USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 695 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 : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0.0927 USER MOD Single : C 16 GLN : amide:sc= -12.6! C(o=-13!,f=-22!) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= 0.134 K(o=0.13,f=-1.7!) USER MOD Single : C 21 LYS NZ :NH3+ 161:sc= -0.0752 (180deg=-0.717) USER MOD Single : C 35 CYS SG : rot 56:sc= 0.88 USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 38 THR OG1 : rot 180:sc= -0.0124 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl -170:sc= -2.27 (180deg=-2.64) USER MOD Single : C 47 MET CE :methyl -161:sc= -4.73! (180deg=-6.32!) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 51 ASN : amide:sc= -0.698! K(o=-0.7!,f=-1.5) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.514 USER MOD Single : C 58 GLN : amide:sc= -2.47! C(o=-2.5!,f=-3.1!) USER MOD Single : C 60 MET CE :methyl -174:sc= 0 (180deg=-0.0828) USER MOD Single : C 69 SER OG : rot 62:sc= -2.17! USER MOD Single : C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 80 MET CE :methyl -175:sc= -0.366 (180deg=-0.434) USER MOD Single : C 81 MET CE :methyl -147:sc= -6.84! (180deg=-8.84!) USER MOD Single : C 84 CYS SG : rot 180:sc= -2.19 USER MOD Single : C 85 MET CE :methyl 157:sc= -6.6! (180deg=-8.72!) USER MOD Single : C 86 LYS NZ :NH3+ 154:sc= -0.277 (180deg=-0.643) USER MOD Single : I 149 SER OG : rot 180:sc= 0 USER MOD Single : I 153 MET CE :methyl 136:sc= -13.8! (180deg=-17.7!) USER MOD Single : I 154 MET CE :methyl 149:sc= -1.71 (180deg=-2.74!) USER MOD Single : I 155 GLN : amide:sc= -1.89! K(o=-1.9!,f=-0.97) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 87.409 -16.031 -0.981 1.00 0.00 N ATOM 64 CA TYR C 5 86.892 -14.826 -0.339 1.00 0.00 C ATOM 65 C TYR C 5 85.767 -15.194 0.620 1.00 0.00 C ATOM 66 O TYR C 5 85.661 -14.651 1.720 1.00 0.00 O ATOM 67 CB TYR C 5 86.353 -13.847 -1.384 1.00 0.00 C ATOM 68 CG TYR C 5 87.445 -13.504 -2.369 1.00 0.00 C ATOM 69 CD1 TYR C 5 87.715 -14.362 -3.442 1.00 0.00 C ATOM 70 CD2 TYR C 5 88.188 -12.328 -2.209 1.00 0.00 C ATOM 71 CE1 TYR C 5 88.728 -14.043 -4.355 1.00 0.00 C ATOM 72 CE2 TYR C 5 89.200 -12.010 -3.121 1.00 0.00 C ATOM 73 CZ TYR C 5 89.471 -12.868 -4.195 1.00 0.00 C ATOM 74 OH TYR C 5 90.470 -12.555 -5.094 1.00 0.00 O ATOM 0 HA TYR C 5 87.708 -14.353 0.207 1.00 0.00 H new ATOM 0 HB2 TYR C 5 85.504 -14.288 -1.906 1.00 0.00 H new ATOM 0 HB3 TYR C 5 85.992 -12.942 -0.896 1.00 0.00 H new ATOM 0 HD1 TYR C 5 87.142 -15.269 -3.566 1.00 0.00 H new ATOM 0 HD2 TYR C 5 87.980 -11.666 -1.381 1.00 0.00 H new ATOM 0 HE1 TYR C 5 88.936 -14.704 -5.183 1.00 0.00 H new ATOM 0 HE2 TYR C 5 89.773 -11.103 -2.997 1.00 0.00 H new ATOM 0 HH TYR C 5 90.886 -11.705 -4.838 1.00 0.00 H new ATOM 84 N LYS C 6 84.929 -16.132 0.187 1.00 0.00 N ATOM 85 CA LYS C 6 83.810 -16.584 1.006 1.00 0.00 C ATOM 86 C LYS C 6 84.273 -16.835 2.437 1.00 0.00 C ATOM 87 O LYS C 6 83.636 -16.401 3.397 1.00 0.00 O ATOM 88 CB LYS C 6 83.219 -17.875 0.434 1.00 0.00 C ATOM 89 CG LYS C 6 82.214 -17.531 -0.667 1.00 0.00 C ATOM 90 CD LYS C 6 80.856 -17.215 -0.038 1.00 0.00 C ATOM 91 CE LYS C 6 79.744 -17.527 -1.041 1.00 0.00 C ATOM 92 NZ LYS C 6 79.341 -16.274 -1.742 1.00 0.00 N ATOM 0 H LYS C 6 85.003 -16.591 -0.721 1.00 0.00 H new ATOM 0 HA LYS C 6 83.047 -15.806 1.002 1.00 0.00 H new ATOM 0 HB2 LYS C 6 84.013 -18.505 0.033 1.00 0.00 H new ATOM 0 HB3 LYS C 6 82.729 -18.445 1.224 1.00 0.00 H new ATOM 0 HG2 LYS C 6 82.568 -16.676 -1.243 1.00 0.00 H new ATOM 0 HG3 LYS C 6 82.120 -18.366 -1.362 1.00 0.00 H new ATOM 0 HD2 LYS C 6 80.718 -17.803 0.869 1.00 0.00 H new ATOM 0 HD3 LYS C 6 80.814 -16.165 0.253 1.00 0.00 H new ATOM 0 HE2 LYS C 6 80.089 -18.266 -1.764 1.00 0.00 H new ATOM 0 HE3 LYS C 6 78.886 -17.960 -0.526 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 78.585 -16.486 -2.424 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 78.996 -15.582 -1.046 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 80.161 -15.879 -2.245 1.00 0.00 H new ATOM 106 N ALA C 7 85.395 -17.538 2.568 1.00 0.00 N ATOM 107 CA ALA C 7 85.944 -17.838 3.888 1.00 0.00 C ATOM 108 C ALA C 7 86.338 -16.547 4.596 1.00 0.00 C ATOM 109 O ALA C 7 85.811 -16.217 5.658 1.00 0.00 O ATOM 110 CB ALA C 7 87.175 -18.738 3.765 1.00 0.00 C ATOM 0 H ALA C 7 85.937 -17.907 1.786 1.00 0.00 H new ATOM 0 HA ALA C 7 85.178 -18.355 4.467 1.00 0.00 H new ATOM 0 HB1 ALA C 7 87.571 -18.951 4.758 1.00 0.00 H new ATOM 0 HB2 ALA C 7 86.896 -19.672 3.278 1.00 0.00 H new ATOM 0 HB3 ALA C 7 87.937 -18.233 3.172 1.00 0.00 H new ATOM 116 N ALA C 8 87.270 -15.817 3.990 1.00 0.00 N ATOM 117 CA ALA C 8 87.727 -14.555 4.565 1.00 0.00 C ATOM 118 C ALA C 8 86.532 -13.674 4.911 1.00 0.00 C ATOM 119 O ALA C 8 86.565 -12.902 5.869 1.00 0.00 O ATOM 120 CB ALA C 8 88.627 -13.811 3.576 1.00 0.00 C ATOM 0 H ALA C 8 87.719 -16.073 3.111 1.00 0.00 H new ATOM 0 HA ALA C 8 88.293 -14.777 5.470 1.00 0.00 H new ATOM 0 HB1 ALA C 8 88.959 -12.873 4.021 1.00 0.00 H new ATOM 0 HB2 ALA C 8 89.495 -14.427 3.339 1.00 0.00 H new ATOM 0 HB3 ALA C 8 88.070 -13.603 2.663 1.00 0.00 H new ATOM 126 N VAL C 9 85.471 -13.805 4.118 1.00 0.00 N ATOM 127 CA VAL C 9 84.260 -13.024 4.344 1.00 0.00 C ATOM 128 C VAL C 9 83.403 -13.690 5.417 1.00 0.00 C ATOM 129 O VAL C 9 82.570 -13.047 6.056 1.00 0.00 O ATOM 130 CB VAL C 9 83.452 -12.902 3.048 1.00 0.00 C ATOM 131 CG1 VAL C 9 82.038 -12.404 3.359 1.00 0.00 C ATOM 132 CG2 VAL C 9 84.142 -11.905 2.114 1.00 0.00 C ATOM 0 H VAL C 9 85.426 -14.439 3.320 1.00 0.00 H new ATOM 0 HA VAL C 9 84.549 -12.027 4.677 1.00 0.00 H new ATOM 0 HB VAL C 9 83.392 -13.880 2.570 1.00 0.00 H new ATOM 0 HG11 VAL C 9 81.470 -12.320 2.433 1.00 0.00 H new ATOM 0 HG12 VAL C 9 81.542 -13.109 4.026 1.00 0.00 H new ATOM 0 HG13 VAL C 9 82.094 -11.428 3.840 1.00 0.00 H new ATOM 0 HG21 VAL C 9 83.570 -11.816 1.191 1.00 0.00 H new ATOM 0 HG22 VAL C 9 84.201 -10.931 2.600 1.00 0.00 H new ATOM 0 HG23 VAL C 9 85.148 -12.257 1.885 1.00 0.00 H new ATOM 142 N GLU C 10 83.627 -14.987 5.612 1.00 0.00 N ATOM 143 CA GLU C 10 82.880 -15.735 6.618 1.00 0.00 C ATOM 144 C GLU C 10 83.456 -15.451 7.997 1.00 0.00 C ATOM 145 O GLU C 10 82.734 -15.104 8.933 1.00 0.00 O ATOM 146 CB GLU C 10 82.957 -17.237 6.341 1.00 0.00 C ATOM 147 CG GLU C 10 82.048 -17.586 5.161 1.00 0.00 C ATOM 148 CD GLU C 10 80.767 -18.230 5.679 1.00 0.00 C ATOM 149 OE1 GLU C 10 80.863 -19.270 6.308 1.00 0.00 O ATOM 150 OE2 GLU C 10 79.708 -17.672 5.439 1.00 0.00 O ATOM 0 H GLU C 10 84.312 -15.536 5.093 1.00 0.00 H new ATOM 0 HA GLU C 10 81.837 -15.421 6.578 1.00 0.00 H new ATOM 0 HB2 GLU C 10 83.985 -17.524 6.119 1.00 0.00 H new ATOM 0 HB3 GLU C 10 82.653 -17.797 7.226 1.00 0.00 H new ATOM 0 HG2 GLU C 10 81.811 -16.687 4.592 1.00 0.00 H new ATOM 0 HG3 GLU C 10 82.561 -18.267 4.482 1.00 0.00 H new ATOM 157 N GLN C 11 84.773 -15.589 8.104 1.00 0.00 N ATOM 158 CA GLN C 11 85.457 -15.332 9.365 1.00 0.00 C ATOM 159 C GLN C 11 84.914 -14.061 9.996 1.00 0.00 C ATOM 160 O GLN C 11 84.768 -13.961 11.214 1.00 0.00 O ATOM 161 CB GLN C 11 86.953 -15.149 9.123 1.00 0.00 C ATOM 162 CG GLN C 11 87.569 -16.482 8.694 1.00 0.00 C ATOM 163 CD GLN C 11 88.471 -17.009 9.805 1.00 0.00 C ATOM 164 OE1 GLN C 11 88.003 -17.671 10.732 1.00 0.00 O ATOM 165 NE2 GLN C 11 89.750 -16.755 9.767 1.00 0.00 N ATOM 0 H GLN C 11 85.384 -15.875 7.339 1.00 0.00 H new ATOM 0 HA GLN C 11 85.290 -16.181 10.027 1.00 0.00 H new ATOM 0 HB2 GLN C 11 87.118 -14.396 8.353 1.00 0.00 H new ATOM 0 HB3 GLN C 11 87.437 -14.788 10.030 1.00 0.00 H new ATOM 0 HG2 GLN C 11 86.782 -17.205 8.477 1.00 0.00 H new ATOM 0 HG3 GLN C 11 88.143 -16.351 7.777 1.00 0.00 H new ATOM 0 HE21 GLN C 11 90.139 -16.207 9.000 1.00 0.00 H new ATOM 0 HE22 GLN C 11 90.362 -17.105 10.505 1.00 0.00 H new ATOM 174 N LEU C 12 84.630 -13.086 9.142 1.00 0.00 N ATOM 175 CA LEU C 12 84.115 -11.806 9.603 1.00 0.00 C ATOM 176 C LEU C 12 82.802 -11.987 10.357 1.00 0.00 C ATOM 177 O LEU C 12 81.863 -12.607 9.858 1.00 0.00 O ATOM 178 CB LEU C 12 83.883 -10.871 8.415 1.00 0.00 C ATOM 179 CG LEU C 12 85.195 -10.668 7.651 1.00 0.00 C ATOM 180 CD1 LEU C 12 85.075 -9.433 6.757 1.00 0.00 C ATOM 181 CD2 LEU C 12 86.347 -10.466 8.643 1.00 0.00 C ATOM 0 H LEU C 12 84.747 -13.158 8.131 1.00 0.00 H new ATOM 0 HA LEU C 12 84.854 -11.371 10.276 1.00 0.00 H new ATOM 0 HB2 LEU C 12 83.127 -11.291 7.752 1.00 0.00 H new ATOM 0 HB3 LEU C 12 83.503 -9.911 8.765 1.00 0.00 H new ATOM 0 HG LEU C 12 85.395 -11.548 7.039 1.00 0.00 H new ATOM 0 HD11 LEU C 12 86.008 -9.286 6.212 1.00 0.00 H new ATOM 0 HD12 LEU C 12 84.259 -9.575 6.048 1.00 0.00 H new ATOM 0 HD13 LEU C 12 84.873 -8.556 7.373 1.00 0.00 H new ATOM 0 HD21 LEU C 12 87.278 -10.322 8.095 1.00 0.00 H new ATOM 0 HD22 LEU C 12 86.148 -9.588 9.258 1.00 0.00 H new ATOM 0 HD23 LEU C 12 86.435 -11.344 9.283 1.00 0.00 H new ATOM 193 N THR C 13 82.748 -11.432 11.563 1.00 0.00 N ATOM 194 CA THR C 13 81.545 -11.528 12.382 1.00 0.00 C ATOM 195 C THR C 13 80.651 -10.316 12.143 1.00 0.00 C ATOM 196 O THR C 13 81.126 -9.237 11.791 1.00 0.00 O ATOM 197 CB THR C 13 81.908 -11.597 13.868 1.00 0.00 C ATOM 198 OG1 THR C 13 83.242 -11.141 14.050 1.00 0.00 O ATOM 199 CG2 THR C 13 81.788 -13.041 14.356 1.00 0.00 C ATOM 0 H THR C 13 83.516 -10.915 11.992 1.00 0.00 H new ATOM 0 HA THR C 13 81.014 -12.438 12.101 1.00 0.00 H new ATOM 0 HB THR C 13 81.228 -10.965 14.439 1.00 0.00 H new ATOM 0 HG1 THR C 13 83.475 -11.183 15.001 1.00 0.00 H new ATOM 0 HG21 THR C 13 82.046 -13.090 15.414 1.00 0.00 H new ATOM 0 HG22 THR C 13 80.764 -13.389 14.216 1.00 0.00 H new ATOM 0 HG23 THR C 13 82.468 -13.675 13.787 