USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 161:sc= 0.0791 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -140:sc= 0.0506 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 72:sc= 1.38 USER MOD Single : A 26 THR OG1 : rot 25:sc= 0.298 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0599 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0.015) USER MOD Single : A 38 LYS NZ :NH3+ -125:sc= -0.574 (180deg=-3.42!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 45:sc= 0.998 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -116:sc= 0.578 USER MOD Single : A 57 ASN : amide:sc= -0.425 K(o=-0.43,f=-1.7) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 146:sc= -1.89 (180deg=-4.1!) USER MOD Single : A 64 SER OG : rot 42:sc= 0.186 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.339 -14.889 -18.132 1.00 0.00 N ATOM 2 CA GLY A 1 9.420 -13.922 -18.220 1.00 0.00 C ATOM 3 C GLY A 1 8.910 -12.504 -17.953 1.00 0.00 C ATOM 4 O GLY A 1 8.622 -12.149 -16.811 1.00 0.00 O ATOM 0 H1 GLY A 1 8.710 -15.843 -18.317 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.922 -14.858 -17.180 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.609 -14.659 -18.836 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.198 -14.174 -17.499 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.875 -13.969 -19.209 1.00 0.00 H new ATOM 8 N SER A 2 8.815 -11.732 -19.025 1.00 0.00 N ATOM 9 CA SER A 2 8.345 -10.361 -18.922 1.00 0.00 C ATOM 10 C SER A 2 9.246 -9.570 -17.970 1.00 0.00 C ATOM 11 O SER A 2 9.169 -9.738 -16.754 1.00 0.00 O ATOM 12 CB SER A 2 6.893 -10.311 -18.442 1.00 0.00 C ATOM 13 OG SER A 2 5.985 -10.072 -19.514 1.00 0.00 O ATOM 0 H SER A 2 9.056 -12.030 -19.970 1.00 0.00 H new ATOM 0 HA SER A 2 8.387 -9.909 -19.913 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.639 -11.253 -17.955 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.785 -9.526 -17.694 1.00 0.00 H new ATOM 0 HG SER A 2 5.069 -10.049 -19.167 1.00 0.00 H new ATOM 19 N SER A 3 10.078 -8.725 -18.560 1.00 0.00 N ATOM 20 CA SER A 3 10.992 -7.907 -17.781 1.00 0.00 C ATOM 21 C SER A 3 10.553 -6.442 -17.827 1.00 0.00 C ATOM 22 O SER A 3 10.020 -5.982 -18.835 1.00 0.00 O ATOM 23 CB SER A 3 12.428 -8.047 -18.290 1.00 0.00 C ATOM 24 OG SER A 3 13.339 -7.246 -17.544 1.00 0.00 O ATOM 0 H SER A 3 10.138 -8.589 -19.569 1.00 0.00 H new ATOM 0 HA SER A 3 10.966 -8.255 -16.748 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.733 -9.092 -18.232 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.470 -7.760 -19.341 1.00 0.00 H new ATOM 0 HG SER A 3 14.245 -7.364 -17.899 1.00 0.00 H new ATOM 30 N GLY A 4 10.793 -5.751 -16.722 1.00 0.00 N ATOM 31 CA GLY A 4 10.429 -4.348 -16.624 1.00 0.00 C ATOM 32 C GLY A 4 10.250 -3.929 -15.163 1.00 0.00 C ATOM 33 O GLY A 4 9.557 -4.601 -14.401 1.00 0.00 O ATOM 0 H GLY A 4 11.235 -6.137 -15.887 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.200 -3.735 -17.090 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.505 -4.169 -17.173 1.00 0.00 H new ATOM 37 N SER A 5 10.887 -2.820 -14.817 1.00 0.00 N ATOM 38 CA SER A 5 10.808 -2.303 -13.461 1.00 0.00 C ATOM 39 C SER A 5 10.625 -0.784 -13.490 1.00 0.00 C ATOM 40 O SER A 5 11.162 -0.107 -14.366 1.00 0.00 O ATOM 41 CB SER A 5 12.056 -2.673 -12.657 1.00 0.00 C ATOM 42 OG SER A 5 12.227 -4.084 -12.556 1.00 0.00 O ATOM 0 H SER A 5 11.460 -2.265 -15.452 1.00 0.00 H new ATOM 0 HA SER A 5 9.946 -2.757 -12.971 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.935 -2.234 -13.129 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.984 -2.244 -11.658 1.00 0.00 H new ATOM 0 HG SER A 5 13.035 -4.279 -12.037 1.00 0.00 H new ATOM 48 N SER A 6 9.866 -0.293 -12.522 1.00 0.00 N ATOM 49 CA SER A 6 9.606 1.133 -12.425 1.00 0.00 C ATOM 50 C SER A 6 10.206 1.688 -11.131 1.00 0.00 C ATOM 51 O SER A 6 11.078 2.555 -11.169 1.00 0.00 O ATOM 52 CB SER A 6 8.105 1.425 -12.481 1.00 0.00 C ATOM 53 OG SER A 6 7.564 1.190 -13.778 1.00 0.00 O ATOM 0 H SER A 6 9.422 -0.858 -11.797 1.00 0.00 H new ATOM 0 HA SER A 6 10.076 1.624 -13.277 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.587 0.801 -11.753 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.926 2.462 -12.196 1.00 0.00 H new ATOM 0 HG SER A 6 6.604 1.386 -13.772 1.00 0.00 H new ATOM 59 N GLY A 7 9.716 1.165 -10.017 1.00 0.00 N ATOM 60 CA GLY A 7 10.193 1.597 -8.715 1.00 0.00 C ATOM 61 C GLY A 7 9.036 1.722 -7.721 1.00 0.00 C ATOM 62 O GLY A 7 8.681 2.826 -7.312 1.00 0.00 O ATOM 0 H GLY A 7 8.993 0.446 -9.989 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.926 0.884 -8.337 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.701 2.557 -8.810 1.00 0.00 H new ATOM 66 N GLY A 8 8.482 0.574 -7.361 1.00 0.00 N ATOM 67 CA GLY A 8 7.373 0.540 -6.423 1.00 0.00 C ATOM 68 C GLY A 8 7.681 -0.383 -5.242 1.00 0.00 C ATOM 69 O GLY A 8 8.413 -1.360 -5.388 1.00 0.00 O ATOM 0 H GLY A 8 8.780 -0.340 -7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.169 1.547 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.472 0.197 -6.932 1.00 0.00 H new ATOM 73 N GLU A 9 7.106 -0.040 -4.098 1.00 0.00 N ATOM 74 CA GLU A 9 7.310 -0.826 -2.893 1.00 0.00 C ATOM 75 C GLU A 9 6.021 -1.557 -2.512 1.00 0.00 C ATOM 76 O GLU A 9 4.991 -0.927 -2.279 1.00 0.00 O ATOM 77 CB GLU A 9 7.803 0.053 -1.742 1.00 0.00 C ATOM 78 CG GLU A 9 9.326 -0.012 -1.615 1.00 0.00 C ATOM 79 CD GLU A 9 9.826 0.936 -0.523 1.00 0.00 C ATOM 80 OE1 GLU A 9 9.181 0.960 0.547 1.00 0.00 O ATOM 81 OE2 GLU A 9 10.843 1.614 -0.783 1.00 0.00 O ATOM 0 H GLU A 9 6.499 0.771 -3.980 1.00 0.00 H new ATOM 0 HA GLU A 9 8.081 -1.570 -3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.492 1.084 -1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.343 -0.272 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.632 -1.032 -1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.786 0.251 -2.568 1.00 0.00 H new ATOM 88 N GLU A 10 6.121 -2.877 -2.461 1.00 0.00 N ATOM 89 CA GLU A 10 4.976 -3.701 -2.112 1.00 0.00 C ATOM 90 C GLU A 10 4.710 -3.630 -0.607 1.00 0.00 C ATOM 91 O GLU A 10 5.568 -3.990 0.197 1.00 0.00 O ATOM 92 CB GLU A 10 5.184 -5.148 -2.564 1.00 0.00 C ATOM 93 CG GLU A 10 5.105 -5.263 -4.087 1.00 0.00 C ATOM 94 CD GLU A 10 6.494 -5.149 -4.718 1.00 0.00 C ATOM 95 OE1 GLU A 10 7.333 -6.021 -4.406 1.00 0.00 O ATOM 96 OE2 GLU A 10 6.686 -4.191 -5.499 1.00 0.00 O ATOM 0 H GLU A 10 6.977 -3.396 -2.655 1.00 0.00 H new ATOM 0 HA GLU A 10 4.101 -3.314 -2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.154 -5.505 -2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.428 -5.788 -2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.655 -6.217 -4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.457 -4.480 -4.481 1.00 0.00 H new ATOM 103 N TYR A 11 3.516 -3.162 -0.271 1.00 0.00 N ATOM 104 CA TYR A 11 3.126 -3.039 1.123 1.00 0.00 C ATOM 105 C TYR A 11 1.798 -3.751 1.386 1.00 0.00 C ATOM 106 O TYR A 11 0.912 -3.754 0.533 1.00 0.00 O ATOM 107 CB TYR A 11 2.948 -1.541 1.380 1.00 0.00 C ATOM 108 CG TYR A 11 4.207 -0.845 1.903 1.00 0.00 C ATOM 109 CD1 TYR A 11 4.475 -0.830 3.257 1.00 0.00 C ATOM 110 CD2 TYR A 11 5.073 -0.233 1.021 1.00 0.00 C ATOM 111 CE1 TYR A 11 5.660 -0.175 3.748 1.00 0.00 C ATOM 112 CE2 TYR A 11 6.258 0.422 1.512 1.00 0.00 C ATOM 113 CZ TYR A 11 6.492 0.418 2.852 1.00 0.00 C