30 -9.689 -12.814 6.523 1.00 0.00 C ATOM 0 H THR A 30 -8.926 -9.178 7.715 1.00 0.00 H new ATOM 0 HA THR A 30 -10.128 -9.399 5.957 1.00 0.00 H new ATOM 0 HB THR A 30 -8.663 -11.232 5.543 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.326 -11.404 4.604 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.267 -13.604 5.902 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.084 -12.698 7.422 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.709 -13.078 6.803 1.00 0.00 H new ATOM 439 N ASN A 31 -12.334 -10.104 7.907 1.00 0.00 N ATOM 440 CA ASN A 31 -13.744 -10.111 8.193 1.00 0.00 C ATOM 441 C ASN A 31 -14.068 -8.820 8.854 1.00 0.00 C ATOM 442 O ASN A 31 -14.011 -8.675 10.083 1.00 0.00 O ATOM 443 CB ASN A 31 -14.160 -11.309 9.059 1.00 0.00 C ATOM 444 CG ASN A 31 -14.028 -12.647 8.342 1.00 0.00 C ATOM 445 OD1 ASN A 31 -14.196 -12.743 7.122 1.00 0.00 O ATOM 446 ND2 ASN A 31 -13.718 -13.679 9.075 1.00 0.00 N ATOM 0 H ASN A 31 -11.750 -9.901 8.719 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.306 -10.218 7.265 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -13.548 -11.326 9.961 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.194 -11.176 9.378 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.608 -14.597 8.643 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -13.585 -13.569 10.080 1.00 0.00 H new ATOM 453 N VAL A 32 -14.277 -7.854 8.023 1.00 0.00 N ATOM 454 CA VAL A 32 -14.509 -6.493 8.422 1.00 0.00 C ATOM 455 C VAL A 32 -15.954 -6.119 8.110 1.00 0.00 C ATOM 456 O VAL A 32 -16.482 -5.108 8.575 1.00 0.00 O ATOM 457 CB VAL A 32 -13.537 -5.568 7.630 1.00 0.00 C ATOM 458 CG1 VAL A 32 -13.660 -4.108 8.030 1.00 0.00 C ATOM 459 CG2 VAL A 32 -12.105 -6.036 7.792 1.00 0.00 C ATOM 0 H VAL A 32 -14.293 -7.988 7.012 1.00 0.00 H new ATOM 0 HA VAL A 32 -14.334 -6.376 9.491 1.00 0.00 H new ATOM 0 HB VAL A 32 -13.824 -5.638 6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.960 -3.511 7.446 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -14.677 -3.763 7.841 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.432 -4.001 9.091 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.441 -5.377 7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.832 -6.014 8.847 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -12.010 -7.054 7.414 1.00 0.00 H new ATOM 469 N GLY A 33 -16.604 -6.969 7.355 1.00 0.00 N ATOM 470 CA GLY A 33 -17.943 -6.683 6.930 1.00 0.00 C ATOM 471 C GLY A 33 -17.971 -6.343 5.468 1.00 0.00 C ATOM 472 O GLY A 33 -19.032 -6.230 4.863 1.00 0.00 O ATOM 0 H GLY A 33 -16.227 -7.858 7.026 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -18.583 -7.544 7.121 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.345 -5.852 7.510 1.00 0.00 H new ATOM 476 N SER A 34 -16.783 -6.244 4.879 1.00 0.00 N ATOM 477 CA SER A 34 -16.624 -5.942 3.463 1.00 0.00 C ATOM 478 C SER A 34 -16.752 -7.229 2.650 1.00 0.00 C ATOM 479 O SER A 34 -16.593 -7.255 1.435 1.00 0.00 O ATOM 480 CB SER A 34 -15.265 -5.295 3.222 1.00 0.00 C ATOM 481 OG SER A 34 -15.105 -4.139 4.032 1.00 0.00 O ATOM 0 H SER A 34 -15.900 -6.372 5.374 1.00 0.00 H new ATOM 0 HA SER A 34 -17.402 -5.246 3.149 