1.00 0.00 H new ATOM 207 N GLU C 14 79.350 -10.506 12.335 1.00 0.00 N ATOM 208 CA GLU C 14 78.396 -9.420 12.134 1.00 0.00 C ATOM 209 C GLU C 14 78.976 -8.102 12.637 1.00 0.00 C ATOM 210 O GLU C 14 78.723 -7.039 12.071 1.00 0.00 O ATOM 211 CB GLU C 14 77.093 -9.708 12.881 1.00 0.00 C ATOM 212 CG GLU C 14 75.959 -8.884 12.268 1.00 0.00 C ATOM 213 CD GLU C 14 75.116 -8.271 13.381 1.00 0.00 C ATOM 214 OE1 GLU C 14 75.036 -8.876 14.437 1.00 0.00 O ATOM 215 OE2 GLU C 14 74.565 -7.205 13.161 1.00 0.00 O ATOM 0 H GLU C 14 78.935 -11.391 12.626 1.00 0.00 H new ATOM 0 HA GLU C 14 78.193 -9.344 11.066 1.00 0.00 H new ATOM 0 HB2 GLU C 14 76.856 -10.770 12.824 1.00 0.00 H new ATOM 0 HB3 GLU C 14 77.205 -9.462 13.937 1.00 0.00 H new ATOM 0 HG2 GLU C 14 76.368 -8.098 11.633 1.00 0.00 H new ATOM 0 HG3 GLU C 14 75.338 -9.516 11.633 1.00 0.00 H new ATOM 222 N GLU C 15 79.758 -8.185 13.709 1.00 0.00 N ATOM 223 CA GLU C 15 80.371 -6.993 14.286 1.00 0.00 C ATOM 224 C GLU C 15 81.088 -6.182 13.212 1.00 0.00 C ATOM 225 O GLU C 15 80.747 -5.028 12.955 1.00 0.00 O ATOM 226 CB GLU C 15 81.381 -7.375 15.369 1.00 0.00 C ATOM 227 CG GLU C 15 80.717 -8.310 16.381 1.00 0.00 C ATOM 228 CD GLU C 15 80.997 -7.810 17.794 1.00 0.00 C ATOM 229 OE1 GLU C 15 82.022 -7.177 17.985 1.00 0.00 O ATOM 230 OE2 GLU C 15 80.181 -8.066 18.664 1.00 0.00 O ATOM 0 H GLU C 15 79.981 -9.055 14.192 1.00 0.00 H new ATOM 0 HA GLU C 15 79.574 -6.393 14.725 1.00 0.00 H new ATOM 0 HB2 GLU C 15 82.245 -7.864 14.919 1.00 0.00 H new ATOM 0 HB3 GLU C 15 81.747 -6.480 15.871 1.00 0.00 H new ATOM 0 HG2 GLU C 15 79.642 -8.350 16.204 1.00 0.00 H new ATOM 0 HG3 GLU C 15 81.098 -9.324 16.260 1.00 0.00 H new ATOM 237 N GLN C 16 82.095 -6.795 12.593 1.00 0.00 N ATOM 238 CA GLN C 16 82.859 -6.109 11.556 1.00 0.00 C ATOM 239 C GLN C 16 81.970 -5.793 10.353 1.00 0.00 C ATOM 240 O GLN C 16 82.126 -4.759 9.704 1.00 0.00 O ATOM 241 CB GLN C 16 84.059 -6.959 11.107 1.00 0.00 C ATOM 242 CG GLN C 16 83.627 -7.977 10.048 1.00 0.00 C ATOM 243 CD GLN C 16 83.792 -7.366 8.659 1.00 0.00 C ATOM 244 OE1 GLN C 16 82.819 -7.220 7.919 1.00 0.00 O ATOM 245 NE2 GLN C 16 84.978 -6.996 8.259 1.00 0.00 N ATOM 0 H GLN C 16 82.397 -7.750 12.788 1.00 0.00 H new ATOM 0 HA GLN C 16 83.230 -5.175 11.977 1.00 0.00 H new ATOM 0 HB2 GLN C 16 84.839 -6.313 10.703 1.00 0.00 H new ATOM 0 HB3 GLN C 16 84.487 -7.477 11.965 1.00 0.00 H new ATOM 0 HG2 GLN C 16 84.227 -8.883 10.132 1.00 0.00 H new ATOM 0 HG3 GLN C 16 82.589 -8.267 10.209 1.00 0.00 H new ATOM 0 HE21 GLN C 16 85.784 -7.117 8.872 1.00 0.00 H new ATOM 0 HE22 GLN C 16 85.099 -6.586 7.333 1.00 0.00 H new ATOM 254 N LYS C 17 81.035 -6.694 10.065 1.00 0.00 N ATOM 255 CA LYS C 17 80.128 -6.497 8.939 1.00 0.00 C ATOM 256 C LYS C 17 79.411 -5.157 9.069 1.00 0.00 C ATOM 257 O LYS C 17 79.226 -4.437 8.088 1.00 0.00 O ATOM 258 CB LYS C 17 79.088 -7.617 8.880 1.00 0.00 C ATOM 259 CG LYS C 17 79.793 -8.958 8.668 1.00 0.00 C ATOM 260 CD LYS C 17 80.579 -8.923 7.356 1.00 0.00 C ATOM 261 CE LYS C 17 80.235 -10.158 6.522 1.00 0.00 C ATOM 262 NZ LYS C 17 80.010 -9.753 5.106 1.00 0.00 N ATOM 0 H LYS C 17 80.886 -7.557 10.588 1.00 0.00 H new ATOM 0 HA LYS C 17 80.719 -6.510 8.023 1.00 0.00 H new ATOM 0 HB2 LYS C 17 78.510 -7.640 9.804 1.00 0.00 H new ATOM 0 HB3 LYS C 17 78.384 -7.432 8.068 1.00 0.00 H new ATOM 0 HG2 LYS C 17 80.465 -9.162 9.501 1.00 0.00 H new ATOM 0 HG3 LYS C 17 79.061 -9.765 8.644 1.00 0.00 H new ATOM 0 HD2 LYS C 17 80.339 -8.017 6.800 1.00 0.00 H new ATOM 0 HD3 LYS C 17 81.649 -8.896 7.561 1.00 0.00 H new ATOM 0 HE2 LYS C 17 81.044 -10.886 6.579 1.00 0.00 H new ATOM 0 HE3 LYS C 17 79.343 -10.642 6.919 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 79.776 -10.592 4.538 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 79.224 -9.074 5.060 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 80.873 -9.310 4.730 1.00 0.00 H new ATOM 276 N ASN C 18 79.014 -4.830 10.295 1.00 0.00 N ATOM 277 CA ASN C 18 78.320 -3.571 10.551 1.00 0.00 C ATOM 278 C ASN C 18 79.222 -2.391 10.204 1.00 0.00 C ATOM 279 O ASN C 18 79.017 -1.707 9.202 1.00 0.00 O ATOM 280 CB ASN C 18 77.913 -3.470 12.022 1.00 0.00 C ATOM 281 CG ASN C 18 76.675 -4.324 12.269 1.00 0.00 C ATOM 282 OD1 ASN C 18 75.825 -4.466 11.390 1.00 0.00 O ATOM 283 ND2 ASN C 18 76.520 -4.906 13.427 1.00 0.00 N ATOM 0 H ASN C 18 79.159 -5.412 11.120 1.00 0.00 H new ATOM 0 HA ASN C 18 77.426 -3.546 9.927 1.00 0.00 H new ATOM 0 HB2 ASN C 18 78.731 -3.804 12.660 1.00 0.00 H new ATOM 0 HB3 ASN C 18 77.709 -2.432 12.283 1.00 0.00 H new ATOM 0 HD21 ASN C 18 75.695 -5.479 13.604 1.00 0.00 H new ATOM 0 HD22 ASN C 18 77.224 -4.788 14.155 1.00 0.00 H new ATOM 290 N GLU C 19 80.226 -2.165 11.046 1.00 0.00 N ATOM 291 CA GLU C 19 81.162 -1.067 10.823 1.00 0.00 C ATOM 292 C GLU C 19 81.475 -0.931 9.336 1.00 0.00 C ATOM 293 O GLU C 19 81.755 0.162 8.844 1.00 0.00 O ATOM 294 CB GLU C 19 82.464 -1.309 11.589 1.00 0.00 C ATOM 295 CG GLU C 19 82.875 -2.777 11.452 1.00 0.00 C ATOM 296 CD GLU C 19 84.155 -3.024 12.242 1.00 0.00 C ATOM 297 OE1 GLU C 19 84.372 -2.322 13.215 1.00 0.00 O ATOM 298 OE2 GLU C 19 84.900 -3.912 11.862 1.00 0.00 O ATOM 0 H GLU C 19 80.412 -2.721 11.881 1.00 0.00 H new ATOM 0 HA GLU C 19 80.698 -0.149 11.182 1.00 0.00 H new ATOM 0 HB2 GLU C 19 83.251 -0.663 11.201 1.00 0.00 H new ATOM 0 HB3 GLU C 19 82.332 -1.054 12.641 1.00 0.00 H new ATOM 0 HG2 GLU C 19 82.078 -3.424 11.819 1.00 0.00 H new ATOM 0 HG3 GLU C 19 83.030 -3.026 10.402 1.00 0.00 H new ATOM 305 N PHE C 20 81.424 -2.055 8.626 1.00 0.00 N ATOM 306 CA PHE C 20 81.702 -2.051 7.193 1.00 0.00 C ATOM 307 C PHE C 20 80.533 -1.441 6.424 1.00 0.00 C ATOM 308 O PHE C 20 80.663 -0.387 5.802 1.00 0.00 O ATOM 309 CB PHE C 20 81.935 -3.477 6.688 1.00 0.00 C ATOM 310 CG PHE C 20 83.325 -3.595 6.107 1.00 0.00 C ATOM 311 CD1 PHE C 20 83.886 -2.524 5.401 1.00 0.00 C ATOM 312 CD2 PHE C 20 84.053 -4.779 6.274 1.00 0.00 C ATOM 313 CE1 PHE C 20 85.174 -2.637 4.863 1.00 0.00 C ATOM 314 CE2 PHE C 20 85.340 -4.893 5.736 1.00 0.00 C ATOM 315 CZ PHE C 20 85.901 -3.821 5.031 1.00 0.00 C ATOM 0 H PHE C 20 81.195 -2.970 9.014 1.00 0.00 H new ATOM 0 HA PHE C 20 82.599 -1.454 7.028 1.00 0.00 H new ATOM 0 HB2 PHE C 20 81.812 -4.187 7.506 1.00 0.00 H new ATOM 0 HB3 PHE C 20 81.192 -3.730 5.932 1.00 0.00 H new ATOM 0 HD1 PHE C 20 83.325 -1.610 5.271 1.00 0.00 H new ATOM 0 HD2 PHE C 20 83.621 -5.605 6.819 1.00 0.00 H new ATOM 0 HE1 PHE C 20 85.606 -1.811 4.318 1.00 0.00 H new ATOM 0 HE2 PHE C 20 85.900 -5.807 5.865 1.00 0.00 H new ATOM 0 HZ PHE C 20 86.895 -3.908 4.617 1.00 0.00 H new ATOM 325 N LYS C 21 79.390 -2.121 6.473 1.00 0.00 N ATOM 326 CA LYS C 21 78.198 -1.643 5.777 1.00 0.00 C ATOM 327 C LYS C 21 77.987 -0.155 6.035 1.00 0.00 C ATOM 328 O LYS C 21 77.708 0.617 5.119 1.00 0.00 O ATOM 329 CB LYS C 21 76.962 -2.411 6.247 1.00 0.00 C ATOM 330 CG LYS C 21 77.135 -3.897 5.932 1.00 0.00 C ATOM 331 CD LYS C 21 75.877 -4.421 5.236 1.00 0.00 C ATOM 332 CE LYS C 21 74.760 -4.601 6.267 1.00 0.00 C ATOM 333 NZ LYS C 21 73.870 -3.405 6.249 1.00 0.00 N ATOM 0 H LYS C 21 79.264 -2.996 6.982 1.00 0.00 H new ATOM 0 HA LYS C 21 78.344 -1.807 4.709 1.00 0.00 H new ATOM 0 HB2 LYS C 21 76.818 -2.270 7.318 1.00 0.00 H new ATOM 0 HB3 LYS C 21 76.071 -2.025 5.752 1.00 0.00 H new ATOM 0 HG2 LYS C 21 78.006 -4.045 5.293 1.00 0.00 H new ATOM 0 HG3 LYS C 21 77.315 -4.456 6.850 1.00 0.00 H new ATOM 0 HD2 LYS C 21 75.561 -3.724 4.460 1.00 0.00 H new ATOM 0 HD3 LYS C 21 76.089 -5.371 4.745 1.00 0.00 H new ATOM 0 HE2 LYS C 21 74.185 -5.499 6.043 1.00 0.00 H new ATOM 0 HE3 LYS C 21 75.186 -4.736 7.261 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 72.958 -3.644 6.689 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 74.318 -2.631 6.779 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 73.712 -3.105 5.266 1.00 0.00 H new ATOM 347 N ALA C 22 78.124 0.238 7.296 1.00 0.00 N ATOM 348 CA ALA C 22 77.950 1.640 7.665 1.00 0.00 C ATOM 349 C ALA C 22 78.623 2.543 6.638 1.00 0.00 C ATOM 350 O ALA C 22 78.004 3.456 6.095 1.00 0.00 O ATOM 351 CB ALA C 22 78.555 1.910 9.044 1.00 0.00 C ATOM 0 H ALA C 22 78.352 -0.384 8.072 1.00 0.00 H new ATOM 0 HA ALA C 22 76.882 1.854 7.693 1.00 0.00 H new ATOM 0 HB1 ALA C 22 78.416 2.960 9.303 1.00 0.00 H new ATOM 0 HB2 ALA C 22 78.060 1.284 9.787 1.00 0.00 H new ATOM 0 HB3 ALA C 22 79.620 1.678 9.026 1.00 0.00 H new ATOM 357 N ALA C 23 79.898 2.274 6.374 1.00 0.00 N ATOM 358 CA ALA C 23 80.644 3.069 5.405 1.00 0.00 C ATOM 359 C ALA C 23 80.058 2.889 4.008 1.00 0.00 C ATOM 360 O ALA C 23 80.196 3.756 3.145 1.00 0.00 O ATOM 361 CB ALA C 23 82.115 2.656 5.390 1.00 0.00 C ATOM 0 H ALA C 23 80.430 1.522 6.811 1.00 0.00 H new ATOM 0 HA ALA C 23 80.569 4.116 5.698 1.00 0.00 H new ATOM 0 HB1 ALA C 23 82.655 3.260 4.661 1.00 0.00 H new ATOM 0 HB2 ALA C 23 82.546 2.810 6.379 1.00 0.00 H new ATOM 0 HB3 ALA C 23 82.195 1.603 5.119 1.00 0.00 H new ATOM 367 N PHE C 24 79.394 1.756 3.799 1.00 0.00 N ATOM 368 CA PHE C 24 78.778 1.475 2.506 1.00 0.00 C ATOM 369 C PHE C 24 77.542 2.345 2.322 1.00 0.00 C ATOM 370 O PHE C 24 77.093 2.589 1.202 1.00 0.00 O ATOM 371 CB PHE C 24 78.363 0.003 2.408 1.00 0.00 C ATOM 372 CG PHE C 24 79.581 -0.892 2.493 1.00 0.00 C ATOM 373 CD1 PHE C 24 80.869 -0.352 2.375 1.00 0.00 C ATOM 374 CD2 PHE C 24 79.417 -2.269 2.688 1.00 0.00 C ATOM 375 CE1 PHE C 24 81.989 -1.188 2.452 1.00 0.00 C ATOM 376 CE2 PHE C 24 80.537 -3.104 2.766 1.00 0.00 C ATOM 377 CZ PHE C 24 81.823 -2.564 2.648 1.00 0.00 C ATOM 0 H PHE C 24 79.269 1.025 4.499 1.00 0.00 H new ATOM 0 HA PHE C 24 79.510 1.693 1.729 1.00 0.00 H new ATOM 0 HB2 PHE C 24 77.668 -0.240 3.211 