ATOM 114 OH TYR A 11 7.611 1.037 3.316 1.00 0.00 O ATOM 0 H TYR A 11 2.807 -2.864 -0.940 1.00 0.00 H new ATOM 0 HA TYR A 11 3.877 -3.489 1.773 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.637 -1.058 0.454 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.142 -1.400 2.100 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.797 -1.309 3.948 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.862 -0.245 -0.038 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.882 -0.156 4.805 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.945 0.905 0.832 1.00 0.00 H new ATOM 0 HH TYR A 11 8.251 1.150 2.582 1.00 0.00 H new ATOM 124 N ILE A 12 1.701 -4.337 2.570 1.00 0.00 N ATOM 125 CA ILE A 12 0.496 -5.051 2.956 1.00 0.00 C ATOM 126 C ILE A 12 -0.339 -4.168 3.886 1.00 0.00 C ATOM 127 O ILE A 12 0.201 -3.518 4.780 1.00 0.00 O ATOM 128 CB ILE A 12 0.849 -6.414 3.555 1.00 0.00 C ATOM 129 CG1 ILE A 12 1.697 -7.237 2.583 1.00 0.00 C ATOM 130 CG2 ILE A 12 -0.411 -7.163 3.992 1.00 0.00 C ATOM 131 CD1 ILE A 12 0.816 -8.130 1.707 1.00 0.00 C ATOM 0 H ILE A 12 2.438 -4.332 3.275 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.118 -5.263 2.081 1.00 0.00 H new ATOM 0 HB ILE A 12 1.452 -6.249 4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.285 -6.570 1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.403 -7.852 3.141 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.132 -8.129 4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.940 -6.577 4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.060 -7.318 3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.444 -8.704 1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.248 -8.813 2.339 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.128 -7.510 1.132 1.00 0.00 H new ATOM 143 N ALA A 13 -1.641 -4.174 3.644 1.00 0.00 N ATOM 144 CA ALA A 13 -2.555 -3.381 4.448 1.00 0.00 C ATOM 145 C ALA A 13 -2.798 -4.089 5.783 1.00 0.00 C ATOM 146 O ALA A 13 -3.486 -5.108 5.833 1.00 0.00 O ATOM 147 CB ALA A 13 -3.851 -3.148 3.668 1.00 0.00 C ATOM 0 H ALA A 13 -2.085 -4.716 2.902 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.125 -2.403 4.666 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.537 -2.553 4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.628 -2.617 2.742 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.312 -4.107 3.434 1.00 0.00 H new ATOM 153 N LEU A 14 -2.219 -3.522 6.831 1.00 0.00 N ATOM 154 CA LEU A 14 -2.363 -4.086 8.162 1.00 0.00 C ATOM 155 C LEU A 14 -3.841 -4.073 8.559 1.00 0.00 C ATOM 156 O LEU A 14 -4.389 -5.099 8.958 1.00 0.00 O ATOM 157 CB LEU A 14 -1.454 -3.358 9.154 1.00 0.00 C ATOM 158 CG LEU A 14 0.048 -3.607 8.994 1.00 0.00 C ATOM 159 CD1 LEU A 14 0.861 -2.588 9.795 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.408 -5.047 9.365 1.00 0.00 C ATOM 0 H LEU A 14 -1.649 -2.677 6.785 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.038 -5.126 8.172 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.636 -2.287 9.065 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.745 -3.648 10.164 1.00 0.00 H new ATOM 0 HG LEU A 14 0.307 -3.471 7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.925 -2.787 9.664 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.634 -1.582 9.441 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.604 -2.667 10.851 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.481 -5.197 9.242 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.131 -5.235 10.402 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.131 -5.736 8.715 1.00 0.00 H new ATOM 172 N TYR A 15 -4.443 -2.900 8.436 1.00 0.00 N ATOM 173 CA TYR A 15 -5.847 -2.739 8.778 1.00 0.00 C ATOM 174 C TYR A 15 -6.613 -2.059 7.641 1.00 0.00 C ATOM 175 O TYR A 15 -6.020 -1.368 6.815 1.00 0.00 O ATOM 176 CB TYR A 15 -5.880 -1.836 10.012 1.00 0.00 C ATOM 177 CG TYR A 15 -4.777 -2.132 11.030 1.00 0.00 C ATOM 178 CD1 TYR A 15 -3.509 -1.622 10.841 1.00 0.00 C ATOM 179 CD2 TYR A 15 -5.051 -2.909 12.137 1.00 0.00 C ATOM 180 CE1 TYR A 15 -2.471 -1.900 11.799 1.00 0.00 C ATOM 181 CE2 TYR A 15 -4.012 -3.188 13.095 1.00 0.00 C ATOM 182 CZ TYR A 15 -2.774 -2.670 12.879 1.00 0.00 C ATOM 183 OH TYR A 15 -1.793 -2.933 13.784 1.00 0.00 O ATOM 0 H TYR A 15 -3.985 -2.051 8.104 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.312 -3.708 8.958 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.795 -0.798 9.692 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.849 -1.941 10.501 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.295 -1.014 9.974 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.044 -3.308 12.285 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.474 -1.506 11.663 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.212 -3.795 13.965 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.153 -3.493 14.503 1.00 0.00 H new ATOM 193 N PRO A 16 -7.954 -2.285 7.637 1.00 0.00 N ATOM 194 CA PRO A 16 -8.808 -1.702 6.615 1.00 0.00 C ATOM 195 C PRO A 16 -9.026 -0.209 6.870 1.00 0.00 C ATOM 196 O PRO A 16 -9.539 0.177 7.918 1.00 0.00 O ATOM 197 CB PRO A 16 -10.095 -2.509 6.672 1.00 0.00 C ATOM 198 CG PRO A 16 -10.093 -3.203 8.024 1.00 0.00 C ATOM 199 CD PRO A 16 -8.690 -3.099 8.599 1.00 0.00 C ATOM 0 HA PRO A 16 -8.367 -1.750 5.619 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.966 -1.863 6.566 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.137 -3.235 5.860 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.816 -2.736 8.694 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.385 -4.248 7.917 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.700 -2.635 9.585 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.236 -4.083 8.715 1.00 0.00 H new ATOM 207 N TYR A 17 -8.624 0.589 5.892 1.00 0.00 N ATOM 208 CA TYR A 17 -8.768 2.031 5.997 1.00 0.00 C ATOM 209 C TYR A 17 -9.796 2.554 4.991 1.00 0.00 C ATOM 210 O TYR A 17 -9.597 2.447 3.782 1.00 0.00 O ATOM 211 CB TYR A 17 -7.397 2.619 5.658 1.00 0.00 C ATOM 212 CG TYR A 17 -7.383 4.145 5.548 1.00 0.00 C ATOM 213 CD1 TYR A 17 -7.182 4.915 6.675 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.572 4.750 4.323 1.00 0.00 C ATOM 215 CE1 TYR A 17 -7.169 6.352 6.572 1.00 0.00 C ATOM 216 CE2 TYR A 17 -7.559 6.187 4.220 1.00 0.00 C ATOM 217 CZ TYR A 17 -7.358 6.916 5.350 1.00 0.00 C ATOM 218 OH TYR A 17 -7.346 8.273 5.253 1.00 0.00 O ATOM 0 H TYR A 17 -8.199 0.265 5.023 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.107 2.310 6.994 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.683 2.314 6.423 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.054 2.194 4.715 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.034 4.441 7.634 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.730 4.147 3.441 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.013 6.967 7.446 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.706 6.674 3.267 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.046 8.563 4.631 1.00 0.00 H new ATOM 228 N SER A 18 -10.873 3.108 5.528 1.00 0.00 N ATOM 229 CA SER A 18 -11.933 3.647 4.693 1.00 0.00 C ATOM 230 C SER A 18 -11.862 5.175 4.679 1.00 0.00 C ATOM 231 O SER A 18 -11.585 5.796 5.704 1.00 0.00 O ATOM 232 CB SER A 18 -13.308 3.184 5.180 1.00 0.00 C ATOM 233 OG SER A 18 -13.431 3.275 6.596 1.00 0.00 O ATOM 0 H SER A 18 -11.034 3.195 6.531 