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.473 -6.011 3.441 1.00 0.00 H new ATOM 0 HB3 SER A 34 -15.168 -5.024 2.171 1.00 0.00 H new ATOM 0 HG SER A 34 -14.226 -3.740 3.863 1.00 0.00 H new ATOM 487 N ASN A 35 -17.093 -8.281 3.357 1.00 0.00 N ATOM 488 CA ASN A 35 -17.321 -9.606 2.811 1.00 0.00 C ATOM 489 C ASN A 35 -18.671 -9.624 2.098 1.00 0.00 C ATOM 490 O ASN A 35 -19.052 -10.597 1.483 1.00 0.00 O ATOM 491 CB ASN A 35 -17.347 -10.629 3.960 1.00 0.00 C ATOM 492 CG ASN A 35 -16.133 -10.547 4.873 1.00 0.00 C ATOM 493 OD1 ASN A 35 -16.140 -9.799 5.859 1.00 0.00 O ATOM 494 ND2 ASN A 35 -15.092 -11.282 4.571 1.00 0.00 N ATOM 0 H ASN A 35 -17.225 -8.240 4.368 1.00 0.00 H new ATOM 0 HA ASN A 35 -16.526 -9.859 2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -18.249 -10.475 4.553 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -17.409 -11.633 3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -14.257 -11.248 5.155 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.117 -11.889 3.752 1.00 0.00 H new ATOM 501 N THR A 36 -19.376 -8.515 2.196 1.00 0.00 N ATOM 502 CA THR A 36 -20.684 -8.332 1.613 1.00 0.00 C ATOM 503 C THR A 36 -20.587 -7.912 0.144 1.00 0.00 C ATOM 504 O THR A 36 -21.584 -7.872 -0.590 1.00 0.00 O ATOM 505 CB THR A 36 -21.436 -7.271 2.420 1.00 0.00 C ATOM 506 OG1 THR A 36 -20.538 -6.170 2.649 1.00 0.00 O ATOM 507 CG2 THR A 36 -21.913 -7.815 3.758 1.00 0.00 C ATOM 0 H THR A 36 -19.042 -7.693 2.699 1.00 0.00 H new ATOM 0 HA THR A 36 -21.222 -9.279 1.645 1.00 0.00 H new ATOM 0 HB THR A 36 -22.316 -6.957 1.859 1.00 0.00 H new ATOM 0 HG1 THR A 36 -20.220 -6.195 3.576 1.00 0.00 H new ATOM 0 HG21 THR A 36 -22.442 -7.032 4.301 1.00 0.00 H new ATOM 0 HG22 THR A 36 -22.584 -8.657 3.590 1.00 0.00 H new ATOM 0 HG23 THR A 36 -21.055 -8.146 4.343 1.00 0.00 H new HETATM 515 N TYC A 37 -19.393 -7.621 -0.265 1.00 0.00 N HETATM 516 CA TYC A 37 -19.120 -7.196 -1.621 1.00 0.00 C HETATM 517 C TYC A 37 -18.989 -8.396 -2.540 1.00 0.00 C HETATM 518 O TYC A 37 -19.940 -8.758 -3.242 1.00 0.00 O HETATM 519 CB TYC A 37 -17.874 -6.298 -1.703 1.00 0.00 C HETATM 520 CG TYC A 37 -18.048 -4.896 -1.146 1.00 0.00 C HETATM 521 CD1 TYC A 37 -18.326 -3.830 -1.995 1.00 0.00 C HETATM 522 CD2 TYC A 37 -17.924 -4.634 0.210 1.00 0.00 C HETATM 523 CE1 TYC A 37 -18.473 -2.547 -1.506 1.00 0.00 C HETATM 524 CE2 TYC A 37 -18.073 -3.355 0.707 1.00 0.00 C HETATM 525 OH TYC A 37 -18.496 -1.026 0.342 1.00 0.00 O HETATM 526 CZ TYC A 37 -18.347 -2.315 -0.155 1.00 0.00 C HETATM 527 NXT TYC A 37 -17.836 -9.022 -2.535 1.00 0.00 N HETATM 0 HT22 TYC A 37 -17.695 -9.835 -3.134 1.00 0.00 H new HETATM 0 HT21 TYC A 37 -17.081 -8.695 -1.932 1.00 0.00 H new HETATM 0 HH TYC A 37 -18.378 -1.035 1.315 1.00 0.00 H new HETATM 0 HE2 TYC A 37 -17.974 -3.168 1.776 1.00 0.00 H new HETATM 0 HE1 TYC A 37 -18.688 -1.723 -2.186 1.00 0.00 H new HETATM 0 HD2 TYC A 37 -17.705 -5.453 0.896 1.00 0.00 H new HETATM 0 HD1 TYC A 37 -18.430 -4.010 -3.065 1.00 0.00 H new HETATM 0 HB2 TYC A 37 -17.059 -6.785 -1.168 1.00 0.00 H new HETATM 0 HB1 TYC A 37 -17.569 -6.222 -2.747 1.00 0.00 H new HETATM 0 HA TYC A 37 -19.967 -6.596 -1.954 1.00 0.00 H new TER 539 TYC A 37