1.00 0.00 H new ATOM 0 HB3 PHE C 24 77.839 -0.173 1.469 1.00 0.00 H new ATOM 0 HD1 PHE C 24 80.997 0.710 2.225 1.00 0.00 H new ATOM 0 HD2 PHE C 24 78.425 -2.687 2.778 1.00 0.00 H new ATOM 0 HE1 PHE C 24 82.981 -0.771 2.360 1.00 0.00 H new ATOM 0 HE2 PHE C 24 80.409 -4.166 2.917 1.00 0.00 H new ATOM 0 HZ PHE C 24 82.687 -3.209 2.708 1.00 0.00 H new ATOM 387 N ASP C 25 76.997 2.809 3.443 1.00 0.00 N ATOM 388 CA ASP C 25 75.808 3.654 3.412 1.00 0.00 C ATOM 389 C ASP C 25 76.191 5.118 3.218 1.00 0.00 C ATOM 390 O ASP C 25 75.348 6.010 3.309 1.00 0.00 O ATOM 391 CB ASP C 25 75.019 3.515 4.715 1.00 0.00 C ATOM 392 CG ASP C 25 74.073 2.325 4.611 1.00 0.00 C ATOM 393 OD1 ASP C 25 73.296 2.290 3.670 1.00 0.00 O ATOM 394 OD2 ASP C 25 74.138 1.464 5.473 1.00 0.00 O ATOM 0 H ASP C 25 77.357 2.616 4.378 1.00 0.00 H new ATOM 0 HA ASP C 25 75.190 3.329 2.575 1.00 0.00 H new ATOM 0 HB2 ASP C 25 75.702 3.378 5.553 1.00 0.00 H new ATOM 0 HB3 ASP C 25 74.454 4.427 4.910 1.00 0.00 H new ATOM 399 N ILE C 26 77.471 5.357 2.944 1.00 0.00 N ATOM 400 CA ILE C 26 77.948 6.719 2.735 1.00 0.00 C ATOM 401 C ILE C 26 78.274 6.933 1.261 1.00 0.00 C ATOM 402 O ILE C 26 77.593 7.683 0.562 1.00 0.00 O ATOM 403 CB ILE C 26 79.200 6.999 3.571 1.00 0.00 C ATOM 404 CG1 ILE C 26 79.255 6.036 4.762 1.00 0.00 C ATOM 405 CG2 ILE C 26 79.151 8.438 4.085 1.00 0.00 C ATOM 406 CD1 ILE C 26 78.158 6.400 5.765 1.00 0.00 C ATOM 0 H ILE C 26 78.187 4.635 2.863 1.00 0.00 H new ATOM 0 HA ILE C 26 77.159 7.403 3.046 1.00 0.00 H new ATOM 0 HB ILE C 26 80.087 6.857 2.953 1.00 0.00 H new ATOM 0 HG12 ILE C 26 79.123 5.010 4.420 1.00 0.00 H new ATOM 0 HG13 ILE C 26 80.233 6.089 5.241 1.00 0.00 H new ATOM 0 HG21 ILE C 26 80.041 8.642 4.681 1.00 0.00 H new ATOM 0 HG22 ILE C 26 79.115 9.125 3.240 1.00 0.00 H new ATOM 0 HG23 ILE C 26 78.262 8.574 4.701 1.00 0.00 H new ATOM 0 HD11 ILE C 26 78.197 5.715 6.612 1.00 0.00 H new ATOM 0 HD12 ILE C 26 78.310 7.420 6.116 1.00 0.00 H new ATOM 0 HD13 ILE C 26 77.184 6.324 5.282 1.00 0.00 H new ATOM 418 N PHE C 27 79.318 6.253 0.794 1.00 0.00 N ATOM 419 CA PHE C 27 79.719 6.366 -0.605 1.00 0.00 C ATOM 420 C PHE C 27 78.487 6.316 -1.500 1.00 0.00 C ATOM 421 O PHE C 27 78.425 6.973 -2.539 1.00 0.00 O ATOM 422 CB PHE C 27 80.661 5.224 -0.987 1.00 0.00 C ATOM 423 CG PHE C 27 81.778 5.129 0.025 1.00 0.00 C ATOM 424 CD1 PHE C 27 82.788 6.099 0.047 1.00 0.00 C ATOM 425 CD2 PHE C 27 81.804 4.071 0.941 1.00 0.00 C ATOM 426 CE1 PHE C 27 83.824 6.010 0.985 1.00 0.00 C ATOM 427 CE2 PHE C 27 82.840 3.981 1.878 1.00 0.00 C ATOM 428 CZ PHE C 27 83.850 4.951 1.901 1.00 0.00 C ATOM 0 H PHE C 27 79.895 5.626 1.355 1.00 0.00 H new ATOM 0 HA PHE C 27 80.237 7.316 -0.739 1.00 0.00 H new ATOM 0 HB2 PHE C 27 80.111 4.284 -1.026 1.00 0.00 H new ATOM 0 HB3 PHE C 27 81.072 5.395 -1.982 1.00 0.00 H new ATOM 0 HD1 PHE C 27 82.768 6.916 -0.659 1.00 0.00 H new ATOM 0 HD2 PHE C 27 81.024 3.324 0.925 1.00 0.00 H new ATOM 0 HE1 PHE C 27 84.603 6.758 1.002 1.00 0.00 H new ATOM 0 HE2 PHE C 27 82.860 3.163 2.583 1.00 0.00 H new ATOM 0 HZ PHE C 27 84.649 4.882 2.625 1.00 0.00 H new ATOM 438 N VAL C 28 77.505 5.527 -1.075 1.00 0.00 N ATOM 439 CA VAL C 28 76.265 5.388 -1.830 1.00 0.00 C ATOM 440 C VAL C 28 75.100 5.966 -1.033 1.00 0.00 C ATOM 441 O VAL C 28 73.968 5.492 -1.125 1.00 0.00 O ATOM 442 CB VAL C 28 75.982 3.915 -2.135 1.00 0.00 C ATOM 443 CG1 VAL C 28 77.249 3.252 -2.677 1.00 0.00 C ATOM 444 CG2 VAL C 28 75.544 3.203 -0.853 1.00 0.00 C ATOM 0 H VAL C 28 77.543 4.977 -0.217 1.00 0.00 H new ATOM 0 HA VAL C 28 76.375 5.932 -2.768 1.00 0.00 H new ATOM 0 HB VAL C 28 75.189 3.846 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL C 28 77.047 2.203 -2.894 1.00 0.00 H new ATOM 0 HG12 VAL C 28 77.562 3.758 -3.591 1.00 0.00 H new ATOM 0 HG13 VAL C 28 78.043 3.322 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL C 28 75.342 2.154 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL C 28 76.337 3.274 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL C 28 74.640 3.674 -0.466 1.00 0.00 H new ATOM 454 N LEU C 29 75.396 6.999 -0.247 1.00 0.00 N ATOM 455 CA LEU C 29 74.371 7.643 0.569 1.00 0.00 C ATOM 456 C LEU C 29 73.355 8.367 -0.315 1.00 0.00 C ATOM 457 O LEU C 29 72.323 8.843 0.158 1.00 0.00 O ATOM 458 CB LEU C 29 75.017 8.635 1.550 1.00 0.00 C ATOM 459 CG LEU C 29 75.253 9.985 0.865 1.00 0.00 C ATOM 460 CD1 LEU C 29 73.988 10.838 0.974 1.00 0.00 C ATOM 461 CD2 LEU C 29 76.413 10.706 1.554 1.00 0.00 C ATOM 0 H LEU C 29 76.328 7.404 -0.158 1.00 0.00 H new ATOM 0 HA LEU C 29 73.850 6.872 1.137 1.00 0.00 H new ATOM 0 HB2 LEU C 29 74.373 8.769 2.419 1.00 0.00 H new ATOM 0 HB3 LEU C 29 75.963 8.234 1.913 1.00 0.00 H new ATOM 0 HG LEU C 29 75.495 9.825 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU C 29 74.154 11.799 0.487 1.00 0.00 H new ATOM 0 HD12 LEU C 29 73.159 10.323 0.488 1.00 0.00 H new ATOM 0 HD13 LEU C 29 73.748 11.000 2.025 1.00 0.00 H new ATOM 0 HD21 LEU C 29 76.584 11.667 1.069 1.00 0.00 H new ATOM 0 HD22 LEU C 29 76.169 10.868 2.604 1.00 0.00 H new ATOM 0 HD23 LEU C 29 77.314 10.098 1.481 1.00 0.00 H new ATOM 473 N GLY C 30 73.660 8.435 -1.607 1.00 0.00 N ATOM 474 CA GLY C 30 72.774 9.092 -2.563 1.00 0.00 C ATOM 475 C GLY C 30 72.711 8.293 -3.860 1.00 0.00 C ATOM 476 O GLY C 30 72.310 8.804 -4.906 1.00 0.00 O ATOM 0 H GLY C 30 74.510 8.045 -2.015 1.00 0.00 H new ATOM 0 HA2 GLY C 30 71.775 9.187 -2.138 1.00 0.00 H new ATOM 0 HA3 GLY C 30 73.131 10.101 -2.766 1.00 0.00 H new ATOM 480 N ALA C 31 73.118 7.030 -3.775 1.00 0.00 N ATOM 481 CA ALA C 31 73.112 6.152 -4.942 1.00 0.00 C ATOM 482 C ALA C 31 71.811 5.367 -5.015 1.00 0.00 C ATOM 483 O ALA C 31 70.930 5.508 -4.168 1.00 0.00 O ATOM 484 CB ALA C 31 74.285 5.171 -4.878 1.00 0.00 C ATOM 0 H ALA C 31 73.454 6.593 -2.917 1.00 0.00 H new ATOM 0 HA ALA C 31 73.207 6.775 -5.831 1.00 0.00 H new ATOM 0 HB1 ALA C 31 74.266 4.524 -5.755 1.00 0.00 H new ATOM 0 HB2 ALA C 31 75.223 5.726 -4.857 1.00 0.00 H new ATOM 0 HB3 ALA C 31 74.202 4.563 -3.977 1.00 0.00 H new ATOM 490 N GLU C 32 71.705 4.542 -6.048 1.00 0.00 N ATOM 491 CA GLU C 32 70.511 3.733 -6.250 1.00 0.00 C ATOM 492 C GLU C 32 70.466 2.577 -5.257 1.00 0.00 C ATOM 493 O GLU C 32 69.445 2.335 -4.612 1.00 0.00 O ATOM 494 CB GLU C 32 70.499 3.178 -7.671 1.00 0.00 C ATOM 495 CG GLU C 32 69.053 2.990 -8.135 1.00 0.00 C ATOM 496 CD GLU C 32 69.035 2.658 -9.623 1.00 0.00 C ATOM 497 OE1 GLU C 32 69.761 1.761 -10.019 1.00 0.00 O ATOM 498 OE2 GLU C 32 68.295 3.306 -10.345 1.00 0.00 O ATOM 0 H GLU C 32 72.428 4.416 -6.756 1.00 0.00 H new ATOM 0 HA GLU C 32 69.637 4.365 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU C 32 71.022 3.859 -8.343 1.00 0.00 H new ATOM 0 HB3 GLU C 32 71.029 2.226 -7.705 1.00 0.00 H new ATOM 0 HG2 GLU C 32 68.579 2.189 -7.567 1.00 0.00 H new ATOM 0 HG3 GLU C 32 68.479 3.897 -7.947 1.00 0.00 H new ATOM 505 N ASP C 33 71.583 1.863 -5.138 1.00 0.00 N ATOM 506 CA ASP C 33 71.653 0.733 -4.215 1.00 0.00 C ATOM 507 C ASP C 33 72.891 0.838 -3.329 1.00 0.00 C ATOM 508 O ASP C 33 72.800 1.199 -2.156 1.00 0.00 O ATOM 509 CB ASP C 33 71.698 -0.593 -4.981 1.00 0.00 C ATOM 510 CG ASP C 33 72.352 -0.381 -6.341 1.00 0.00 C ATOM 511 OD1 ASP C 33 73.552 -0.166 -6.371 1.00 0.00 O ATOM 512 OD2 ASP C 33 71.643 -0.436 -7.333 1.00 0.00 O ATOM 0 H ASP C 33 72.440 2.043 -5.661 1.00 0.00 H new ATOM 0 HA ASP C 33 70.758 0.759 -3.593 1.00 0.00 H new ATOM 0 HB2 ASP C 33 72.257 -1.335 -4.410 1.00 0.00 H new ATOM 0 HB3 ASP C 33 70.689 -0.984 -5.109 1.00 0.00 H new ATOM 517 N GLY C 34 74.050 0.515 -3.900 1.00 0.00 N ATOM 518 CA GLY C 34 75.296 0.577 -3.141 1.00 0.00 C ATOM 519 C GLY C 34 76.507 0.574 -4.069 1.00 0.00 C ATOM 520 O GLY C 34 77.464 -0.171 -3.860 1.00 0.00 O ATOM 0 H GLY C 34 74.152 0.213 -4.869 1.00 0.00 H new ATOM 0 HA2 GLY C 34 75.307 1.478 -2.527 1.00 0.00 H new ATOM 0 HA3 GLY C 34 75.353 -0.273 -2.461 1.00 0.00 H new ATOM 524 N CYS C 35 76.459 1.420 -5.094 1.00 0.00 N ATOM 525 CA CYS C 35 77.565 1.509 -6.044 1.00 0.00 C ATOM 526 C CYS C 35 78.387 2.767 -5.782 1.00 0.00 C ATOM 527 O CYS C 35 77.842 3.854 -5.588 1.00 0.00 O ATOM 528 CB CYS C 35 77.044 1.545 -7.481 1.00 0.00 C ATOM 529 SG CYS C 35 75.900 0.167 -7.745 1.00 0.00 S ATOM 0 H CYS C 35 75.678 2.046 -5.287 1.00 0.00 H new ATOM 0 HA CYS C 35 78.191 0.627 -5.912 1.00 0.00 H new ATOM 0 HB2 CYS C 35 76.539 2.492 -7.672 1.00 0.00 H new ATOM 0 HB3 CYS C 35 77.876 1.480 -8.182 1.00 0.00 H new ATOM 0 HG CYS C 35 74.949 0.216 -6.860 1.00 0.00 H new ATOM 535 N ILE C 36 79.707 2.605 -5.779 1.00 0.00 N ATOM 536 CA ILE C 36 80.603 3.734 -5.539 1.00 0.00 C ATOM 537 C ILE C 36 81.197 4.231 -6.852 1.00 0.00 C ATOM 538 O ILE C 36 81.517 3.446 -7.744 1.00 0.00 O ATOM 539 CB ILE C 36 81.745 3.327 -4.606 1.00 0.00 C ATOM 540 CG1 ILE C 36 81.177 2.605 -3.382 1.00 0.00 C ATOM 541 CG2 ILE C 36 82.501 4.577 -4.152 1.00 0.00 C ATOM 542 CD1 ILE C 36 82.328 2.075 -2.525 1.00 0.00 C ATOM 0 H ILE C 36 80.177 1.714 -5.938 1.00 0.00 H new ATOM 0 HA ILE C 36 80.019 4.529 -5.075 1.00 0.00 H new ATOM 0 HB ILE C 36 82.425 2.660 -5.137 1.00 0.00 H new ATOM 0 HG12 ILE C 36 80.559 3.287 -2.798 1.00 0.00 H new ATOM 0 HG13 ILE C 36 80.535 1.782 -3.697 1.00 0.00 H new ATOM 0 HG21 ILE C 36 83.315 4.288 -3.487 1.00 0.00 H new ATOM 0 HG22 ILE C 36 82.908 5.092 -5.022 1.00 0.00 H new ATOM 0 HG23 ILE C 36 81.819 5.243 -3.623 1.00 0.00 H new ATOM 0 HD11 ILE C 36 81.925 1.560 -1.653 1.00 0.00 H new ATOM 0 HD12 ILE C 36 82.928 1.379 -3.112 1.00 0.00 H new ATOM 0 HD13 ILE C 36 82.952 2.907 -2.199 1.00 0.00 H new ATOM 554 N SER C 37 81.346 5.548 -6.956 1.00 0.00 N ATOM 555 CA SER C 37 81.910 6.148 -8.161 1.00 