1.00 0.00 H new ATOM 0 HA SER A 18 -11.792 3.274 3.679 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.082 3.790 4.709 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.475 2.153 4.867 1.00 0.00 H new ATOM 0 HG SER A 18 -14.323 2.972 6.867 1.00 0.00 H new ATOM 239 N SER A 19 -12.118 5.737 3.507 1.00 0.00 N ATOM 240 CA SER A 19 -12.087 7.181 3.346 1.00 0.00 C ATOM 241 C SER A 19 -13.399 7.667 2.729 1.00 0.00 C ATOM 242 O SER A 19 -14.075 6.916 2.028 1.00 0.00 O ATOM 243 CB SER A 19 -10.901 7.613 2.482 1.00 0.00 C ATOM 244 OG SER A 19 -9.777 7.998 3.270 1.00 0.00 O ATOM 0 H SER A 19 -12.348 5.218 2.659 1.00 0.00 H new ATOM 0 HA SER A 19 -11.968 7.633 4.331 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.617 6.794 1.821 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.200 8.446 1.846 1.00 0.00 H new ATOM 0 HG SER A 19 -9.375 7.202 3.677 1.00 0.00 H new ATOM 250 N VAL A 20 -13.720 8.922 3.011 1.00 0.00 N ATOM 251 CA VAL A 20 -14.939 9.517 2.492 1.00 0.00 C ATOM 252 C VAL A 20 -14.631 10.238 1.178 1.00 0.00 C ATOM 253 O VAL A 20 -15.538 10.548 0.408 1.00 0.00 O ATOM 254 CB VAL A 20 -15.563 10.435 3.545 1.00 0.00 C ATOM 255 CG1 VAL A 20 -15.948 9.648 4.800 1.00 0.00 C ATOM 256 CG2 VAL A 20 -14.622 11.592 3.890 1.00 0.00 C ATOM 0 H VAL A 20 -13.156 9.542 3.592 1.00 0.00 H new ATOM 0 HA VAL A 20 -15.677 8.745 2.274 1.00 0.00 H new ATOM 0 HB VAL A 20 -16.474 10.859 3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -16.389 10.324 5.532 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -16.671 8.876 4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -15.058 9.183 5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -15.089 12.230 4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -13.686 11.195 4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -14.420 12.177 2.992 1.00 0.00 H new ATOM 266 N GLU A 21 -13.347 10.482 0.962 1.00 0.00 N ATOM 267 CA GLU A 21 -12.907 11.160 -0.246 1.00 0.00 C ATOM 268 C GLU A 21 -12.360 10.148 -1.254 1.00 0.00 C ATOM 269 O GLU A 21 -11.658 9.210 -0.878 1.00 0.00 O ATOM 270 CB GLU A 21 -11.864 12.232 0.077 1.00 0.00 C ATOM 271 CG GLU A 21 -12.494 13.399 0.840 1.00 0.00 C ATOM 272 CD GLU A 21 -11.419 14.340 1.388 1.00 0.00 C ATOM 273 OE1 GLU A 21 -10.469 13.815 2.008 1.00 0.00 O ATOM 274 OE2 GLU A 21 -11.572 15.562 1.175 1.00 0.00 O ATOM 0 H GLU A 21 -12.597 10.223 1.603 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.767 11.659 -0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.061 11.796 0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.415 12.597 -0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.163 13.951 0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.100 13.016 1.661 1.00 0.00 H new ATOM 281 N PRO A 22 -12.710 10.378 -2.548 1.00 0.00 N ATOM 282 CA PRO A 22 -12.262 9.497 -3.612 1.00 0.00 C ATOM 283 C PRO A 22 -10.785 9.734 -3.934 1.00 0.00 C ATOM 284 O PRO A 22 -10.224 9.078 -4.811 1.00 0.00 O ATOM 285 CB PRO A 22 -13.180 9.799 -4.785 1.00 0.00 C ATOM 286 CG PRO A 22 -13.802 11.154 -4.490 1.00 0.00 C ATOM 287 CD PRO A 22 -13.539 11.479 -3.029 1.00 0.00 C ATOM 0 HA PRO A 22 -12.320 8.444 -3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.623 9.821 -5.721 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.947 9.031 -4.888 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -13.372 11.920 -5.135 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.873 11.134 -4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.028 12.436 -2.922 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.469 11.550 -2.465 1.00 0.00 H new ATOM 295 N GLY A 23 -10.196 10.672 -3.207 1.00 0.00 N ATOM 296 CA GLY A 23 -8.795 11.003 -3.404 1.00 0.00 C ATOM 297 C GLY A 23 -7.889 10.007 -2.678 1.00 0.00 C ATOM 298 O GLY A 23 -6.841 9.624 -3.195 1.00 0.00 O ATOM 0 H GLY A 23 -10.664 11.214 -2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.564 11.001 -4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.601 12.011 -3.037 1.00 0.00 H new ATOM 302 N ASP A 24 -8.326 9.615 -1.490 1.00 0.00 N ATOM 303 CA ASP A 24 -7.568 8.671 -0.688 1.00 0.00 C ATOM 304 C ASP A 24 -7.810 7.253 -1.211 1.00 0.00 C ATOM 305 O ASP A 24 -8.928 6.911 -1.593 1.00 0.00 O ATOM 306 CB ASP A 24 -8.007 8.715 0.777 1.00 0.00 C ATOM 307 CG ASP A 24 -6.899 9.059 1.775 1.00 0.00 C ATOM 308 OD1 ASP A 24 -6.194 8.113 2.187 1.00 0.00 O ATOM 309 OD2 ASP A 24 -6.783 10.259 2.102 1.00 0.00 O ATOM 0 H ASP A 24 -9.196 9.934 -1.064 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.514 8.941 -0.757 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.807 9.448 0.879 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.427 7.745 1.044 1.00 0.00 H new ATOM 314 N LEU A 25 -6.744 6.467 -1.212 1.00 0.00 N ATOM 315 CA LEU A 25 -6.826 5.095 -1.682 1.00 0.00 C ATOM 316 C LEU A 25 -7.467 4.226 -0.598 1.00 0.00 C ATOM 317 O LEU A 25 -6.860 3.978 0.443 1.00 0.00 O ATOM 318 CB LEU A 25 -5.451 4.600 -2.134 1.00 0.00 C ATOM 319 CG LEU A 25 -5.435 3.283 -2.914 1.00 0.00 C ATOM 320 CD1 LEU A 25 -5.912 3.492 -4.352 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.052 2.630 -2.857 1.00 0.00 C ATOM 0 H LEU A 25 -5.818 6.754 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.467 5.032 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.995 5.372 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.820 4.485 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.136 2.596 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.891 2.541 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.930 3.881 -4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.255 4.203 -4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.067 1.696 -3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.314 3.303 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.789 2.425 -1.819 1.00 0.00 H new ATOM 333 N THR A 26 -8.685 3.788 -0.878 1.00 0.00 N ATOM 334 CA THR A 26 -9.415 2.952 0.060 1.00 0.00 C ATOM 335 C THR A 26 -9.055 1.480 -0.146 1.00 0.00 C ATOM 336 O THR A 26 -9.131 0.969 -1.263 1.00 0.00 O ATOM 337 CB THR A 26 -10.907 3.243 -0.109 1.00 0.00 C ATOM 338 OG1 THR A 26 -11.157 2.983 -1.487 1.00 0.00 O ATOM 339 CG2 THR A 26 -11.237 4.728 0.056 1.00 0.00 C ATOM 0 H THR A 26 -9.186 3.996 -1.742 1.00 0.00 H new ATOM 0 HA THR A 26 -9.140 3.180 1.090 1.00 0.00 H new ATOM 0 HB THR A 26 -11.474 2.663 0.618 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.487 2.354 -1.828 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.309 4.879 -0.074 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.942 5.058 1.052 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.696 5.306 -0.693 1.00 0.00 H new ATOM 347 N PHE A 27 -8.672 0.838 0.948 1.00 0.00 N ATOM 348 CA PHE A 27 -8.301 -0.566 0.901 1.00 0.00 C ATOM 349 C PHE A 27 -8.622 -1.262 2.225 1.00 0.00 C ATOM 350 O PHE A 27 -8.782 -0.606 3.253 1.00 0.00 O ATOM 351 CB PHE A 27 -6.791 -0.622 0.662 1.00 0.00 C ATOM 352 CG PHE A 27 -5.982 0.304 1.574 1.00 0.00 C ATOM 353 CD1 PHE A 27 -5.851 0.011 2.896 1.00 0.00 C ATOM 354 CD2 PHE A 27 -5.395 1.419 1.063 1.00 0.00 C ATOM 355 CE1 PHE A 27 -5.100 0.870 3.742 1.00 0.00 C ATOM 356 CE2 PHE A 27 -4.645 2.278 1.909 1.00 0.00 C ATOM 357 CZ PHE A 27 -4.513 1.985 3.230 1.00 0.00 C ATOM 0 H PHE A 27 -8.611 1.265 1.873 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.857 -1.072 0.111 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.448 -1.647 0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.588 -0.361 -0.377 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.318 -0.874 3.302 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.499 1.651 0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.995 0.638 4.792 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.179 3.164 1.503 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.942 2.638 3.873 1.00 0.00 H new ATOM 367 N THR A 28 -8.707 -2.583 2.157 1.00 0.00 N ATOM 368 CA THR A 28 -9.006 -3.376 3.337 1.00 0.00 C ATOM 369 C THR A 28 -7.763 -4.141 3.795 1.00 0.00 C ATOM 370 O THR A 28 -6.750 -4.161 3.097 1.00 0.00 O ATOM 371 CB THR A 28 -10.192 -4.284 3.009 1.00 0.00 C ATOM 372 OG1 THR A 28 -9.954 -4.693 1.664 1.00 0.00 O ATOM 373 CG2 THR A 28 -11.514 -3.518 2.937 1.00 0.00 C ATOM 0 H THR A 28 -8.574 -3.124 1.302 1.00 0.00 H new ATOM 0 HA THR A 28 -9.287 -2.742 4.178 1.00 0.00 H new ATOM 0 HB THR A 28 -10.268 -5.068 3.762 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.676 -5.287 1.370 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.323 -4.210 2.701 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.712 -3.042 3.898 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.451 -2.755 2.161 1.00 0.00 H new ATOM 381 N GLU A 29 -7.880 -4.752 4.964 1.00 0.00 N ATOM 382 CA GLU A 29 -6.779 -5.517 5.523 1.00 0.00 C ATOM 383 C GLU A 29 -6.490 -6.743 4.655 1.00 0.00 C ATOM 384 O GLU A 29 -7.397 -7.510 4.335 1.00 0.00 O ATOM 385 CB GLU A 29 -7.072 -5.926 6.968 1.00 0.00 C ATOM 386 CG GLU A 29 -6.198 -7.108 7.392 1.00 0.00 C ATOM 387 CD GLU A 29 -7.006 -8.407 7.411 1.00 0.00 C ATOM 388 OE1 GLU A 29 -8.001 -8.446 8.167 1.00 0.00 O ATOM 389 OE2 GLU A 29 -6.610 -9.332 6.668 1.00 0.00 O ATOM 0 H GLU A 29 -8.721 -4.733 5.540 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.891 -4.884 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.893 -5.080 7.632 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.124 -6.193 7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.357 -7.208 6.705 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.781 -6.920 8.381 1.00 0.00 H new ATOM 396 N GLY A 30 -5.222 -6.891 4.299 1.00 0.00 N ATOM 397 CA GLY A 30 -4.802 -8.011 3.474 1.00 0.00 C ATOM 398 C GLY A 30 -4.488 -7.554 2.048 1.00 0.00 C ATOM 399 O GLY A 30 -3.669 -8.165 1.363 1.00 0.00 O ATOM 0 H GLY A 30 -4.472 -6.254 4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.921 -8.480 3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.587 -8.767 3.453 1.00 0.00 H new ATOM 403 N GLU A 31 -5.157 -6.485 1.642 1.00 0.00 N ATOM 404 CA GLU A 31 -4.959 -5.939 0.310 1.00 0.00 C ATOM 405 C GLU A 31 -3.482 -5.613 0.083 1.00 0.00 C ATOM 406 O GLU A 31 -2.745 -5.359 1.035 1.00 0.00 O ATOM 407 CB GLU A 31 -5.834 -4.703 0.089 1.00 0.00 C ATOM 408 CG GLU A 31 -7.253 -5.102 -0.321 1.00 0.00 C ATOM 409 CD GLU A 31 -7.319 -5.435 -1.813 1.00 0.00 C ATOM 410 OE1 GLU A 31 -6.365 -6.085 -2.292 1.00 0.00 O ATOM 411 OE2 GLU A 31 -8.323 -5.032 -2.441 1.00 0.00 O ATOM 0 H GLU A 31 -5.837 -5.982 2.212 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.260 -6.692 -0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.869 -4.110 1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.392 -4.073 -0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.575 -5.965 0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.943 -4.289 -0.095 1.00 0.00 H new ATOM 418 N GLU A 32 -3.092 -5.632 -1.183 1.00 0.00 N ATOM 419 CA GLU A 32 -1.716 -5.342 -1.547 1.00 0.00 C ATOM 420 C GLU A 32 -1.621 -3.967 -2.210 1.00 0.00 C ATOM 421 O GLU A 32 -1.996 -3.806 -3.371 1.00 0.00 O ATOM 422 CB GLU A 32 -1.148 -6.431 -2.459 1.00 0.00 C ATOM 423 CG GLU A 32 -0.100 -7.270 -1.725 1.00 0.00 C ATOM 424 CD GLU A 32 0.361 -8.448 -2.585 1.00 0.00 C ATOM 425 OE1 GLU A 32 0.525 -8.230 -3.805 1.00 0.00 O ATOM 426 OE2 GLU A 32 0.537 -9.541 -2.004 1.00 0.00 O ATOM 0 H GLU A 32 -3.706 -5.844 -1.970 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.116 -5.327 -0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.955 -7.075 -2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.700 -5.974 -3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.756 -6.646 -1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.517 -7.640 -0.788 1.00 0.00 H new ATOM 433 N ILE A 33 -1.117 -3.009 -1.446 1.00 0.00 N ATOM 434 CA ILE A 33 -0.968 -1.653 -1.945 1.00 0.00 C ATOM 435 C ILE A 33 0.445 -1.472 -2.504 1.00 0.00 C ATOM 436 O ILE A 33 1.428 -1.682 -1.795 1.00 0.00 O ATOM 437 CB ILE A 33 -1.334 -0.639 -0.860 1.00 0.00 C ATOM 438 CG1 ILE A 33 -2.808 -0.765 -0.466 1.00 0.00 C ATOM 439 CG2 ILE A 33 -0.976 0.783 -1.295 1.00 0.00 C ATOM 440 CD1 ILE A 33 -2.977 -0.701 1.053 1.00 0.00 C ATOM 0 H ILE A 33 -0.806 -3.146 -0.484 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.662 -1.471 -2.766 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.743 -0.862 0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.383 0.035 -0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.209 -1.707 -0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.247 1.484 -0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.095 0.846 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.521 1.033 -2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.033 -0.793 1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.421 -1.516 1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.597 0.252 1.422 1.00 0.00 H new ATOM 452 N LEU A 34 0.501 -1.085 -3.770 1.00 0.00 N ATOM 453 CA LEU A 34 1.777 -0.873 -4.432 1.00 0.00 C ATOM 454 C LEU A 34 2.167 0.602 -4.319 1.00 0.00 C ATOM 455 O LEU A 34 1.594 1.453 -4.997 1.00 0.00 O ATOM 456 CB LEU A 34 1.725 -1.387 -5.872 1.00 0.00 C ATOM 457 CG LEU A 34 3.047 -1.361 -6.641 1.00 0.00 C ATOM 458 CD1 LEU A 34 4.118 -2.182 -5.919 1.00 0.00 C ATOM 459 CD2 LEU A 34 2.850 -1.823 -8.087 1.00 0.00 C ATOM 0 H LEU A 34 -0.317 -0.913 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 34 2.561 -1.449 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.356 -2.413 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.995 -0.793 -6.423 1.00 0.00 H new ATOM 0 HG LEU A 34 3.400 -0.330 -6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.048 -2.147 -6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.284 -1.768 -4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.786 -3.216 -5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.805 -1.795 -8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.462 -2.842 -8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.142 -1.162 -8.587 1.00 0.00 H new ATOM 471 N VAL A 35 3.139 0.859 -3.456 1.00 0.00 N ATOM 472 CA VAL A 35 3.613 2.217 -3.246 1.00 0.00 C ATOM 473 C VAL A 35 4.574 2.598 -4.374 1.00 0.00 C ATOM 474 O VAL A 35 5.368 1.773 -4.822 1.00 0.00 O ATOM 475 CB VAL A 35 4.242 2.342 -1.857 1.00 0.00 C ATOM 476 CG1 VAL A 35 5.068 3.625 -1.742 1.00 0.00 C ATOM 477 CG2 VAL A 35 3.174 2.278 -0.763 1.00 0.00 C ATOM 0 H VAL A 35 3.611 0.151 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 35 2.781 2.921 -3.277 1.00 0.00 H new ATOM 0 HB VAL A 35 4.915 1.496 -1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.504 3.689 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.864 