0.00 C ATOM 556 C SER C 37 83.098 7.032 -7.799 1.00 0.00 C ATOM 557 O SER C 37 83.141 7.626 -6.722 1.00 0.00 O ATOM 558 CB SER C 37 80.860 6.994 -8.882 1.00 0.00 C ATOM 559 OG SER C 37 81.175 7.051 -10.267 1.00 0.00 O ATOM 0 H SER C 37 81.087 6.215 -6.229 1.00 0.00 H new ATOM 0 HA SER C 37 82.237 5.344 -8.820 1.00 0.00 H new ATOM 0 HB2 SER C 37 79.869 6.563 -8.740 1.00 0.00 H new ATOM 0 HB3 SER C 37 80.834 7.999 -8.461 1.00 0.00 H new ATOM 0 HG SER C 37 80.503 7.591 -10.733 1.00 0.00 H new ATOM 565 N THR C 38 84.064 7.111 -8.710 1.00 0.00 N ATOM 566 CA THR C 38 85.252 7.930 -8.472 1.00 0.00 C ATOM 567 C THR C 38 84.861 9.222 -7.764 1.00 0.00 C ATOM 568 O THR C 38 85.632 9.780 -6.983 1.00 0.00 O ATOM 569 CB THR C 38 85.949 8.278 -9.790 1.00 0.00 C ATOM 570 OG1 THR C 38 85.278 9.369 -10.404 1.00 0.00 O ATOM 571 CG2 THR C 38 85.923 7.070 -10.727 1.00 0.00 C ATOM 0 H THR C 38 84.051 6.626 -9.607 1.00 0.00 H new ATOM 0 HA THR C 38 85.937 7.355 -7.848 1.00 0.00 H new ATOM 0 HB THR C 38 86.985 8.551 -9.588 1.00 0.00 H new ATOM 0 HG1 THR C 38 85.724 9.595 -11.247 1.00 0.00 H new ATOM 0 HG21 THR C 38 86.421 7.325 -11.663 1.00 0.00 H new ATOM 0 HG22 THR C 38 86.440 6.234 -10.257 1.00 0.00 H new ATOM 0 HG23 THR C 38 84.890 6.789 -10.930 1.00 0.00 H new ATOM 579 N LYS C 39 83.650 9.689 -8.049 1.00 0.00 N ATOM 580 CA LYS C 39 83.152 10.919 -7.438 1.00 0.00 C ATOM 581 C LYS C 39 82.492 10.623 -6.094 1.00 0.00 C ATOM 582 O LYS C 39 82.963 11.059 -5.044 1.00 0.00 O ATOM 583 CB LYS C 39 82.129 11.594 -8.354 1.00 0.00 C ATOM 584 CG LYS C 39 82.856 12.315 -9.490 1.00 0.00 C ATOM 585 CD LYS C 39 82.608 13.820 -9.377 1.00 0.00 C ATOM 586 CE LYS C 39 82.266 14.385 -10.757 1.00 0.00 C ATOM 587 NZ LYS C 39 83.497 14.947 -11.380 1.00 0.00 N ATOM 0 H LYS C 39 82.999 9.240 -8.693 1.00 0.00 H new ATOM 0 HA LYS C 39 84.002 11.584 -7.286 1.00 0.00 H new ATOM 0 HB2 LYS C 39 81.444 10.851 -8.761 1.00 0.00 H new ATOM 0 HB3 LYS C 39 81.528 12.303 -7.785 1.00 0.00 H new ATOM 0 HG2 LYS C 39 83.925 12.107 -9.443 1.00 0.00 H new ATOM 0 HG3 LYS C 39 82.502 11.948 -10.454 1.00 0.00 H new ATOM 0 HD2 LYS C 39 81.792 14.014 -8.680 1.00 0.00 H new ATOM 0 HD3 LYS C 39 83.493 14.316 -8.978 1.00 0.00 H new ATOM 0 HE2 LYS C 39 81.850 13.601 -11.390 1.00 0.00 H new ATOM 0 HE3 LYS C 39 81.505 15.160 -10.667 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 83.267 15.332 -12.318 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 83.875 15.706 -10.778 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 84.210 14.196 -11.479 1.00 0.00 H new ATOM 601 N GLU C 40 81.390 9.878 -6.141 1.00 0.00 N ATOM 602 CA GLU C 40 80.664 9.527 -4.923 1.00 0.00 C ATOM 603 C GLU C 40 81.635 9.165 -3.804 1.00 0.00 C ATOM 604 O GLU C 40 81.370 9.411 -2.627 1.00 0.00 O ATOM 605 CB GLU C 40 79.733 8.340 -5.178 1.00 0.00 C ATOM 606 CG GLU C 40 78.281 8.777 -4.976 1.00 0.00 C ATOM 607 CD GLU C 40 77.897 9.782 -6.057 1.00 0.00 C ATOM 608 OE1 GLU C 40 78.698 9.994 -6.952 1.00 0.00 O ATOM 609 OE2 GLU C 40 76.808 10.326 -5.973 1.00 0.00 O ATOM 0 H GLU C 40 80.983 9.509 -7.000 1.00 0.00 H new ATOM 0 HA GLU C 40 80.075 10.394 -4.624 1.00 0.00 H new ATOM 0 HB2 GLU C 40 79.873 7.966 -6.192 1.00 0.00 H new ATOM 0 HB3 GLU C 40 79.975 7.522 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU C 40 77.620 7.911 -5.018 1.00 0.00 H new ATOM 0 HG3 GLU C 40 78.158 9.224 -3.989 1.00 0.00 H new ATOM 616 N LEU C 41 82.765 8.576 -4.184 1.00 0.00 N ATOM 617 CA LEU C 41 83.773 8.179 -3.204 1.00 0.00 C ATOM 618 C LEU C 41 84.417 9.407 -2.568 1.00 0.00 C ATOM 619 O LEU C 41 84.338 9.612 -1.357 1.00 0.00 O ATOM 620 CB LEU C 41 84.863 7.335 -3.868 1.00 0.00 C ATOM 621 CG LEU C 41 85.955 7.014 -2.846 1.00 0.00 C ATOM 622 CD1 LEU C 41 85.410 6.032 -1.807 1.00 0.00 C ATOM 623 CD2 LEU C 41 87.153 6.384 -3.560 1.00 0.00 C ATOM 0 H LEU C 41 83.005 8.364 -5.152 1.00 0.00 H new ATOM 0 HA LEU C 41 83.275 7.591 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU C 41 84.435 6.412 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU C 41 85.289 7.873 -4.714 1.00 0.00 H new ATOM 0 HG LEU C 41 86.268 7.933 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU C 41 86.188 5.803 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU C 41 84.556 6.478 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU C 41 85.097 5.114 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU C 41 87.931 6.155 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU C 41 86.839 5.466 -4.056 1.00 0.00 H new ATOM 0 HD23 LEU C 41 87.543 7.082 -4.301 1.00 0.00 H new ATOM 635 N GLY C 42 85.060 10.219 -3.402 1.00 0.00 N ATOM 636 CA GLY C 42 85.724 11.427 -2.917 1.00 0.00 C ATOM 637 C GLY C 42 84.824 12.206 -1.962 1.00 0.00 C ATOM 638 O GLY C 42 85.302 12.915 -1.077 1.00 0.00 O ATOM 0 H GLY C 42 85.136 10.066 -4.408 1.00 0.00 H new ATOM 0 HA2 GLY C 42 86.650 11.157 -2.409 1.00 0.00 H new ATOM 0 HA3 GLY C 42 85.996 12.060 -3.762 1.00 0.00 H new ATOM 642 N LYS C 43 83.515 12.070 -2.154 1.00 0.00 N ATOM 643 CA LYS C 43 82.554 12.772 -1.304 1.00 0.00 C ATOM 644 C LYS C 43 82.596 12.229 0.121 1.00 0.00 C ATOM 645 O LYS C 43 82.279 12.934 1.079 1.00 0.00 O ATOM 646 CB LYS C 43 81.134 12.607 -1.849 1.00 0.00 C ATOM 647 CG LYS C 43 81.068 13.132 -3.284 1.00 0.00 C ATOM 648 CD LYS C 43 79.604 13.273 -3.707 1.00 0.00 C ATOM 649 CE LYS C 43 79.525 14.010 -5.045 1.00 0.00 C ATOM 650 NZ LYS C 43 79.460 15.479 -4.801 1.00 0.00 N ATOM 0 H LYS C 43 83.098 11.488 -2.881 1.00 0.00 H new ATOM 0 HA LYS C 43 82.826 13.827 -1.300 1.00 0.00 H new ATOM 0 HB2 LYS C 43 80.844 11.557 -1.822 1.00 0.00 H new ATOM 0 HB3 LYS C 43 80.428 13.149 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS C 43 81.573 14.096 -3.354 1.00 0.00 H new ATOM 0 HG3 LYS C 43 81.588 12.450 -3.957 1.00 0.00 H new ATOM 0 HD2 LYS C 43 79.144 12.289 -3.795 1.00 0.00 H new ATOM 0 HD3 LYS C 43 79.046 13.819 -2.946 1.00 0.00 H new ATOM 0 HE2 LYS C 43 80.395 13.770 -5.656 1.00 0.00 H new ATOM 0 HE3 LYS C 43 78.646 13.684 -5.601 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 79.406 15.980 -5.711 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 78.617 15.700 -4.234 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 80.312 15.784 -4.288 1.00 0.00 H new ATOM 664 N VAL C 44 82.984 10.963 0.249 1.00 0.00 N ATOM 665 CA VAL C 44 83.054 10.328 1.563 1.00 0.00 C ATOM 666 C VAL C 44 84.410 10.581 2.217 1.00 0.00 C ATOM 667 O VAL C 44 84.489 10.988 3.376 1.00 0.00 O ATOM 668 CB VAL C 44 82.835 8.819 1.438 1.00 0.00 C ATOM 669 CG1 VAL C 44 83.134 8.144 2.779 1.00 0.00 C ATOM 670 CG2 VAL C 44 81.381 8.547 1.046 1.00 0.00 C ATOM 0 H VAL C 44 83.252 10.362 -0.530 1.00 0.00 H new ATOM 0 HA VAL C 44 82.270 10.762 2.184 1.00 0.00 H new ATOM 0 HB VAL C 44 83.501 8.419 0.674 1.00 0.00 H new ATOM 0 HG11 VAL C 44 82.977 7.069 2.688 1.00 0.00 H new ATOM 0 HG12 VAL C 44 84.169 8.337 3.061 1.00 0.00 H new ATOM 0 HG13 VAL C 44 82.469 8.544 3.544 1.00 0.00 H new ATOM 0 HG21 VAL C 44 81.223 7.472 0.956 1.00 0.00 H new ATOM 0 HG22 VAL C 44 80.717 8.949 1.811 1.00 0.00 H new ATOM 0 HG23 VAL C 44 81.166 9.026 0.091 1.00 0.00 H new ATOM 680 N MET C 45 85.476 10.328 1.464 1.00 0.00 N ATOM 681 CA MET C 45 86.826 10.525 1.986 1.00 0.00 C ATOM 682 C MET C 45 86.975 11.921 2.586 1.00 0.00 C ATOM 683 O MET C 45 87.637 12.104 3.607 1.00 0.00 O ATOM 684 CB MET C 45 87.865 10.344 0.877 1.00 0.00 C ATOM 685 CG MET C 45 87.534 9.096 0.050 1.00 0.00 C ATOM 686 SD MET C 45 87.153 7.701 1.145 1.00 0.00 S ATOM 687 CE MET C 45 88.646 7.767 2.170 1.00 0.00 C ATOM 0 H MET C 45 85.434 9.990 0.502 1.00 0.00 H new ATOM 0 HA MET C 45 86.993 9.779 2.763 1.00 0.00 H new ATOM 0 HB2 MET C 45 87.880 11.224 0.234 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.860 10.250 1.311 1.00 0.00 H new ATOM 0 HG2 MET C 45 86.685 9.298 -0.602 1.00 0.00 H new ATOM 0 HG3 MET C 45 88.377 8.843 -0.593 1.00 0.00 H new ATOM 0 HE1 MET C 45 88.695 6.878 2.799 1.00 0.00 H new ATOM 0 HE2 MET C 45 89.526 7.807 1.528 1.00 0.00 H new ATOM 0 HE3 MET C 45 88.616 8.656 2.800 1.00 0.00 H new ATOM 697 N ARG C 46 86.352 12.903 1.941 1.00 0.00 N ATOM 698 CA ARG C 46 86.424 14.281 2.423 1.00 0.00 C ATOM 699 C ARG C 46 85.856 14.383 3.835 1.00 0.00 C ATOM 700 O ARG C 46 86.220 15.273 4.604 1.00 0.00 O ATOM 701 CB ARG C 46 85.636 15.214 1.502 1.00 0.00 C ATOM 702 CG ARG C 46 84.204 14.696 1.354 1.00 0.00 C ATOM 703 CD ARG C 46 83.218 15.847 1.567 1.00 0.00 C ATOM 704 NE ARG C 46 83.178 16.238 2.974 1.00 0.00 N ATOM 705 CZ ARG C 46 82.290 17.126 3.413 1.00 0.00 C ATOM 706 NH1 ARG C 46 81.440 17.663 2.582 1.00 0.00 N ATOM 707 NH2 ARG C 46 82.268 17.460 4.675 1.00 0.00 N ATOM 0 H ARG C 46 85.798 12.775 1.094 1.00 0.00 H new ATOM 0 HA ARG C 46 87.473 14.579 2.430 1.00 0.00 H new ATOM 0 HB2 ARG C 46 85.628 16.224 1.911 1.00 0.00 H new ATOM 0 HB3 ARG C 46 86.117 15.269 0.525 1.00 0.00 H new ATOM 0 HG2 ARG C 46 84.064 14.262 0.364 1.00 0.00 H new ATOM 0 HG3 ARG C 46 84.016 13.904 2.079 1.00 0.00 H new ATOM 0 HD2 ARG C 46 83.510 16.701 0.955 1.00 0.00 H new ATOM 0 HD3 ARG C 46 82.223 15.546 1.240 1.00 0.00 H new ATOM 0 HE ARG C 46 83.841 15.824 3.630 1.00 0.00 H new ATOM 0 HH11 ARG C 46 81.456 17.402 1.596 1.00 0.00 H new ATOM 0 HH12 ARG C 46 80.759 18.344 2.918 1.00 0.00 H new ATOM 0 HH21 ARG C 46 82.932 17.040 5.325 1.00 0.00 H new ATOM 0 HH22 ARG C 46 81.587 18.141 5.011 1.00 0.00 H new ATOM 721 N MET C 47 84.957 13.460 4.167 1.00 0.00 N ATOM 722 CA MET C 47 84.340 13.453 5.490 1.00 0.00 C ATOM 723 C MET C 47 85.242 12.751 6.503 1.00 0.00 C ATOM 724 O MET C 47 84.948 12.721 7.698 1.00 0.00 O ATOM 725 CB MET C 47 82.989 12.738 5.443 1.00 0.00 C ATOM 726 CG MET C 47 82.252 13.126 4.160 1.00 0.00 C ATOM 727 SD MET C 47 80.468 12.950 4.411 1.00 0.00 S ATOM 728 CE MET C 47 80.497 11.267 5.075 1.00 0.00 C ATOM 0 H MET C 47 84.642 12.715 3.546 1.00 0.00 H new ATOM 0 HA MET C 47 84.194 14.489 5.797 1.00 0.00 H new ATOM 0 HB2 MET C 47 83.135 11.658 5.479 1.00 0.00 H new ATOM 0 HB3 MET C 47 82.392 13.008 6.314 1.00 0.00 H new ATOM 0 HG2 MET C 47 82.492 14.154 3.887 1.00 0.00 H new ATOM 0 HG3 MET C 47 82.578 12.493 3.335 1.00 0.00 H new ATOM 0 HE1 MET C 47 79.504 10.825 4.989 1.00 0.00 H new ATOM 0 HE2 MET C 47 81.211 10.666 4.512 1.00 0.00 H new ATOM 0 HE3 MET C 47 80.793 11.295 6.124 1.00 0.00 H new ATOM 738 N LEU C 48 86.344 12.187 6.014 1.00 0.00 N ATOM 739 CA LEU C 48 87.280 11.488 6.890 1.00 0.00 C ATOM 740 C LEU C 48 88.432 12.409 7.280 1.00 0.00 C ATOM 741 O LEU C 48 88.404 13.053 8.329 1.00 0.00 O ATOM 742 CB LEU C 48 87.844 10.248 6.193 1.00 0.00 C ATOM 743 CG LEU C 48 86.852 9.092 6.329 1.00 0.00 C ATOM 744 CD1 LEU C 48 85.458 9.561 5.910 1.00 0.00 C ATOM 745 CD2 LEU C 48 87.292 7.937 5.427 1.00 0.00 C ATOM 0 H LEU C 48 86.608 12.200 5.029 1.00 0.00 H new ATOM 0 HA LEU C 48 86.739 11.183 7.786 1.00 0.00 H new ATOM 0 HB2 LEU C 48 88.028 10.462 5.140 1.00 0.00 H new ATOM 0 HB3 LEU C 48 88.802 9.973 6.635 1.00 0.00 H new ATOM 0 HG LEU C 48 86.825 8.757 7.366 1.00 0.00 H new ATOM 0 HD11 LEU C 48 84.752 8.736 6.007 1.00 0.00 H new ATOM 0 HD12 LEU C 48 85.144 10.385 6.550 1.00 0.00 H new ATOM 0 HD13 LEU C 48 85.483 9.896 4.873 1.00 0.00 H new ATOM 0 HD21 LEU C 48 86.586 7.112 5.522 1.00 0.00 H new ATOM 0 HD22 LEU C 48 87.318 8.274 4.391 1.00 0.00 H new ATOM 0 HD23 LEU C 48 88.285 7.601 5.724 1.00 0.00 H new ATOM 757 N GLY C 49 89.448 12.465 6.423 1.00 0.00 N ATOM 758 CA GLY C 49 90.607 13.312 6.687 1.00 0.00 C ATOM 759 C GLY C 49 91.416 13.539 5.414 1.00 0.00 C ATOM 760 O GLY C 49 92.636 13.695 5.457 1.00 0.00 O ATOM 0 H GLY C 49 89.493 11.940 5.549 1.00 0.00 H new ATOM 0 HA2 GLY C 49 90.278 14.270 7.089 1.00 0.00 H new ATOM 0 HA3 GLY C 49 91.237 12.847 7.445 1.00 0.00 H new ATOM 764 N GLN C 50 90.721 13.556 4.279 1.00 0.00 N ATOM 765 CA GLN C 50 91.385 13.766 2.995 1.00 0.00 C ATOM 766 C GLN C 50 90.359 14.084 1.910 1.00 0.00 C ATOM 767 O GLN C 50 89.333 13.415 1.790 1.00 0.00 O ATOM 768 CB GLN C 50 92.172 12.519 2.589 1.00 0.00 C ATOM 769 CG GLN C 50 93.628 12.668 3.036 1.00 0.00 C ATOM 770 CD GLN C 50 94.507 11.701 2.250 1.00 0.00 C ATOM 771 OE1 GLN C 50 94.823 10.612 2.729 1.00 0.00 O ATOM 772 NE2 GLN C 50 94.925 12.037 1.060 1.00 0.00 N ATOM 0 H GLN C 50 89.711 13.429 4.221 1.00 0.00 H new ATOM 0 HA GLN C 50 92.070 14.607 3.104 1.00 0.00 H new ATOM 0 HB2 GLN C 50 91.730 11.633 3.043 1.00 0.00 H new ATOM 0 HB3 GLN C 50 92.124 12.381 1.509 1.00 0.00 H new ATOM 0 HG2 GLN C 50 93.965 13.692 2.877 1.00 0.00 H new ATOM 0 HG3 GLN C 50 93.713 12.467 4.104 1.00 0.00 H new ATOM 0 HE21 GLN C 50 94.663 12.939 0.663 1.00 0.00 H new ATOM 0 HE22 GLN C 50 95.514 11.397 0.527 1.00 0.00 H new ATOM 781 N ASN C 51 90.649 15.118 1.123 1.00 0.00 N ATOM 782 CA ASN C 51 89.744 15.523 0.050 1.00 0.00 C ATOM 783 C ASN C 51 90.395 15.306 -1.313 1.00 0.00 C ATOM 784 O ASN C 51 91.037 16.202 -1.861 1.00 0.00 O ATOM 785 CB ASN C 51 89.375 17.001 0.194 1.00 0.00 C ATOM 786 CG ASN C 51 88.520 17.430 -0.994 1.00 0.00 C ATOM 787 OD1 ASN C 51 87.304 17.580 -0.870 1.00 0.00 O ATOM 788 ND2 ASN C 51 89.088 17.639 -2.150 1.00 0.00 N ATOM 0 H ASN C 51 91.493 15.685 1.206 1.00 0.00 H new ATOM 0 HA ASN C 51 88.844 14.912 0.122 1.00 0.00 H new ATOM 0 HB2 ASN C 51 88.830 17.162 1.124 1.00 0.00 H new ATOM 0 HB3 ASN C 51 90.278 17.609 0.244 1.00 0.00 H new ATOM 0 HD21 ASN C 51 88.525 17.926 -2.950 1.00 0.00 H new ATOM 0 HD22 ASN C 51 90.095 17.515 -2.253 1.00 0.00 H new ATOM 795 N PRO C 52 90.229 14.108 -1.868 1.00 0.00 N ATOM 796 CA PRO C 52 90.798 13.755 -3.181 1.00 0.00 C ATOM 797 C PRO C 52 89.938 14.241 -4.347 1.00 0.00 C ATOM 798 O PRO C 52 89.016 15.037 -4.170 1.00 0.00 O ATOM 799 CB PRO C 52 90.816 12.233 -3.120 1.00 0.00 C ATOM 800 CG PRO C 52 89.756 11.814 -2.105 1.00 0.00 C ATOM 801 CD PRO C 52 89.463 13.029 -1.219 1.00 0.00 C ATOM 0 HA PRO C 52 91.771 14.214 -3.355 1.00 0.00 H new ATOM 0 HB2 PRO C 52 90.602 11.805 -4.100 1.00 0.00 H new ATOM 0 HB3 PRO C 52 91.800 11.871 -2.822 1.00 0.00 H new ATOM 0 HG2 PRO C 52 88.850 11.481 -2.612 1.00 0.00 H new ATOM 0 HG3 PRO C 52 90.111 10.977 -1.503 1.00 0.00 H new ATOM 0 HD2 PRO C 52 88.397 13.255 -1.185 1.00 0.00 H new ATOM 0 HD3 PRO C 52 89.787 12.866 -0.191 1.00 0.00 H new ATOM 809 N THR C 53 90.253 13.748 -5.543 1.00 0.00 N ATOM 810 CA THR C 53 89.506 14.134 -6.739 1.00 0.00 C ATOM 811 C THR C 53 89.082 12.889 -7.516 1.00 0.00 C ATOM 812 O THR C 53 89.354 11.763 -7.101 1.00 0.00 O ATOM 813 CB THR C 53 90.359 15.031 -7.645 1.00 0.00 C ATOM 814 OG1 THR C 53 90.998 14.235 -8.632 1.00 0.00 O ATOM 815 CG2 THR C 53 91.416 15.758 -6.810 1.00 0.00 C ATOM 0 H THR C 53 91.012 13.087 -5.710 1.00 0.00 H new ATOM 0 HA THR C 53 88.622 14.688 -6.424 1.00 0.00 H new ATOM 0 HB THR C 53 89.717 15.767 -8.129 1.00 0.00 H new ATOM 0 HG1 THR C 53 91.542 14.808 -9.212 1.00 0.00 H new ATOM 0 HG21 THR C 53 92.019 16.393 -7.459 1.00 0.00 H new ATOM 0 HG22 THR C 53 90.924 16.372 -6.056 1.00 0.00 H new ATOM 0 HG23 THR C 53 92.059 15.027 -6.320 1.00 0.00 H new ATOM 823 N PRO C 54 88.406 13.081 -8.648 1.00 0.00 N ATOM 824 CA PRO C 54 87.934 11.965 -9.485 1.00 0.00 C ATOM 825 C PRO C 54 89.024 11.413 -10.401 1.00 0.00 C ATOM 826 O PRO C 54 88.812 10.444 -11.129 1.00 0.00 O ATOM 827 CB PRO C 54 86.817 12.618 -10.290 1.00 0.00 C ATOM 828 CG PRO C 54 87.100 14.116 -10.314 1.00 0.00 C ATOM 829 CD PRO C 54 88.071 14.420 -9.167 1.00 0.00 C ATOM 0 HA PRO C 54 87.619 11.102 -8.899 1.00 0.00 H new ATOM 0 HB2 PRO C 54 86.786 12.215 -11.302 1.00 0.00 H new ATOM 0 HB3 PRO C 54 85.847 12.416 -9.837 1.00 0.00 H new ATOM 0 HG2 PRO C 54 87.533 14.409 -11.271 1.00 0.00 H new ATOM 0 HG3 PRO C 54 86.176 14.683 -10.195 1.00 0.00 H new ATOM 0 HD2 PRO C 54 88.957 14.949 -9.518 1.00 0.00 H new ATOM 0 HD3 PRO C 54 87.609 15.045 -8.403 1.00 0.00 H new ATOM 837 N GLU C 55 90.195 12.043 -10.354 1.00 0.00 N ATOM 838 CA GLU C 55 91.316 11.608 -11.183 1.00 0.00 C ATOM 839 C GLU C 55 92.076 10.476 -10.501 1.00 0.00 C ATOM 840 O GLU C 55 92.406 9.466 -11.124 1.00 0.00 O ATOM 841 CB GLU C 55 92.279 12.770 -11.438 1.00 0.00 C ATOM 842 CG GLU C 55 91.493 13.990 -11.923 1.00 0.00 C ATOM 843 CD GLU C 55 91.425 13.978 -13.445 1.00 0.00 C ATOM 844 OE1 GLU C 55 90.651 13.199 -13.978 1.00 0.00 O ATOM 845 OE2 GLU C 55 92.148 14.746 -14.057 1.00 0.00 O ATOM 0 H GLU C 55 90.392 12.847 -9.758 1.00 0.00 H new ATOM 0 HA GLU C 55 90.913 11.256 -12.133 1.00 0.00 H new ATOM 0 HB2 GLU C 55 92.821 13.014 -10.524 1.00 0.00 H new ATOM 0 HB3 GLU C 55 93.022 12.484 -12.183 1.00 0.00 H new ATOM 0 HG2 GLU C 55 90.487 13.978 -11.503 1.00 0.00 H new ATOM 0 HG3 GLU C 55 91.972 14.906 -11.577 1.00 0.00 H new ATOM 852 N GLU C 56 92.353 10.656 -9.212 1.00 0.00 N ATOM 853 CA GLU C 56 93.077 9.642 -8.450 1.00 0.00 C ATOM 854 C GLU C 56 92.129 8.541 -7.985 1.00 0.00 C ATOM 855 O GLU C 56 92.452 7.355 -8.054 1.00 0.00 O ATOM 856 CB GLU C 56 93.750 10.271 -7.228 1.00 0.00 C ATOM 857 CG GLU C 56 95.170 10.705 -7.595 1.00 0.00 C ATOM 858 CD GLU C 56 95.796 11.448 -6.420 1.00 0.00 C ATOM 859 OE1 GLU C 56 95.463 11.119 -5.293 1.00 0.00 O ATOM 860 OE2 GLU C 56 96.598 12.334 -6.663 1.00 0.00 O ATOM 0 H GLU C 56 92.091 11.485 -8.678 1.00 0.00 H new ATOM 0 HA GLU C 56 93.837 9.212 -9.102 1.00 0.00 H new ATOM 0 HB2 GLU C 56 93.173 11.130 -6.884 1.00 0.00 H new ATOM 0 HB3 GLU C 56 93.778 9.555 -6.406 1.00 0.00 H new ATOM 0 HG2 GLU C 56 95.773 9.834 -7.851 1.00 0.00 H new ATOM 0 HG3 GLU C 56 95.149 11.347 -8.475 1.00 0.00 H new ATOM 867 N LEU C 57 90.953 8.947 -7.512 1.00 0.00 N ATOM 868 CA LEU C 57 89.963 7.983 -7.039 1.00 0.00 C ATOM 869 C LEU C 57 89.641 6.977 -8.139 1.00 0.00 C ATOM 870 O LEU C 57 89.546 5.774 -7.893 1.00 0.00 O ATOM 871 CB LEU C 57 88.677 8.695 -6.617 1.00 0.00 C ATOM 872 CG LEU C 57 88.940 9.522 -5.357 1.00 0.00 C ATOM 873 CD1 LEU C 57 87.755 10.455 -5.101 1.00 0.00 C ATOM 874 CD2 LEU C 57 89.117 8.586 -4.159 1.00 0.00 C ATOM 0 H LEU C 57 90.665 9.923 -7.446 1.00 0.00 H new ATOM 0 HA LEU C 57 90.382 7.462 -6.178 1.00 0.00 H new ATOM 0 HB2 LEU C 57 88.326 9.341 -7.422 1.00 0.00 H new ATOM 0 HB3 LEU C 57 87.890 7.965 -6.428 1.00 0.00 H new ATOM 0 HG LEU C 57 89.846 10.113 -5.495 1.00 0.00 H new ATOM 0 HD11 LEU C 57 87.943 11.044 -4.203 1.00 0.00 H new ATOM 0 HD12 LEU C 57 87.627 11.123 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU C 57 86.849 9.864 -4.964 1.00 0.00 H new ATOM 0 HD21 LEU C 57 89.304 9.175 -3.261 1.00 0.00 H new ATOM 0 HD22 LEU C 57 88.212 7.995 -4.022 1.00 0.00 H new ATOM 0 HD23 LEU C 57 89.961 7.920 -4.339 1.00 0.00 H new ATOM 886 N GLN C 58 89.480 7.484 -9.357 1.00 0.00 N ATOM 887 CA GLN C 58 89.176 6.624 -10.497 1.00 0.00 C ATOM 888 C GLN C 58 90.033 5.364 -10.444 1.00 0.00 C ATOM 889 O GLN C 58 89.537 4.250 -10.608 1.00 0.00 O ATOM 890 CB GLN C 58 89.449 7.363 -11.811 1.00 0.00 C ATOM 891 CG GLN C 58 89.234 6.416 -12.995 1.00 0.00 C ATOM 892 CD GLN C 58 87.766 6.435 -13.403 1.00 0.00 C ATOM 893 OE1 GLN C 58 87.224 7.485 -13.747 1.00 0.00 O ATOM 894 NE2 GLN C 58 87.082 5.324 -13.382 1.00 0.00 N ATOM 0 H GLN C 58 89.554 8.477 -9.580 1.00 0.00 H new ATOM 0 HA GLN C 58 88.122 6.352 -10.450 1.00 0.00 H new ATOM 0 HB2 GLN C 58 88.787 8.225 -11.898 1.00 0.00 H new ATOM 0 HB3 GLN C 58 90.470 7.744 -11.819 1.00 0.00 H new ATOM 0 HG2 GLN C 58 89.859 6.719 -13.835 1.00 0.00 H new ATOM 0 HG3 GLN C 58 