3.613 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.425 4.488 -1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.648 2.369 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.464 3.094 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.648 1.325 -0.823 1.00 0.00 H new ATOM 487 N THR A 36 4.469 3.848 -4.800 1.00 0.00 N ATOM 488 CA THR A 36 5.319 4.349 -5.867 1.00 0.00 C ATOM 489 C THR A 36 5.902 5.712 -5.489 1.00 0.00 C ATOM 490 O THR A 36 7.091 5.959 -5.685 1.00 0.00 O ATOM 491 CB THR A 36 4.494 4.376 -7.155 1.00 0.00 C ATOM 492 OG1 THR A 36 3.521 5.391 -6.922 1.00 0.00 O ATOM 493 CG2 THR A 36 3.666 3.104 -7.348 1.00 0.00 C ATOM 0 H THR A 36 3.808 4.529 -4.426 1.00 0.00 H new ATOM 0 HA THR A 36 6.178 3.697 -6.028 1.00 0.00 H new ATOM 0 HB THR A 36 5.159 4.509 -8.009 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.943 5.477 -7.709 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.100 3.176 -8.277 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.330 2.241 -7.394 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.977 2.988 -6.511 1.00 0.00 H new ATOM 501 N GLN A 37 5.038 6.562 -4.954 1.00 0.00 N ATOM 502 CA GLN A 37 5.452 7.894 -4.548 1.00 0.00 C ATOM 503 C GLN A 37 5.206 8.092 -3.050 1.00 0.00 C ATOM 504 O GLN A 37 4.117 7.809 -2.554 1.00 0.00 O ATOM 505 CB GLN A 37 4.732 8.966 -5.368 1.00 0.00 C ATOM 506 CG GLN A 37 5.733 9.918 -6.025 1.00 0.00 C ATOM 507 CD GLN A 37 5.048 11.211 -6.473 1.00 0.00 C ATOM 508 OE1 GLN A 37 5.141 12.246 -5.835 1.00 0.00 O ATOM 509 NE2 GLN A 37 4.357 11.092 -7.603 1.00 0.00 N ATOM 0 H GLN A 37 4.053 6.354 -4.792 1.00 0.00 H new ATOM 0 HA GLN A 37 6.521 7.995 -4.738 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.119 8.492 -6.134 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.057 9.530 -4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.533 10.151 -5.323 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.194 9.430 -6.884 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.321 10.195 -8.087 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.863 11.898 -7.986 1.00 0.00 H new ATOM 518 N LYS A 38 6.237 8.576 -2.373 1.00 0.00 N ATOM 519 CA LYS A 38 6.147 8.815 -0.943 1.00 0.00 C ATOM 520 C LYS A 38 6.229 10.319 -0.676 1.00 0.00 C ATOM 521 O LYS A 38 7.311 10.902 -0.711 1.00 0.00 O ATOM 522 CB LYS A 38 7.205 8.000 -0.196 1.00 0.00 C ATOM 523 CG LYS A 38 7.016 6.501 -0.441 1.00 0.00 C ATOM 524 CD LYS A 38 7.675 5.677 0.666 1.00 0.00 C ATOM 525 CE LYS A 38 7.838 4.217 0.240 1.00 0.00 C ATOM 526 NZ LYS A 38 9.259 3.912 -0.037 1.00 0.00 N ATOM 0 H LYS A 38 7.139 8.809 -2.789 1.00 0.00 H new ATOM 0 HA LYS A 38 5.185 8.474 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.200 8.303 -0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.143 8.208 0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.952 6.268 -0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.445 6.230 -1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.650 6.100 0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.071 5.730 1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.466 3.559 1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.238 4.023 -0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.350 3.523 -0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.822 4.783 0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.605 3.215 0.653 1.00 0.00 H new ATOM 540 N ASP A 39 5.069 10.905 -0.414 1.00 0.00 N ATOM 541 CA ASP A 39 4.996 12.330 -0.140 1.00 0.00 C ATOM 542 C ASP A 39 4.868 12.550 1.368 1.00 0.00 C ATOM 543 O ASP A 39 3.793 12.369 1.937 1.00 0.00 O ATOM 544 CB ASP A 39 3.774 12.958 -0.814 1.00 0.00 C ATOM 545 CG ASP A 39 3.869 13.086 -2.336 1.00 0.00 C ATOM 546 OD1 ASP A 39 5.001 12.946 -2.847 1.00 0.00 O ATOM 547 OD2 ASP A 39 2.808 13.322 -2.953 1.00 0.00 O ATOM 0 H ASP A 39 4.173 10.419 -0.386 1.00 0.00 H new ATOM 0 HA ASP A 39 5.902 12.795 -0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.896 12.361 -0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.614 13.949 -0.390 1.00 0.00 H new ATOM 552 N GLY A 40 5.982 12.937 1.974 1.00 0.00 N ATOM 553 CA GLY A 40 6.008 13.184 3.405 1.00 0.00 C ATOM 554 C GLY A 40 5.590 11.935 4.184 1.00 0.00 C ATOM 555 O GLY A 40 6.215 10.883 4.060 1.00 0.00 O ATOM 0 H GLY A 40 6.873 13.085 1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.010 13.487 3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.339 14.009 3.648 1.00 0.00 H new ATOM 559 N GLU A 41 4.535 12.093 4.971 1.00 0.00 N ATOM 560 CA GLU A 41 4.026 10.991 5.770 1.00 0.00 C ATOM 561 C GLU A 41 2.961 10.218 4.991 1.00 0.00 C ATOM 562 O GLU A 41 2.762 9.026 5.221 1.00 0.00 O ATOM 563 CB GLU A 41 3.472 11.493 7.105 1.00 0.00 C ATOM 564 CG GLU A 41 4.569 12.158 7.940 1.00 0.00 C ATOM 565 CD GLU A 41 5.364 11.116 8.730 1.00 0.00 C ATOM 566 OE1 GLU A 41 5.821 10.145 8.089 1.00 0.00 O ATOM 567 OE2 GLU A 41 5.497 11.315 9.956 1.00 0.00 O ATOM 0 H GLU A 41 4.019 12.967 5.072 1.00 0.00 H new ATOM 0 HA GLU A 41 4.852 10.314 5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.666 12.205 6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.042 10.660 7.661 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.241 12.715 7.287 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.123 12.877 8.627 1.00 0.00 H new ATOM 574 N TRP A 42 2.305 10.927 4.084 1.00 0.00 N ATOM 575 CA TRP A 42 1.266 10.322 3.269 1.00 0.00 C ATOM 576 C TRP A 42 1.895 9.894 1.942 1.00 0.00 C ATOM 577 O TRP A 42 2.242 10.736 1.115 1.00 0.00 O ATOM 578 CB TRP A 42 0.083 11.277 3.090 1.00 0.00 C ATOM 579 CG TRP A 42 -0.776 11.444 4.345 1.00 0.00 C ATOM 580 CD1 TRP A 42 -0.472 12.103 5.472 1.00 0.00 C ATOM 581 CD2 TRP A 42 -2.102 10.915 4.555 1.00 0.00 C ATOM 582 NE1 TRP A 42 -1.501 12.037 6.389 1.00 0.00 N ATOM 583 CE2 TRP A 42 -2.524 11.292 5.814 1.00 0.00 C ATOM 584 CE3 TRP A 42 -2.919 10.144 3.710 1.00 0.00 C ATOM 585 CZ2 TRP A 42 -3.773 10.944 6.341 1.00 0.00 C ATOM 586 CZ3 TRP A 42 -4.165 9.804 4.251 1.00 0.00 C ATOM 587 CH2 TRP A 42 -4.604 10.176 5.516 1.00 0.00 C ATOM 0 H TRP A 42 2.473 11.915 3.896 1.00 0.00 H new ATOM 0 HA TRP A 42 0.856 9.440 3.760 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.460 12.254 2.787 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.546 10.912 2.278 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.461 12.620 5.641 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.509 12.458 7.318 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.610 9.838 2.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.079 11.251 7.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.832 9.211 3.642 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.582 9.874 5.861 1.00 0.00 H new ATOM 598 N TRP A 43 2.022 8.585 1.779 1.00 0.00 N ATOM 599 CA TRP A 43 2.603 8.035 0.566 1.00 0.00 C ATOM 600 C TRP A 43 1.461 7.704 -0.397 1.00 0.00 C ATOM 601 O TRP A 43 0.300 7.656 0.005 1.00 0.00 O ATOM 602 CB TRP A 43 3.489 6.828 0.880 1.00 0.00 C ATOM 603 CG TRP A 43 4.498 7.073 2.004 1.00 0.00 C ATOM 604 CD1 TRP A 43 5.076 8.230 2.356 1.00 0.00 C ATOM 605 CD2 TRP A 43 5.028 6.086 2.914 1.00 0.00 C ATOM 606 NE1 TRP A 43 5.936 8.062 3.422 1.00 0.00 N ATOM 607 CE2 TRP A 43 5.906 6.717 3.772 1.00 0.00 C ATOM 608 CE3 TRP A 43 4.774 4.707 3.008 1.00 0.00 C ATOM 609 CZ2 TRP A 43 6.601 6.046 4.786 1.00 0.00 C ATOM 610 CZ3 TRP A 43 5.477 4.051 4.027 1.00 0.00 C ATOM 611 CH2 TRP A 43 6.364 4.671 4.899 1.00 0.00 C ATOM 0 H TRP A 43 1.733 7.890 2.467 1.00 0.00 H new ATOM 0 HA TRP A 43 3.261 8.762 0.090 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.854 5.985 1.153 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.029 6.541 -0.023 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.892 9.175 1.867 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.491 8.791 3.871 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.091 4.194 2.