89.534 5.404 -12.723 1.00 0.00 H new ATOM 0 HE21 GLN C 58 87.531 4.454 -13.097 1.00 0.00 H new ATOM 0 HE22 GLN C 58 86.098 5.326 -13.651 1.00 0.00 H new ATOM 903 N GLU C 59 91.328 5.555 -10.210 1.00 0.00 N ATOM 904 CA GLU C 59 92.251 4.426 -10.133 1.00 0.00 C ATOM 905 C GLU C 59 91.809 3.456 -9.043 1.00 0.00 C ATOM 906 O GLU C 59 91.790 2.242 -9.244 1.00 0.00 O ATOM 907 CB GLU C 59 93.669 4.912 -9.828 1.00 0.00 C ATOM 908 CG GLU C 59 94.587 3.708 -9.608 1.00 0.00 C ATOM 909 CD GLU C 59 95.611 3.636 -10.736 1.00 0.00 C ATOM 910 OE1 GLU C 59 95.228 3.861 -11.872 1.00 0.00 O ATOM 911 OE2 GLU C 59 96.763 3.358 -10.446 1.00 0.00 O ATOM 0 H GLU C 59 91.759 6.469 -10.072 1.00 0.00 H new ATOM 0 HA GLU C 59 92.245 3.917 -11.097 1.00 0.00 H new ATOM 0 HB2 GLU C 59 94.041 5.520 -10.652 1.00 0.00 H new ATOM 0 HB3 GLU C 59 93.664 5.546 -8.941 1.00 0.00 H new ATOM 0 HG2 GLU C 59 95.094 3.795 -8.647 1.00 0.00 H new ATOM 0 HG3 GLU C 59 94.000 2.790 -9.577 1.00 0.00 H new ATOM 918 N MET C 60 91.450 4.006 -7.886 1.00 0.00 N ATOM 919 CA MET C 60 91.004 3.179 -6.770 1.00 0.00 C ATOM 920 C MET C 60 89.859 2.276 -7.211 1.00 0.00 C ATOM 921 O MET C 60 89.626 1.214 -6.633 1.00 0.00 O ATOM 922 CB MET C 60 90.531 4.053 -5.607 1.00 0.00 C ATOM 923 CG MET C 60 91.741 4.543 -4.811 1.00 0.00 C ATOM 924 SD MET C 60 91.408 6.203 -4.172 1.00 0.00 S ATOM 925 CE MET C 60 90.769 5.702 -2.554 1.00 0.00 C ATOM 0 H MET C 60 91.459 5.009 -7.698 1.00 0.00 H new ATOM 0 HA MET C 60 91.847 2.570 -6.442 1.00 0.00 H new ATOM 0 HB2 MET C 60 89.963 4.903 -5.985 1.00 0.00 H new ATOM 0 HB3 MET C 60 89.863 3.485 -4.960 1.00 0.00 H new ATOM 0 HG2 MET C 60 91.950 3.860 -3.988 1.00 0.00 H new ATOM 0 HG3 MET C 60 92.627 4.557 -5.446 1.00 0.00 H new ATOM 0 HE1 MET C 60 90.398 6.578 -2.022 1.00 0.00 H new ATOM 0 HE2 MET C 60 89.957 4.988 -2.689 1.00 0.00 H new ATOM 0 HE3 MET C 60 91.568 5.238 -1.975 1.00 0.00 H new ATOM 935 N ILE C 61 89.147 2.711 -8.248 1.00 0.00 N ATOM 936 CA ILE C 61 88.026 1.935 -8.768 1.00 0.00 C ATOM 937 C ILE C 61 88.536 0.803 -9.652 1.00 0.00 C ATOM 938 O ILE C 61 88.039 -0.322 -9.594 1.00 0.00 O ATOM 939 CB ILE C 61 87.084 2.826 -9.583 1.00 0.00 C ATOM 940 CG1 ILE C 61 86.816 4.131 -8.825 1.00 0.00 C ATOM 941 CG2 ILE C 61 85.761 2.093 -9.815 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.590 3.838 -7.340 1.00 0.00 C ATOM 0 H ILE C 61 89.324 3.587 -8.740 1.00 0.00 H new ATOM 0 HA ILE C 61 87.480 1.520 -7.921 1.00 0.00 H new ATOM 0 HB ILE C 61 87.549 3.055 -10.542 1.00 0.00 H new ATOM 0 HG12 ILE C 61 87.659 4.811 -8.946 1.00 0.00 H new ATOM 0 HG13 ILE C 61 85.942 4.631 -9.243 1.00 0.00 H new ATOM 0 HG21 ILE C 61 85.091 2.727 -10.395 1.00 0.00 H new ATOM 0 HG22 ILE C 61 85.948 1.168 -10.361 1.00 0.00 H new ATOM 0 HG23 ILE C 61 85.300 1.861 -8.855 1.00 0.00 H new ATOM 0 HD11 ILE C 61 86.400 4.771 -6.810 1.00 0.00 H new ATOM 0 HD12 ILE C 61 85.732 3.175 -7.226 1.00 0.00 H new ATOM 0 HD13 ILE C 61 87.476 3.358 -6.925 1.00 0.00 H new ATOM 954 N ASP C 62 89.538 1.112 -10.470 1.00 0.00 N ATOM 955 CA ASP C 62 90.115 0.111 -11.362 1.00 0.00 C ATOM 956 C ASP C 62 90.576 -1.104 -10.564 1.00 0.00 C ATOM 957 O ASP C 62 90.749 -2.194 -11.108 1.00 0.00 O ATOM 958 CB ASP C 62 91.310 0.691 -12.120 1.00 0.00 C ATOM 959 CG ASP C 62 90.849 1.218 -13.475 1.00 0.00 C ATOM 960 OD1 ASP C 62 89.830 0.748 -13.955 1.00 0.00 O ATOM 961 OD2 ASP C 62 91.521 2.082 -14.013 1.00 0.00 O ATOM 0 H ASP C 62 89.964 2.037 -10.534 1.00 0.00 H new ATOM 0 HA ASP C 62 89.347 -0.188 -12.075 1.00 0.00 H new ATOM 0 HB2 ASP C 62 91.765 1.495 -11.541 1.00 0.00 H new ATOM 0 HB3 ASP C 62 92.073 -0.075 -12.257 1.00 0.00 H new ATOM 966 N GLU C 63 90.769 -0.902 -9.264 1.00 0.00 N ATOM 967 CA GLU C 63 91.207 -1.989 -8.392 1.00 0.00 C ATOM 968 C GLU C 63 90.031 -2.894 -8.040 1.00 0.00 C ATOM 969 O GLU C 63 90.208 -3.981 -7.490 1.00 0.00 O ATOM 970 CB GLU C 63 91.808 -1.438 -7.097 1.00 0.00 C ATOM 971 CG GLU C 63 92.640 -0.191 -7.400 1.00 0.00 C ATOM 972 CD GLU C 63 93.731 -0.537 -8.408 1.00 0.00 C ATOM 973 OE1 GLU C 63 94.040 -1.710 -8.537 1.00 0.00 O ATOM 974 OE2 GLU C 63 94.243 0.376 -9.035 1.00 0.00 O ATOM 0 H GLU C 63 90.631 -0.007 -8.794 1.00 0.00 H new ATOM 0 HA GLU C 63 91.965 -2.560 -8.929 1.00 0.00 H new ATOM 0 HB2 GLU C 63 91.013 -1.193 -6.392 1.00 0.00 H new ATOM 0 HB3 GLU C 63 92.432 -2.196 -6.624 1.00 0.00 H new ATOM 0 HG2 GLU C 63 92.001 0.598 -7.797 1.00 0.00 H new ATOM 0 HG3 GLU C 63 93.087 0.192 -6.483 1.00 0.00 H new ATOM 981 N VAL C 64 88.825 -2.430 -8.357 1.00 0.00 N ATOM 982 CA VAL C 64 87.624 -3.204 -8.062 1.00 0.00 C ATOM 983 C VAL C 64 86.774 -3.381 -9.322 1.00 0.00 C ATOM 984 O VAL C 64 86.138 -4.417 -9.517 1.00 0.00 O ATOM 985 CB VAL C 64 86.804 -2.510 -6.964 1.00 0.00 C ATOM 986 CG1 VAL C 64 87.758 -1.809 -5.993 1.00 0.00 C ATOM 987 CG2 VAL C 64 85.861 -1.468 -7.578 1.00 0.00 C ATOM 0 H VAL C 64 88.655 -1.533 -8.812 1.00 0.00 H new ATOM 0 HA VAL C 64 87.927 -4.190 -7.708 1.00 0.00 H new ATOM 0 HB VAL C 64 86.212 -3.259 -6.438 1.00 0.00 H new ATOM 0 HG11 VAL C 64 87.182 -1.314 -5.211 1.00 0.00 H new ATOM 0 HG12 VAL C 64 88.424 -2.545 -5.543 1.00 0.00 H new ATOM 0 HG13 VAL C 64 88.348 -1.068 -6.533 1.00 0.00 H new ATOM 0 HG21 VAL C 64 85.287 -0.985 -6.787 1.00 0.00 H new ATOM 0 HG22 VAL C 64 86.445 -0.718 -8.112 1.00 0.00 H new ATOM 0 HG23 VAL C 64 85.179 -1.959 -8.273 1.00 0.00 H new ATOM 997 N ASP C 65 86.776 -2.359 -10.174 1.00 0.00 N ATOM 998 CA ASP C 65 86.006 -2.411 -11.414 1.00 0.00 C ATOM 999 C ASP C 65 86.640 -3.402 -12.386 1.00 0.00 C ATOM 1000 O ASP C 65 87.244 -3.014 -13.385 1.00 0.00 O ATOM 1001 CB ASP C 65 85.954 -1.029 -12.072 1.00 0.00 C ATOM 1002 CG ASP C 65 84.573 -0.413 -11.870 1.00 0.00 C ATOM 1003 OD1 ASP C 65 83.684 -1.125 -11.436 1.00 0.00 O ATOM 1004 OD2 ASP C 65 84.426 0.764 -12.155 1.00 0.00 O ATOM 0 H ASP C 65 87.296 -1.493 -10.031 1.00 0.00 H new ATOM 0 HA ASP C 65 84.993 -2.733 -11.171 1.00 0.00 H new ATOM 0 HB2 ASP C 65 86.718 -0.382 -11.641 1.00 0.00 H new ATOM 0 HB3 ASP C 65 86.172 -1.114 -13.137 1.00 0.00 H new ATOM 1009 N GLU C 66 86.496 -4.688 -12.076 1.00 0.00 N ATOM 1010 CA GLU C 66 87.061 -5.735 -12.924 1.00 0.00 C ATOM 1011 C GLU C 66 86.230 -5.908 -14.191 1.00 0.00 C ATOM 1012 O GLU C 66 86.756 -6.233 -15.256 1.00 0.00 O ATOM 1013 CB GLU C 66 87.103 -7.066 -12.172 1.00 0.00 C ATOM 1014 CG GLU C 66 88.555 -7.531 -12.035 1.00 0.00 C ATOM 1015 CD GLU C 66 88.597 -9.054 -11.975 1.00 0.00 C ATOM 1016 OE1 GLU C 66 87.554 -9.648 -11.758 1.00 0.00 O ATOM 1017 OE2 GLU C 66 89.672 -9.605 -12.147 1.00 0.00 O ATOM 0 H GLU C 66 85.999 -5.028 -11.253 1.00 0.00 H new ATOM 0 HA GLU C 66 88.074 -5.436 -13.194 1.00 0.00 H new ATOM 0 HB2 GLU C 66 86.652 -6.953 -11.186 1.00 0.00 H new ATOM 0 HB3 GLU C 66 86.519 -7.816 -12.706 1.00 0.00 H new ATOM 0 HG2 GLU C 66 89.144 -7.173 -12.880 1.00 0.00 H new ATOM 0 HG3 GLU C 66 89.000 -7.108 -11.134 1.00 0.00 H new ATOM 1024 N ASP C 67 84.924 -5.690 -14.065 1.00 0.00 N ATOM 1025 CA ASP C 67 84.027 -5.827 -15.210 1.00 0.00 C ATOM 1026 C ASP C 67 84.028 -4.550 -16.046 1.00 0.00 C ATOM 1027 O ASP C 67 83.685 -4.564 -17.227 1.00 0.00 O ATOM 1028 CB ASP C 67 82.599 -6.116 -14.742 1.00 0.00 C ATOM 1029 CG ASP C 67 82.054 -4.906 -13.991 1.00 0.00 C ATOM 1030 OD1 ASP C 67 82.781 -4.365 -13.174 1.00 0.00 O ATOM 1031 OD2 ASP C 67 80.919 -4.539 -14.242 1.00 0.00 O ATOM 0 H ASP C 67 84.467 -5.421 -13.194 1.00 0.00 H new ATOM 0 HA ASP C 67 84.384 -6.659 -15.818 1.00 0.00 H new ATOM 0 HB2 ASP C 67 81.963 -6.342 -15.598 1.00 0.00 H new ATOM 0 HB3 ASP C 67 82.588 -6.994 -14.096 1.00 0.00 H new ATOM 1036 N GLY C 68 84.421 -3.445 -15.418 1.00 0.00 N ATOM 1037 CA GLY C 68 84.468 -2.161 -16.112 1.00 0.00 C ATOM 1038 C GLY C 68 83.155 -1.402 -15.943 1.00 0.00 C ATOM 1039 O GLY C 68 82.905 -0.407 -16.622 1.00 0.00 O ATOM 0 H GLY C 68 84.709 -3.412 -14.440 1.00 0.00 H new ATOM 0 HA2 GLY C 68 85.291 -1.562 -15.722 1.00 0.00 H new ATOM 0 HA3 GLY C 68 84.665 -2.323 -17.172 1.00 0.00 H new ATOM 1043 N SER C 69 82.318 -1.885 -15.029 1.00 0.00 N ATOM 1044 CA SER C 69 81.030 -1.246 -14.776 1.00 0.00 C ATOM 1045 C SER C 69 81.214 0.248 -14.526 1.00 0.00 C ATOM 1046 O SER C 69 80.345 1.058 -14.849 1.00 0.00 O ATOM 1047 CB SER C 69 80.352 -1.874 -13.559 1.00 0.00 C ATOM 1048 OG SER C 69 81.335 -2.508 -12.752 1.00 0.00 O ATOM 0 H SER C 69 82.505 -2.708 -14.456 1.00 0.00 H new ATOM 0 HA SER C 69 80.404 -1.392 -15.657 1.00 0.00 H new ATOM 0 HB2 SER C 69 79.830 -1.109 -12.984 1.00 0.00 H new ATOM 0 HB3 SER C 69 79.604 -2.599 -13.879 1.00 0.00 H new ATOM 0 HG SER C 69 81.978 -1.840 -12.434 1.00 0.00 H new ATOM 1054 N GLY C 70 82.357 0.603 -13.947 1.00 0.00 N ATOM 1055 CA GLY C 70 82.649 2.004 -13.656 1.00 0.00 C ATOM 1056 C GLY C 70 82.126 2.392 -12.277 1.00 0.00 C ATOM 1057 O GLY C 70 81.966 3.573 -11.968 1.00 0.00 O ATOM 0 H GLY C 70 83.090 -0.051 -13.672 1.00 0.00 H new ATOM 0 HA2 GLY C 70 83.725 2.173 -13.702 1.00 0.00 H new ATOM 0 HA3 GLY C 70 82.193 2.640 -14.415 1.00 0.00 H new ATOM 1061 N THR C 71 81.863 1.384 -11.451 1.00 0.00 N ATOM 1062 CA THR C 71 81.359 1.630 -10.104 1.00 0.00 C ATOM 1063 C THR C 71 81.756 0.492 -9.170 1.00 0.00 C ATOM 1064 O THR C 71 82.354 -0.498 -9.592 1.00 0.00 O ATOM 1065 CB THR C 71 79.834 1.758 -10.115 1.00 0.00 C ATOM 1066 OG1 THR C 71 79.325 1.240 -11.337 1.00 0.00 O ATOM 1067 CG2 THR C 71 79.444 3.230 -9.980 1.00 0.00 C ATOM 0 H THR C 71 81.989 0.400 -11.687 1.00 0.00 H new ATOM 0 HA THR C 71 81.797 2.562 -9.748 1.00 0.00 H new ATOM 0 HB THR C 71 79.415 1.196 -9.280 1.00 0.00 H new ATOM 0 HG1 THR C 71 78.348 1.320 -11.345 1.00 0.00 H new ATOM 0 HG21 THR C 71 78.358 3.321 -9.988 1.00 0.00 H new ATOM 0 HG22 THR C 71 79.834 3.625 -9.042 1.00 0.00 H new ATOM 0 HG23 THR C 71 79.861 3.795 -10.814 1.00 0.00 H new ATOM 1075 N VAL C 72 81.417 0.646 -7.893 1.00 0.00 N ATOM 1076 CA VAL C 72 81.744 -0.375 -6.902 1.00 0.00 C ATOM 1077 C VAL C 72 80.510 -0.748 -6.085 1.00 0.00 C ATOM 1078 O VAL C 72 80.154 -0.065 -5.125 1.00 0.00 O ATOM 1079 CB VAL C 72 82.831 0.129 -5.953 1.00 0.00 C ATOM 1080 CG1 VAL C 72 83.475 -1.061 -5.238 1.00 0.00 C ATOM 1081 CG2 VAL C 72 83.898 0.883 -6.751 1.00 0.00 C ATOM 0 H VAL C 72 80.922 1.457 -7.523 1.00 0.00 H new ATOM 0 HA VAL C 72 82.104 -1.254 -7.437 1.00 0.00 H new ATOM 0 HB VAL C 72 82.388 0.800 -5.217 1.00 0.00 H new ATOM 0 HG11 VAL C 72 84.250 -0.703 -4.561 1.00 0.00 H new ATOM 0 HG12 VAL C 72 82.716 -1.598 -4.669 1.00 0.00 H new ATOM 0 HG13 VAL C 72 83.918 -1.732 -5.974 1.00 0.00 H new ATOM 0 HG21 VAL C 72 84.673 1.242 -6.074 1.00 0.00 H new ATOM 0 HG22 VAL C 72 84.342 0.214 -7.488 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.440 1.731 -7.260 1.00 0.00 H new ATOM 1091 N ASP C 73 79.866 -1.844 -6.475 1.00 0.00 N ATOM 1092 CA ASP C 73 78.674 -2.307 -5.770 1.00 0.00 C ATOM 1093 C ASP C 73 79.059 -2.914 -4.425 1.00 0.00 C ATOM 1094 O ASP C 73 80.239 -3.025 -4.093 1.00 0.00 O ATOM 1095 CB ASP C 73 77.937 -3.360 -6.600 1.00 0.00 C ATOM 1096 CG ASP C 73 78.905 -4.471 -6.989 1.00 0.00 C ATOM 1097 OD1 ASP C 73 79.591 -4.967 -6.111 1.00 0.00 O ATOM 1098 OD2 ASP C 73 78.947 -4.810 -8.161 1.00 0.00 O ATOM 0 H ASP C 73 80.145 -2.423 -7.267 1.00 0.00 H new ATOM 0 HA ASP C 73 78.020 -1.450 -5.610 1.00 0.00 H new ATOM 0 HB2 ASP C 73 77.105 -3.772 -6.028 1.00 0.00 H new ATOM 0 HB3 ASP C 73 77.514 -2.902 -7.494 1.00 0.00 H new ATOM 1103 N PHE C 74 78.049 -3.301 -3.655 1.00 0.00 N ATOM 1104 CA PHE C 74 78.285 -3.893 -2.341 1.00 0.00 C ATOM 1105 C PHE C 74 79.183 -5.123 -2.452 1.00 0.00 C ATOM 1106 O PHE C 74 79.745 -5.588 -1.460 1.00 0.00 O ATOM 1107 CB PHE C 74 76.958 -4.298 -1.697 1.00 0.00 C ATOM 1108 CG PHE C 74 77.224 -5.015 -0.394 1.00 0.00 C ATOM 1109 CD1 PHE C 74 77.539 -6.379 -0.396 1.00 0.00 C ATOM 1110 CD2 PHE C 74 77.155 -4.314 0.817 1.00 0.00 C ATOM 1111 CE1 PHE C 74 77.785 -7.043 0.813 1.00 0.00 C ATOM 1112 CE2 PHE C 74 77.401 -4.978 2.026 1.00 0.00 C ATOM 1113 CZ PHE C 74 77.716 -6.342 2.023 1.00 0.00 C ATOM 0 H PHE C 74 77.066 -3.217 -3.914 1.00 0.00 H new ATOM 0 HA PHE C 74 78.781 -3.146 -1.721 1.00 0.00 H new ATOM 0 HB2 PHE C 74 76.344 -3.415 -1.519 1.00 0.00 H new ATOM 0 HB3 PHE C 74 76.397 -4.945 -2.372 1.00 0.00 H new ATOM 0 HD1 PHE C 74 77.592 -6.919 -1.329 1.00 0.00 H new ATOM 0 HD2 PHE C 74 76.912 -3.262 0.819 1.00 0.00 H new ATOM 0 HE1 PHE C 74 78.028 -8.095 0.812 1.00 0.00 H new ATOM 0 HE2 PHE C 74 77.348 -4.438 2.960 1.00 0.00 H new ATOM 0 HZ PHE C 74 77.906 -6.854 2.955 1.00 0.00 H new ATOM 1123 N ASP C 75 79.312 -5.649 -3.668 1.00 0.00 N ATOM 1124 CA ASP C 75 80.145 -6.830 -3.889 1.00 0.00 C ATOM 1125 C ASP C 75 81.616 -6.440 -4.000 1.00 0.00 C ATOM 1126 O ASP C 75 82.375 -6.541 -3.036 1.00 0.00 O ATOM 1127 CB ASP C 75 79.725 -7.552 -5.171 1.00 0.00 C ATOM 1128 CG ASP C 75 79.143 -8.917 -4.819 1.00 0.00 C ATOM 1129 OD1 ASP C 75 78.149 -8.951 -4.114 1.00 0.00 O ATOM 1130 OD2 ASP C 75 79.701 -9.909 -5.261 1.00 0.00 O ATOM 0 H ASP C 75 78.858 -5.283 -4.505 1.00 0.00 H new ATOM 0 HA ASP C 75 80.010 -7.495 -3.036 1.00 0.00 H new ATOM 0 HB2 ASP C 75 78.987 -6.958 -5.710 1.00 0.00 H new ATOM 0 HB3 ASP C 75 80.583 -7.670 -5.832 1.00 0.00 H new ATOM 1135 N GLU C 76 82.010 -6.000 -5.192 1.00 0.00 N ATOM 1136 CA GLU C 76 83.396 -5.602 -5.430 1.00 0.00 C ATOM 1137 C GLU C 76 83.925 -4.758 -4.274 1.00 0.00 C ATOM 1138 O GLU C 76 85.129 -4.717 -4.020 1.00 0.00 O ATOM 1139 CB GLU C 76 83.512 -4.798 -6.728 1.00 0.00 C ATOM 1140 CG GLU C 76 82.350 -3.809 -6.834 1.00 0.00 C ATOM 1141 CD GLU C 76 81.806 -3.817 -8.259 1.00 0.00 C ATOM 1142 OE1 GLU C 76 81.709 -4.891 -8.829 1.00 0.00 O ATOM 1143 OE2 GLU C 76 81.494 -2.749 -8.759 1.00 0.00 O ATOM 0 H GLU C 76 81.396 -5.910 -6.002 1.00 0.00 H new ATOM 0 HA GLU C 76 83.990 -6.512 -5.512 1.00 0.00 H new ATOM 0 HB2 GLU C 76 84.461 -4.262 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU C 76 83.507 -5.472 -7.585 1.00 0.00 H new ATOM 0 HG2 GLU C 76 81.562 -4.080 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU C 76 82.685 -2.807 -6.567 1.00 0.00 H new ATOM 1150 N PHE C 77 83.016 -4.083 -3.574 1.00 0.00 N ATOM 1151 CA PHE C 77 83.414 -3.242 -2.447 1.00 0.00 C ATOM 1152 C PHE C 77 84.034 -4.091 -1.342 1.00 0.00 C ATOM 1153 O PHE C 77 85.041 -3.717 -0.742 1.00 0.00 O ATOM 1154 CB PHE C 77 82.205 -2.493 -1.880 1.00 0.00 C ATOM 1155 CG PHE C 77 82.654 -1.258 -1.121 1.00 0.00 C ATOM 1156 CD1 PHE C 77 84.019 -0.999 -0.914 1.00 0.00 C ATOM 1157 CD2 PHE C 77 81.694 -0.370 -0.621 1.00 0.00 C ATOM 1158 CE1 PHE C 77 84.415 0.146 -0.210 1.00 0.00 C ATOM 1159 CE2 PHE C 77 82.092 0.772 0.083 1.00 0.00 C ATOM 1160 CZ PHE C 77 83.452 1.030 0.288 1.00 0.00 C ATOM 0 H PHE C 77 82.014 -4.100 -3.763 1.00 0.00 H new ATOM 0 HA PHE C 77 84.148 -2.522 -2.809 1.00 0.00 H new ATOM 0 HB2 PHE C 77 81.535 -2.206 -2.690 1.00 0.00 H new ATOM 0 HB3 PHE C 77 81.641 -3.149 -1.217 1.00 0.00 H new ATOM 0 HD1 PHE C 77 84.763 -1.682 -1.297 1.00 0.00 H new ATOM 0 HD2 PHE C 77 80.644 -0.567 -0.779 1.00 0.00 H new ATOM 0 HE1 PHE C 77 85.464 0.346 -0.052 1.00 0.00 H new ATOM 0 HE2 PHE C 77 81.349 1.455 0.468 1.00 0.00 H new ATOM 0 HZ PHE C 77 83.758 1.912 0.831 1.00 0.00 H new ATOM 1170 N LEU C 78 83.418 -5.241 -1.080 1.00 0.00 N ATOM 1171 CA LEU C 78 83.916 -6.142 -0.043 1.00 0.00 C ATOM 1172 C LEU C 78 85.272 -6.713 -0.447 1.00 0.00 C ATOM 1173 O LEU C 78 86.300 -6.382 0.143 1.00 0.00 O ATOM 1174 CB LEU C 78 82.933 -7.293 0.184 1.00 0.00 C ATOM 1175 CG LEU C 78 81.895 -6.885 1.233 1.00 0.00 C ATOM 1176 CD1 LEU C 78 82.542 -6.880 2.618 1.00 0.00 C ATOM 1177 CD2 LEU C 78 81.365 -5.484 0.914 1.00 0.00 C ATOM 0 H LEU C 78 82.583 -5.569 -1.565 1.00 0.00 H new ATOM 0 HA LEU C 78 84.021 -5.572 0.880 1.00 0.00 H new ATOM 0 HB2 LEU C 78 82.437 -7.550 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU C 78 83.469 -8.182 0.515 1.00 0.00 H new ATOM 0 HG LEU C 78 81.070 -7.597 1.219 1.00 0.00 H new ATOM 0 HD11 LEU C 78 81.802 -6.589 3.364 1.00 0.00 H new ATOM 0 HD12 LEU C 78 82.917 -7.877 2.848 1.00 0.00 H new ATOM 0 HD13 LEU C 78 83.369 -6.170 2.631 1.00 0.00 H new ATOM 0 HD21 LEU C 78 80.626 -5.195 1.662 1.00 0.00 H new ATOM 0 HD22 LEU C 78 82.190 -4.772 0.925 1.00 0.00 H new ATOM 0 HD23 LEU C 78 80.901 -5.486 -0.072 1.00 0.00 H new ATOM 1189 N VAL C 79 85.264 -7.570 -1.465 1.00 0.00 N ATOM 1190 CA VAL C 79 86.504 -8.175 -1.943 1.00 0.00 C ATOM 1191 C VAL C 79 87.610 -7.127 -1.974 1.00 0.00 C ATOM 1192 O VAL C 79 88.726 -7.363 -1.510 1.00 0.00 O ATOM 1193 CB VAL C 79 86.317 -8.746 -3.350 1.00 0.00 C ATOM 1194 CG1 VAL C 79 87.485 -9.676 -3.682 1.00 0.00 C ATOM 1195 CG2 VAL C 79 85.006 -9.534 -3.412 1.00 0.00 C ATOM 0 H VAL C 79 84.425 -7.858 -1.969 1.00 0.00 H new ATOM 0 HA VAL C 79 86.776 -8.983 -1.264 1.00 0.00 H new ATOM 0 HB VAL C 79 86.285 -7.929 -4.071 1.00 0.00 H new ATOM 0 HG11 VAL C 79 87.352 -10.083 -4.684 1.00 0.00 H new ATOM 0 HG12 VAL C 79 88.419 -9.116 -3.638 1.00 0.00 H new ATOM 0 HG13 VAL C 79 87.517 -10.492 -2.960 1.00 0.00 H new ATOM 0 HG21 VAL C 79 84.873 -9.941 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL C 79 85.038 -10.350 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL C 79 84.172 -8.873 -3.175 1.00 0.00 H new ATOM 1205 N MET C 80 87.277 -5.960 -2.517 1.00 0.00 N ATOM 1206 CA MET C 80 88.234 -4.861 -2.599 1.00 0.00 C ATOM 1207 C MET C 80 89.088 -4.824 -1.336 1.00 0.00 C ATOM 1208 O MET C 80 90.279 -5.134 -1.360 1.00 0.00 O ATOM 1209 CB MET C 80 87.482 -3.531 -2.757 1.00 0.00 C ATOM 1210 CG MET C 80 88.377 -2.348 -2.362 1.00 0.00 C ATOM 1211 SD MET C 80 89.662 -2.111 -3.611 1.00 0.00 S ATOM 1212 CE MET C 80 89.533 -0.310 -3.709 1.00 0.00 C ATOM 0 H MET C 80 86.357 -5.751 -2.905 1.00 0.00 H new ATOM 0 HA MET C 80 88.881 -5.013 -3.463 1.00 0.00 H new ATOM 0 HB2 MET C 80 87.153 -3.415 -3.790 1.00 0.00 H new ATOM 0 HB3 MET C 80 86.586 -3.538 -2.136 1.00 0.00 H new ATOM 0 HG2 MET C 80 87.778 -1.442 -2.267 1.00 0.00 H new ATOM 0 HG3 MET C 80 88.832 -2.533 -1.389 1.00 0.00 H new ATOM 0 HE1 MET C 80 90.187 0.059 -4.499 1.00 0.00 H new ATOM 0 HE2 MET C 80 88.503 -0.031 -3.930 1.00 0.00 H new ATOM 0 HE3 MET C 80 89.831 0.128 -2.757 1.00 0.00 H new ATOM 1222 N MET C 81 88.457 -4.440 -0.232 1.00 0.00 N ATOM 1223 CA MET C 81 89.154 -4.362 1.045 1.00 0.00 C ATOM 1224 C MET C 81 89.834 -5.691 1.355 1.00 0.00 C ATOM 1225 O MET C 81 91.060 -5.791 1.369 1.00 0.00 O ATOM 1226 CB MET C 81 88.168 -4.030 2.166 1.00 0.00 C ATOM 1227 CG MET C 81 88.401 -2.596 2.643 1.00 0.00 C ATOM 1228 SD MET C 81 88.354 -1.471 1.225 1.00 0.00 S ATOM 1229 CE MET C 81 86.620 -1.736 0.778 1.00 0.00 C ATOM 0 H MET C 81 87.471 -4.180 -0.196 1.00 0.00 H new ATOM 0 HA MET C 81 89.906 -3.576 0.979 1.00 0.00 H new ATOM 0 HB2 MET C 81 87.144 -4.144 1.810 1.00 0.00 H new ATOM 0 HB3 MET C 81 88.296 -4.726 2.995 1.00 0.00 H new ATOM 0 HG2 MET C 81 87.638 -2.315 3.369 1.00 0.00 H new ATOM 0 HG3 MET C 81 89.364 -2.522 3.148 1.00 0.00 H new ATOM 0 HE1 MET C 81 86.506 -1.653 -0.303 1.00 0.00 H new ATOM 0 HE2 MET C 81 86.309 -2.730 1.100 1.00 0.00 H new ATOM 0 HE3 MET C 81 85.999 -0.985 1.267 1.00 0.00 H new ATOM 1239 N VAL C 82 89.017 -6.710 1.599 1.00 0.00 N ATOM 1240 CA VAL C 82 89.534 -8.040 1.908 1.00 0.00 C ATOM 1241 C VAL C 82 90.758 -8.361 1.053 1.00 0.00 C ATOM 1242 O VAL C 82 91.630 -9.129 1.458 1.00 0.00 O ATOM 1243 CB VAL C 82 88.461 -9.098 1.645 