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.283 6.562 5.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.319 2.989 4.143 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.868 4.094 5.660 1.00 0.00 H new ATOM 622 N THR A 44 1.832 7.484 -1.650 1.00 0.00 N ATOM 623 CA THR A 44 0.853 7.158 -2.674 1.00 0.00 C ATOM 624 C THR A 44 0.907 5.666 -3.008 1.00 0.00 C ATOM 625 O THR A 44 1.914 5.177 -3.518 1.00 0.00 O ATOM 626 CB THR A 44 1.113 8.061 -3.881 1.00 0.00 C ATOM 627 OG1 THR A 44 0.561 9.318 -3.499 1.00 0.00 O ATOM 628 CG2 THR A 44 0.293 7.652 -5.106 1.00 0.00 C ATOM 0 H THR A 44 2.796 7.525 -1.979 1.00 0.00 H new ATOM 0 HA THR A 44 -0.162 7.344 -2.324 1.00 0.00 H new ATOM 0 HB THR A 44 2.174 8.037 -4.130 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.687 9.965 -4.224 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.515 8.325 -5.934 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.548 6.631 -5.390 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.769 7.708 -4.868 1.00 0.00 H new ATOM 636 N GLY A 45 -0.188 4.984 -2.708 1.00 0.00 N ATOM 637 CA GLY A 45 -0.278 3.558 -2.970 1.00 0.00 C ATOM 638 C GLY A 45 -1.122 3.282 -4.216 1.00 0.00 C ATOM 639 O GLY A 45 -1.770 4.184 -4.744 1.00 0.00 O ATOM 0 H GLY A 45 -1.021 5.393 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.722 3.146 -3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.717 3.053 -2.110 1.00 0.00 H new ATOM 643 N SER A 46 -1.087 2.031 -4.650 1.00 0.00 N ATOM 644 CA SER A 46 -1.840 1.624 -5.824 1.00 0.00 C ATOM 645 C SER A 46 -2.354 0.194 -5.647 1.00 0.00 C ATOM 646 O SER A 46 -1.725 -0.616 -4.968 1.00 0.00 O ATOM 647 CB SER A 46 -0.987 1.728 -7.090 1.00 0.00 C ATOM 648 OG SER A 46 -1.785 1.860 -8.263 1.00 0.00 O ATOM 0 H SER A 46 -0.549 1.285 -4.209 1.00 0.00 H new ATOM 0 HA SER A 46 -2.690 2.298 -5.935 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.319 2.586 -7.008 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.358 0.842 -7.177 1.00 0.00 H new ATOM 0 HG SER A 46 -2.494 2.518 -8.104 1.00 0.00 H new ATOM 654 N ILE A 47 -3.493 -0.073 -6.270 1.00 0.00 N ATOM 655 CA ILE A 47 -4.098 -1.391 -6.189 1.00 0.00 C ATOM 656 C ILE A 47 -4.635 -1.786 -7.567 1.00 0.00 C ATOM 657 O ILE A 47 -5.610 -1.209 -8.046 1.00 0.00 O ATOM 658 CB ILE A 47 -5.155 -1.429 -5.084 1.00 0.00 C ATOM 659 CG1 ILE A 47 -4.552 -1.031 -3.735 1.00 0.00 C ATOM 660 CG2 ILE A 47 -5.839 -2.796 -5.025 1.00 0.00 C ATOM 661 CD1 ILE A 47 -5.649 -0.715 -2.716 1.00 0.00 C ATOM 0 H ILE A 47 -4.012 0.601 -6.833 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.352 -2.136 -5.910 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.924 -0.695 -5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.925 -1.840 -3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.908 -0.161 -3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.586 -2.795 -4.231 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.324 -3.002 -5.979 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.095 -3.567 -4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.194 -0.435 -1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.260 0.110 -3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.276 -1.595 -2.572 1.00 0.00 H new ATOM 673 N GLY A 48 -3.975 -2.767 -8.165 1.00 0.00 N ATOM 674 CA GLY A 48 -4.374 -3.246 -9.477 1.00 0.00 C ATOM 675 C GLY A 48 -4.248 -2.139 -10.526 1.00 0.00 C ATOM 676 O GLY A 48 -3.312 -2.138 -11.324 1.00 0.00 O ATOM 0 H GLY A 48 -3.167 -3.243 -7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.753 -4.095 -9.763 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.404 -3.602 -9.441 1.00 0.00 H new ATOM 680 N ASP A 49 -5.205 -1.223 -10.491 1.00 0.00 N ATOM 681 CA ASP A 49 -5.214 -0.113 -11.428 1.00 0.00 C ATOM 682 C ASP A 49 -5.778 1.129 -10.736 1.00 0.00 C ATOM 683 O ASP A 49 -6.228 2.063 -11.399 1.00 0.00 O ATOM 684 CB ASP A 49 -6.096 -0.422 -12.639 1.00 0.00 C ATOM 685 CG ASP A 49 -5.348 -0.944 -13.868 1.00 0.00 C ATOM 686 OD1 ASP A 49 -4.129 -1.183 -13.731 1.00 0.00 O ATOM 687 OD2 ASP A 49 -6.013 -1.092 -14.916 1.00 0.00 O ATOM 0 H ASP A 49 -5.980 -1.227 -9.828 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.190 0.055 -11.761 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.843 -1.160 -12.347 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.635 0.484 -12.918 1.00 0.00 H new ATOM 692 N ARG A 50 -5.737 1.100 -9.412 1.00 0.00 N ATOM 693 CA ARG A 50 -6.239 2.212 -8.623 1.00 0.00 C ATOM 694 C ARG A 50 -5.075 3.032 -8.062 1.00 0.00 C ATOM 695 O ARG A 50 -4.031 2.481 -7.718 1.00 0.00 O ATOM 696 CB ARG A 50 -7.110 1.717 -7.466 1.00 0.00 C ATOM 697 CG ARG A 50 -8.270 0.862 -7.980 1.00 0.00 C ATOM 698 CD ARG A 50 -9.177 0.421 -6.830 1.00 0.00 C ATOM 699 NE ARG A 50 -9.067 -1.041 -6.630 1.00 0.00 N ATOM 700 CZ ARG A 50 -9.856 -1.748 -5.810 1.00 0.00 C ATOM 701 NH1 ARG A 50 -10.817 -1.132 -5.108 1.00 0.00 N ATOM 702 NH2 ARG A 50 -9.684 -3.072 -5.691 1.00 0.00 N ATOM 0 H ARG A 50 -5.364 0.324 -8.866 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.846 2.837 -9.278 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.503 1.134 -6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.500 2.569 -6.909 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.850 1.429 -8.708 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.879 -0.015 -8.497 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.898 0.943 -5.915 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.211 0.690 -7.048 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.345 -1.542 -7.149 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.948 -0.124 -5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.418 -1.671 -4.484 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -8.952 -3.541 -6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.285 -3.610 -5.067 1.00 0.00 H new ATOM 716 N SER A 51 -5.295 4.337 -7.986 1.00 0.00 N ATOM 717 CA SER A 51 -4.279 5.238 -7.473 1.00 0.00 C ATOM 718 C SER A 51 -4.908 6.237 -6.499 1.00 0.00 C ATOM 719 O SER A 51 -6.008 6.734 -6.739 1.00 0.00 O ATOM 720 CB SER A 51 -3.573 5.979 -8.611 1.00 0.00 C ATOM 721 OG SER A 51 -4.325 5.938 -9.821 1.00 0.00 O ATOM 0 H SER A 51 -6.163 4.791 -8.272 1.00 0.00 H new ATOM 0 HA SER A 51 -3.533 4.645 -6.944 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.409 7.017 -8.321 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.591 5.536 -8.779 1.00 0.00 H new ATOM 0 HG SER A 51 -3.842 6.423 -10.523 1.00 0.00 H new ATOM 727 N GLY A 52 -4.184 6.502 -5.422 1.00 0.00 N ATOM 728 CA GLY A 52 -4.658 7.432 -4.412 1.00 0.00 C ATOM 729 C GLY A 52 -3.646 7.566 -3.272 1.00 0.00 C ATOM 730 O GLY A 52 -2.589 6.937 -3.298 1.00 0.00 O ATOM 0 H GLY A 52 -3.272 6.089 -5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.833 8.408 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.614 7.089 -4.016 1.00 0.00 H new ATOM 734 N ILE A 53 -4.005 8.389 -2.297 1.00 0.00 N ATOM 735 CA ILE A 53 -3.142 8.613 -1.150 1.00 0.00 C ATOM 736 C ILE A 53 -3.662 7.804 0.039 1.00 0.00 C ATOM 737 O ILE A 53 -4.827 7.408 0.064 1.00 0.00 O ATOM 738 CB ILE A 53 -3.009 10.110 -0.865 1.00 0.00 C ATOM 739 CG1 ILE A 53 -4.333 10.694 -0.369 1.00 0.00 C ATOM 740 CG2 ILE A 53 -2.476 10.857 -2.089 1.00 0.00 C ATOM 741 CD1 ILE A 53 -4.112 12.032 0.338 1.00 0.00 C ATOM 0 H ILE A 53 -4.882 8.909 -2.278 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.132 8.261 -1.358 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.280 10.241 -0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.012 10.831 -1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.811 9.992 0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.391 11.919 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.495 10.464 -2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.162 10.721 -2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.069 12.425 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.452 11.887 1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.657 12.739 -0.355 1.00 0.00 H new ATOM 753 N PHE A 54 -2.774 7.582 0.997 1.00 0.00 N ATOM 754 CA PHE A 54 -3.128 6.827 2.187 1.00 0.00 C ATOM 755 C PHE A 54 -2.143 7.102 3.324 1.00 0.00 C ATOM 756 O PHE A 54 -1.047 7.610 3.092 1.00 0.00 O ATOM 757 CB PHE A 54 -3.058 5.345 1.814 1.00 0.00 C ATOM 758 CG PHE A 54 -1.633 4.806 1.670 1.00 0.00 C ATOM 759 CD1 PHE A 54 -0.945 4.399 2.770 1.00 0.00 C ATOM 760 CD2 PHE A 54 -1.054 4.735 0.441 1.00 0.00 C ATOM 761 CE1 PHE A 54 0.377 3.900 2.637 1.00 0.00 C ATOM 762 CE2 PHE A 54 0.269 4.235 0.308 1.00 0.00 C ATOM 763 CZ PHE A 54 0.956 3.828 1.408 1.00 0.00 C ATOM 0 H PHE A 54 -1.809 7.912 0.973 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.123 7.114 2.527 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.580 4.764 2.575 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.590 5.192 0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.405 4.455 3.746 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.600 5.059 -0.433 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.923 3.578 3.511 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.729 4.178 -0.667 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.962 3.447 1.306 1.00 0.00 H new ATOM 773 N PRO A 55 -2.579 6.744 4.562 1.00 0.00 N ATOM 774 CA PRO A 55 -1.748 6.946 5.736 1.00 0.00 C ATOM 775 C PRO A 55 -0.622 5.912 5.796 1.00 0.00 C ATOM 776 O PRO A 55 -0.881 4.712 5.875 1.00 0.00 O ATOM 777 CB PRO A 55 -2.703 6.854 6.915 1.00 0.00 C ATOM 778 CG PRO A 55 -3.942 6.145 6.393 1.00 0.00 C ATOM 779 CD PRO A 55 -3.871 6.139 4.874 1.00 0.00 C ATOM 0 HA PRO A 55 -1.237 7.909 5.729 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.254 6.300 7.739 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.951 7.845 7.295 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.989 5.126 6.777 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.844 6.655 6.731 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.940 5.126 4.478 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.691 6.709 4.437 1.00 0.00 H new ATOM 787 N SER A 56 0.603 6.415 5.757 1.00 0.00 N ATOM 788 CA SER A 56 1.769 5.549 5.806 1.00 0.00 C ATOM 789 C SER A 56 1.907 4.936 7.200 1.00 0.00 C ATOM 790 O SER A 56 2.925 5.119 7.865 1.00 0.00 O ATOM 791 CB SER A 56 3.040 6.316 5.436 1.00 0.00 C ATOM 792 OG SER A 56 3.497 7.141 6.504 1.00 0.00 O ATOM 0 H SER A 56 0.814 7.411 5.692 1.00 0.00 H new ATOM 0 HA SER A 56 1.633 4.751 5.077 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.824 5.609 5.164 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.848 6.933 4.558 1.00 0.00 H new ATOM 0 HG SER A 56 3.451 8.082 6.233 1.00 0.00 H new ATOM 798 N ASN A 57 0.867 4.219 7.602 1.00 0.00 N ATOM 799 CA ASN A 57 0.859 3.577 8.905 1.00 0.00 C ATOM 800 C ASN A 57 0.103 2.251 8.811 1.00 0.00 C ATOM 801 O ASN A 57 0.533 1.245 9.373 1.00 0.00 O ATOM 802 CB ASN A 57 0.155 4.451 9.946 1.00 0.00 C ATOM 803 CG ASN A 57 0.017 3.713 11.279 1.00 0.00 C ATOM 804 OD1 ASN A 57 0.690 2.731 11.547 1.00 0.00 O ATOM 805 ND2 ASN A 57 -0.890 4.239 12.097 1.00 0.00 N ATOM 0 H ASN A 57 0.024 4.069 7.048 1.00 0.00 H new ATOM 0 HA ASN A 57 1.894 3.418 9.209 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.718 5.372 10.093 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.832 4.735 9.580 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.057 3.819 13.011 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.419 5.063 11.810 1.00 0.00 H new ATOM 812 N TYR A 58 -1.012 2.292 8.097 1.00 0.00 N ATOM 813 CA TYR A 58 -1.833 1.106 7.922 1.00 0.00 C ATOM 814 C TYR A 58 -1.306 0.238 6.777 1.00 0.00 C ATOM 815 O TYR A 58 -2.086 -0.364 6.040 1.00 0.00 O ATOM 816 CB TYR A 58 -3.232 1.610 7.562 1.00 0.00 C ATOM 817 CG TYR A 58 -3.988 2.238 8.734 1.00 0.00 C ATOM 818 CD1 TYR A 58 -3.455 3.324 9.397 1.00 0.00 C ATOM 819 CD2 TYR A 58 -5.204 1.717 9.129 1.00 0.00 C ATOM 820 CE1 TYR A 58 -4.167 3.915 10.501 1.00 0.00 C ATOM 821 CE2 TYR A 58 -5.916 2.308 10.233 1.00 0.00 C ATOM 822 CZ TYR A 58 -5.362 3.378 10.864 1.00 0.00 C ATOM 823 OH TYR A 58 -6.034 3.935 11.906 1.00 0.00 O ATOM 0 H TYR A 58 -1.366 3.128 7.633 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.828 0.499 8.827 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.147 2.345 6.762 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.817 0.778 7.170 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.504 3.731 9.088 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.621 0.867 8.610 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -3.761 4.765 11.028 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.868 1.911 10.552 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.872 3.449 12.052 1.00 0.00 H new ATOM 833 N VAL A 59 0.013 0.203 6.663 1.00 0.00 N ATOM 834 CA VAL A 59 0.654 -0.581 5.620 1.00 0.00 C ATOM 835 C VAL A 59 1.985 -1.126 6.142 1.00 0.00 C ATOM 836 O VAL A 59 2.707 -0.431 6.856 1.00 0.00 O ATOM 837 CB VAL A 59 0.809 0.262 4.353 1.00 0.00 C ATOM 838 CG1 VAL A 59 -0.542 0.818 3.896 1.00 0.00 C ATOM 839 CG2 VAL A 59 1.822 1.388 4.564 1.00 0.00 C ATOM 0 H VAL A 59 0.656 0.705 7.275 1.00 0.00 H new ATOM 0 HA VAL A 59 0.035 -1.437 5.351 1.00 0.00 H new ATOM 0 HB VAL A 59 1.189 -0.386 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.404 1.414 2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.223 -0.007 3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.963 1.444 4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.913 1.972 3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.484 2.034 5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.792 0.962 4.820 1.00 0.00 H new ATOM 849 N LYS A 60 2.269 -2.364 5.766 1.00 0.00 N ATOM 850 CA LYS A 60 3.500 -3.010 6.187 1.00 0.00 C ATOM 851 C LYS A 60 4.312 -3.405 4.952 1.00 0.00 C ATOM 852 O LYS A 60 3.753 -3.607 3.876 1.00 0.00 O ATOM 853 CB LYS A 60 3.198 -4.181 7.124 1.00 0.00 C ATOM 854 CG LYS A 60 2.591 -5.356 6.355 1.00 0.00 C ATOM 855 CD LYS A 60 2.659 -6.644 7.178 1.00 0.00 C ATOM 856 CE LYS A 60 3.432 -7.732 6.431 1.00 0.00 C ATOM 857 NZ LYS A 60 3.969 -8.732 7.381 1.00 0.00 N ATOM 0 H LYS A 60 1.667 -2.937 5.174 1.00 0.00 H new ATOM 0 HA LYS A 60 4.114 -2.319 6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.115 -4.501 7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.509 -3.858 7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.553 -5.134 6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.123 -5.493 5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.140 -6.443 8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.650 -6.994 7.396 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.777 -8.222 5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.249 -7.283 5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.491 -9.463 6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.610 -8.263 8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.184 -9.173 7.902 1.00 0.00 H new ATOM 871 N PRO A 61 5.654 -3.506 5.154 1.00 0.00 N ATOM 872 CA PRO A 61 6.548 -3.873 4.070 1.00 0.00 C ATOM 873 C PRO A 61 6.448 -5.367 3.758 1.00 0.00 C ATOM 874 O PRO A 61 6.765 -6.204 4.603 1.00 0.00 O ATOM 875 CB PRO A 61 7.931 -3.456 4.543 1.00 0.00 C ATOM 876 CG PRO A 61 7.827 -3.300 6.051 1.00 0.00 C ATOM 877 CD PRO A 61 6.351 -3.274 6.415 1.00 0.00 C ATOM 0 HA PRO A 61 6.296 -3.379 3.132 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.677 -4.206 4.279 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.239 -2.521 4.074 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.330 -4.124 6.556 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.316 -2.381 6.375 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.110 -4.044 7.148 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.068 -2.317 6.854 1.00 0.00 H new ATOM 885 N LYS A 62 6.006 -5.658 2.544 1.00 0.00 N ATOM 886 CA LYS A 62 5.860 -7.037 2.110 1.00 0.00 C ATOM 887 C LYS A 62 7.178 -7.780 2.337 1.00 0.00 C ATOM 888 O LYS A 62 8.093 -7.692 1.519 1.00 0.00 O ATOM 889 CB LYS A 62 5.362 -7.094 0.665 1.00 0.00 C ATOM 890 CG LYS A 62 4.229 -8.112 0.515 1.00 0.00 C ATOM 891 CD LYS A 62 3.382 -7.811 -0.724 1.00 0.00 C ATOM 892 CE LYS A 62 4.035 -8.381 -1.985 1.00 0.00 C ATOM 893 NZ LYS A 62 3.243 -8.026 -3.184 1.00 0.00 N ATOM 0 H LYS A 62 5.744 -4.962 1.846 1.00 0.00 H new ATOM 0 HA LYS A 62 5.101 -7.546 2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.013 -6.108 0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.186 -7.361 0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.645 -9.117 0.440 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.599 -8.094 1.404 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.386 -8.237 -0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.256 -6.733 -0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.049 -7.993 -2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.115 -9.465 -1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.882 -7.878 -3.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.581 -8.797 -3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.709 -7.153 -3.001 1.00 0.00 H new ATOM 907 N ASP A 63 7.233 -8.496 3.450 1.00 0.00 N ATOM 908 CA ASP A 63 8.423 -9.254 3.795 1.00 0.00 C ATOM 909 C ASP A 63 8.452 -10.548 2.979 1.00 0.00 C ATOM 910 O ASP A 63 9.473 -10.888 2.383 1.00 0.00 O ATOM 911 CB ASP A 63 8.428 -9.630 5.278 1.00 0.00 C ATOM 912 CG ASP A 63 9.692 -9.234 6.042 1.00 0.00 C ATOM 913 OD1 ASP A 63 9.925 -8.011 6.160 1.00 0.00 O ATOM 914 OD2 ASP A 63 10.399 -10.162 6.490 1.00 0.00 O ATOM 0 H ASP A 63 6.472 -8.567 4.125 1.00 0.00 H new ATOM 0 HA ASP A 63 9.292 -8.633 3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.569 -9.161 5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.292 -10.708 5.364 1.00 0.00 H new ATOM 919 N SER A 64 7.320 -11.235 2.979 1.00 0.00 N ATOM 920 CA SER A 64 7.202 -12.485 2.246 1.00 0.00 C ATOM 921 C SER A 64 5.909 -12.492 1.429 1.00 0.00 C ATOM 922 O SER A 64 4.817 -12.574 1.989 1.00 0.00 O ATOM 923 CB SER A 64 7.238 -13.685 3.195 1.00 0.00 C ATOM 924 OG SER A 64 6.338 -13.528 4.288 1.00 0.00 O ATOM 0 H SER A 64 6.475 -10.950 3.475 1.00 0.00 H new ATOM 0 HA SER A 64 8.052 -12.567 1.569 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.985 -14.591 2.644 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.251 -13.816 3.575 1.00 0.00 H new ATOM 0 HG SER A 64 5.492 -13.154 3.964 1.00 0.00 H new ATOM 930 N GLY A 65 6.075 -12.407 0.117 1.00 0.00 N ATOM 931 CA GLY A 65 4.935 -12.403 -0.783 1.00 0.00 C ATOM 932 C GLY A 65 4.635 -13.813 -1.294 1.00 0.00 C ATOM 933 O GLY A 65 3.633 -14.416 -0.913 1.00 0.00 O ATOM 0 H GLY A 65 6.982 -12.340 -0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.061 -12.006 -0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.135 -11.742 -1.626 1.00 0.00 H new ATOM 937 N PRO A 66 5.545 -14.312 -2.173 1.00 0.00 N ATOM 938 CA PRO A 66 5.388 -15.640 -2.740 1.00 0.00 C ATOM 939 C PRO A 66 5.737 -16.720 -1.713 1.00 0.00 C ATOM 940 O PRO A 66 6.616 -16.524 -0.876 1.00 0.00 O ATOM 941 CB PRO A 66 6.302 -15.659 -3.955 1.00 0.00 C ATOM 942 CG PRO A 66 7.282 -14.514 -3.758 1.00 0.00 C ATOM 943 CD PRO A 66 6.744 -13.627 -2.647 1.00 0.00 C ATOM 0 HA PRO A 66 4.359 -15.855 -3.028 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.826 -16.612 -4.035 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.731 -15.531 -4.875 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.269 -14.897 -3.497 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.394 -13.945 -4.681 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.474 -13.508 -1.847 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.510 -12.628 -3.016 1.00 0.00 H new ATOM 951 N SER A 67 5.029 -17.836 -1.812 1.00 0.00 N ATOM 952 CA SER A 67 5.252 -18.946 -0.902 1.00 0.00 C ATOM 953 C SER A 67 4.944 -20.269 -1.606 1.00 0.00 C ATOM 954 O SER A 67 3.896 -20.414 -2.233 1.00 0.00 O ATOM 955 CB SER A 67 4.398 -18.805 0.359 1.00 0.00 C ATOM 956 OG SER A 67 4.710 -19.801 1.329 1.00 0.00 O ATOM 0 H SER A 67 4.301 -17.995 -2.508 1.00 0.00 H new ATOM 0 HA SER A 67 6.300 -18.936 -0.601 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.551 -17.817 0.792 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.343 -18.876 0.093 1.00 0.00 H new ATOM 0 HG SER A 67 4.145 -19.676 2.120 1.00 0.00 H new ATOM 962 N SER A 68 5.877 -21.201 -1.479 1.00 0.00 N ATOM 963 CA SER A 68 5.718 -22.508 -2.096 1.00 0.00 C ATOM 964 C SER A 68 5.472 -23.567 -1.020 1.00 0.00 C ATOM 965 O SER A 68 5.779 -23.351 0.151 1.00 0.00 O ATOM 966 CB SER A 68 6.946 -22.875 -2.931 1.00 0.00 C ATOM 967 OG SER A 68 6.624 -23.780 -3.984 1.00 0.00 O ATOM 0 H SER A 68 6.745 -21.078 -0.958 1.00 0.00 H new ATOM 0 HA SER A 68 4.857 -22.470 -2.763 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.382 -21.969 -3.352 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.702 -23.323 -2.286 1.00 0.00 H new ATOM 0 HG SER A 68 7.434 -23.989 -4.495 1.00 0.00 H new ATOM 973 N GLY A 69 4.921 -24.691 -1.456 1.00 0.00 N ATOM 974 CA GLY A 69 4.630 -25.785 -0.545 1.00 0.00 C ATOM 975 C GLY A 69 3.302 -25.556 0.180 1.00 0.00 C ATOM 976 O GLY A 69 3.200 -24.676 1.033 1.00 0.00 O ATOM 0 H GLY A 69 4.669 -24.867 -2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.589 -26.723 -1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.435 -25.880 0.184 1.00 0.00 H new TER 980 GLY A 69