1.00 0.00 C ATOM 1244 CG1 VAL C 82 89.035 -10.489 1.914 1.00 0.00 C ATOM 1245 CG2 VAL C 82 87.265 -8.852 2.567 1.00 0.00 C ATOM 0 H VAL C 82 87.999 -6.642 1.589 1.00 0.00 H new ATOM 0 HA VAL C 82 89.817 -8.050 2.960 1.00 0.00 H new ATOM 0 HB VAL C 82 88.138 -9.035 0.606 1.00 0.00 H new ATOM 0 HG11 VAL C 82 88.269 -11.241 1.726 1.00 0.00 H new ATOM 0 HG12 VAL C 82 89.886 -10.665 1.256 1.00 0.00 H new ATOM 0 HG13 VAL C 82 89.360 -10.554 2.952 1.00 0.00 H new ATOM 0 HG21 VAL C 82 86.500 -9.606 2.380 1.00 0.00 H new ATOM 0 HG22 VAL C 82 87.588 -8.913 3.606 1.00 0.00 H new ATOM 0 HG23 VAL C 82 86.853 -7.862 2.373 1.00 0.00 H new ATOM 1255 N ARG C 83 90.804 -7.778 -0.142 1.00 0.00 N ATOM 1256 CA ARG C 83 91.917 -8.025 -1.055 1.00 0.00 C ATOM 1257 C ARG C 83 93.088 -7.081 -0.784 1.00 0.00 C ATOM 1258 O ARG C 83 94.243 -7.504 -0.753 1.00 0.00 O ATOM 1259 CB ARG C 83 91.463 -7.845 -2.505 1.00 0.00 C ATOM 1260 CG ARG C 83 92.659 -8.025 -3.443 1.00 0.00 C ATOM 1261 CD ARG C 83 92.225 -7.748 -4.883 1.00 0.00 C ATOM 1262 NE ARG C 83 93.346 -7.923 -5.802 1.00 0.00 N ATOM 1263 CZ ARG C 83 93.707 -9.132 -6.224 1.00 0.00 C ATOM 1264 NH1 ARG C 83 93.062 -10.188 -5.809 1.00 0.00 N ATOM 1265 NH2 ARG C 83 94.708 -9.263 -7.051 1.00 0.00 N ATOM 0 H ARG C 83 90.093 -7.139 -0.498 1.00 0.00 H new ATOM 0 HA ARG C 83 92.249 -9.050 -0.890 1.00 0.00 H new ATOM 0 HB2 ARG C 83 90.686 -8.571 -2.746 1.00 0.00 H new ATOM 0 HB3 ARG C 83 91.028 -6.855 -2.640 1.00 0.00 H new ATOM 0 HG2 ARG C 83 93.463 -7.347 -3.158 1.00 0.00 H new ATOM 0 HG3 ARG C 83 93.051 -9.038 -3.359 1.00 0.00 H new ATOM 0 HD2 ARG C 83 91.413 -8.421 -5.159 1.00 0.00 H new ATOM 0 HD3 ARG C 83 91.838 -6.732 -4.963 1.00 0.00 H new ATOM 0 HE ARG C 83 93.861 -7.104 -6.126 1.00 0.00 H new ATOM 0 HH11 ARG C 83 92.281 -10.087 -5.161 1.00 0.00 H new ATOM 0 HH12 ARG C 83 93.339 -11.115 -6.133 1.00 0.00 H new ATOM 0 HH21 ARG C 83 95.214 -8.438 -7.374 1.00 0.00 H new ATOM 0 HH22 ARG C 83 94.984 -10.190 -7.374 1.00 0.00 H new ATOM 1279 N CYS C 84 92.788 -5.795 -0.613 1.00 0.00 N ATOM 1280 CA CYS C 84 93.844 -4.812 -0.376 1.00 0.00 C ATOM 1281 C CYS C 84 94.198 -4.702 1.107 1.00 0.00 C ATOM 1282 O CYS C 84 95.362 -4.526 1.464 1.00 0.00 O ATOM 1283 CB CYS C 84 93.432 -3.435 -0.903 1.00 0.00 C ATOM 1284 SG CYS C 84 92.235 -2.672 0.223 1.00 0.00 S ATOM 0 H CYS C 84 91.842 -5.414 -0.633 1.00 0.00 H new ATOM 0 HA CYS C 84 94.726 -5.159 -0.914 1.00 0.00 H new ATOM 0 HB2 CYS C 84 94.310 -2.796 -1.000 1.00 0.00 H new ATOM 0 HB3 CYS C 84 92.997 -3.533 -1.898 1.00 0.00 H new ATOM 0 HG CYS C 84 91.894 -1.503 -0.233 1.00 0.00 H new ATOM 1290 N MET C 85 93.196 -4.802 1.975 1.00 0.00 N ATOM 1291 CA MET C 85 93.460 -4.705 3.410 1.00 0.00 C ATOM 1292 C MET C 85 94.315 -5.884 3.872 1.00 0.00 C ATOM 1293 O MET C 85 94.830 -5.896 4.989 1.00 0.00 O ATOM 1294 CB MET C 85 92.155 -4.658 4.212 1.00 0.00 C ATOM 1295 CG MET C 85 91.553 -6.060 4.337 1.00 0.00 C ATOM 1296 SD MET C 85 90.189 -6.039 5.535 1.00 0.00 S ATOM 1297 CE MET C 85 89.582 -4.363 5.203 1.00 0.00 C ATOM 0 H MET C 85 92.218 -4.946 1.722 1.00 0.00 H new ATOM 0 HA MET C 85 94.003 -3.777 3.589 1.00 0.00 H new ATOM 0 HB2 MET C 85 92.345 -4.247 5.204 1.00 0.00 H new ATOM 0 HB3 MET C 85 91.444 -3.993 3.722 1.00 0.00 H new ATOM 0 HG2 MET C 85 91.191 -6.398 3.366 1.00 0.00 H new ATOM 0 HG3 MET C 85 92.319 -6.767 4.656 1.00 0.00 H new ATOM 0 HE1 MET C 85 88.539 -4.286 5.511 1.00 0.00 H new ATOM 0 HE2 MET C 85 90.180 -3.642 5.761 1.00 0.00 H new ATOM 0 HE3 MET C 85 89.661 -4.152 4.137 1.00 0.00 H new ATOM 1307 N LYS C 86 94.473 -6.868 2.987 1.00 0.00 N ATOM 1308 CA LYS C 86 95.283 -8.043 3.295 1.00 0.00 C ATOM 1309 C LYS C 86 96.271 -8.306 2.161 1.00 0.00 C ATOM 1310 O LYS C 86 96.861 -9.382 2.066 1.00 0.00 O ATOM 1311 CB LYS C 86 94.398 -9.276 3.479 1.00 0.00 C ATOM 1312 CG LYS C 86 93.223 -8.929 4.394 1.00 0.00 C ATOM 1313 CD LYS C 86 92.614 -10.213 4.961 1.00 0.00 C ATOM 1314 CE LYS C 86 93.710 -11.061 5.610 1.00 0.00 C ATOM 1315 NZ LYS C 86 94.026 -12.221 4.728 1.00 0.00 N ATOM 0 H LYS C 86 94.053 -6.874 2.057 1.00 0.00 H new ATOM 0 HA LYS C 86 95.824 -7.850 4.221 1.00 0.00 H new ATOM 0 HB2 LYS C 86 94.030 -9.620 2.512 1.00 0.00 H new ATOM 0 HB3 LYS C 86 94.978 -10.092 3.909 1.00 0.00 H new ATOM 0 HG2 LYS C 86 93.560 -8.285 5.207 1.00 0.00 H new ATOM 0 HG3 LYS C 86 92.469 -8.372 3.838 1.00 0.00 H new ATOM 0 HD2 LYS C 86 91.846 -9.969 5.696 1.00 0.00 H new ATOM 0 HD3 LYS C 86 92.127 -10.778 4.166 1.00 0.00 H new ATOM 0 HE2 LYS C 86 94.604 -10.458 5.771 1.00 0.00 H new ATOM 0 HE3 LYS C 86 93.382 -11.413 6.588 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 95.003 -12.533 4.902 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 93.371 -13.002 4.934 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 93.925 -11.938 3.732 1.00 0.00 H new ATOM 1392 N ILE I 148 93.383 0.205 5.833 1.00 0.00 N ATOM 1393 CA ILE I 148 91.955 0.432 6.039 1.00 0.00 C ATOM 1394 C ILE I 148 91.390 -0.582 7.029 1.00 0.00 C ATOM 1395 O ILE I 148 91.340 -1.781 6.754 1.00 0.00 O ATOM 1396 CB ILE I 148 91.200 0.309 4.715 1.00 0.00 C ATOM 1397 CG1 ILE I 148 91.642 1.430 3.771 1.00 0.00 C ATOM 1398 CG2 ILE I 148 89.696 0.424 4.969 1.00 0.00 C ATOM 1399 CD1 ILE I 148 90.804 1.375 2.493 1.00 0.00 C ATOM 0 HA ILE I 148 91.828 1.438 6.439 1.00 0.00 H new ATOM 0 HB ILE I 148 91.419 -0.658 4.263 1.00 0.00 H new ATOM 0 HG12 ILE I 148 91.522 2.398 4.257 1.00 0.00 H new ATOM 0 HG13 ILE I 148 92.700 1.323 3.531 1.00 0.00 H new ATOM 0 HG21 ILE I 148 89.160 0.336 4.024 1.00 0.00 H new ATOM 0 HG22 ILE I 148 89.379 -0.373 5.642 1.00 0.00 H new ATOM 0 HG23 ILE I 148 89.476 1.391 5.422 1.00 0.00 H new ATOM 0 HD11 ILE I 148 91.116 2.172 1.819 1.00 0.00 H new ATOM 0 HD12 ILE I 148 90.947 0.411 2.006 1.00 0.00 H new ATOM 0 HD13 ILE I 148 89.751 1.503 2.743 1.00 0.00 H new ATOM 1411 N SER I 149 90.964 -0.085 8.188 1.00 0.00 N ATOM 1412 CA SER I 149 90.402 -0.953 9.219 1.00 0.00 C ATOM 1413 C SER I 149 88.917 -0.658 9.425 1.00 0.00 C ATOM 1414 O SER I 149 88.254 -1.291 10.247 1.00 0.00 O ATOM 1415 CB SER I 149 91.136 -0.752 10.545 1.00 0.00 C ATOM 1416 OG SER I 149 92.411 -1.375 10.475 1.00 0.00 O ATOM 0 H SER I 149 90.997 0.904 8.435 1.00 0.00 H new ATOM 0 HA SER I 149 90.522 -1.984 8.887 1.00 0.00 H new ATOM 0 HB2 SER I 149 91.249 0.312 10.754 1.00 0.00 H new ATOM 0 HB3 SER I 149 90.555 -1.177 11.363 1.00 0.00 H new ATOM 0 HG SER I 149 92.885 -1.246 11.323 1.00 0.00 H new ATOM 1422 N ALA I 150 88.402 0.310 8.668 1.00 0.00 N ATOM 1423 CA ALA I 150 86.992 0.682 8.774 1.00 0.00 C ATOM 1424 C ALA I 150 86.780 1.673 9.916 1.00 0.00 C ATOM 1425 O ALA I 150 85.706 2.259 10.055 1.00 0.00 O ATOM 1426 CB ALA I 150 86.125 -0.555 9.021 1.00 0.00 C ATOM 0 H ALA I 150 88.933 0.846 7.982 1.00 0.00 H new ATOM 0 HA ALA I 150 86.700 1.147 7.832 1.00 0.00 H new ATOM 0 HB1 ALA I 150 85.079 -0.257 9.097 1.00 0.00 H new ATOM 0 HB2 ALA I 150 86.244 -1.254 8.193 1.00 0.00 H new ATOM 0 HB3 ALA I 150 86.433 -1.036 9.949 1.00 0.00 H new ATOM 1432 N ASP I 151 87.815 1.855 10.732 1.00 0.00 N ATOM 1433 CA ASP I 151 87.730 2.778 11.860 1.00 0.00 C ATOM 1434 C ASP I 151 87.952 4.215 11.395 1.00 0.00 C ATOM 1435 O ASP I 151 87.712 5.166 12.139 1.00 0.00 O ATOM 1436 CB ASP I 151 88.779 2.430 12.919 1.00 0.00 C ATOM 1437 CG ASP I 151 88.472 1.057 13.510 1.00 0.00 C ATOM 1438 OD1 ASP I 151 87.304 0.766 13.706 1.00 0.00 O ATOM 1439 OD2 ASP I 151 89.410 0.318 13.758 1.00 0.00 O ATOM 0 H ASP I 151 88.713 1.381 10.635 1.00 0.00 H new ATOM 0 HA ASP I 151 86.733 2.686 12.292 1.00 0.00 H new ATOM 0 HB2 ASP I 151 89.774 2.432 12.474 1.00 0.00 H new ATOM 0 HB3 ASP I 151 88.780 3.184 13.706 1.00 0.00 H new ATOM 1444 N ALA I 152 88.416 4.364 10.155 1.00 0.00 N ATOM 1445 CA ALA I 152 88.669 5.692 9.601 1.00 0.00 C ATOM 1446 C ALA I 152 87.391 6.286 9.021 1.00 0.00 C ATOM 1447 O ALA I 152 87.211 7.503 8.995 1.00 0.00 O ATOM 1448 CB ALA I 152 89.725 5.622 8.495 1.00 0.00 C ATOM 0 H ALA I 152 88.622 3.591 9.522 1.00 0.00 H new ATOM 0 HA ALA I 152 89.030 6.325 10.412 1.00 0.00 H new ATOM 0 HB1 ALA I 152 89.900 6.621 8.095 1.00 0.00 H new ATOM 0 HB2 ALA I 152 90.655 5.227 8.904 1.00 0.00 H new ATOM 0 HB3 ALA I 152 89.373 4.968 7.697 1.00 0.00 H new ATOM 1454 N MET I 153 86.507 5.412 8.548 1.00 0.00 N ATOM 1455 CA MET I 153 85.248 5.860 7.958 1.00 0.00 C ATOM 1456 C MET I 153 84.247 6.250 9.041 1.00 0.00 C ATOM 1457 O MET I 153 83.389 7.106 8.830 1.00 0.00 O ATOM 1458 CB MET I 153 84.642 4.753 7.095 1.00 0.00 C ATOM 1459 CG MET I 153 85.152 4.889 5.660 1.00 0.00 C ATOM 1460 SD MET I 153 84.493 6.407 4.928 1.00 0.00 S ATOM 1461 CE MET I 153 82.755 5.905 4.899 1.00 0.00 C ATOM 0 H MET I 153 86.636 4.400 8.561 1.00 0.00 H new ATOM 0 HA MET I 153 85.463 6.732 7.340 1.00 0.00 H new ATOM 0 HB2 MET I 153 84.910 3.776 7.497 1.00 0.00 H new ATOM 0 HB3 MET I 153 83.554 4.817 7.113 1.00 0.00 H new ATOM 0 HG2 MET I 153 86.242 4.911 5.650 1.00 0.00 H new ATOM 0 HG3 MET I 153 84.845 4.025 5.070 1.00 0.00 H new ATOM 0 HE1 MET I 153 82.132 6.730 5.246 1.00 0.00 H new ATOM 0 HE2 MET I 153 82.470 5.638 3.881 1.00 0.00 H new ATOM 0 HE3 MET I 153 82.614 5.044 5.553 1.00 0.00 H new ATOM 1471 N MET I 154 84.362 5.611 10.200 1.00 0.00 N ATOM 1472 CA MET I 154 83.454 5.900 11.307 1.00 0.00 C ATOM 1473 C MET I 154 83.160 7.396 11.382 1.00 0.00 C ATOM 1474 O MET I 154 82.005 7.812 11.474 1.00 0.00 O ATOM 1475 CB MET I 154 84.060 5.444 12.635 1.00 0.00 C ATOM 1476 CG MET I 154 83.021 4.641 13.419 1.00 0.00 C ATOM 1477 SD MET I 154 83.717 3.032 13.873 1.00 0.00 S ATOM 1478 CE MET I 154 83.832 2.354 12.200 1.00 0.00 C ATOM 0 H MET I 154 85.065 4.899 10.398 1.00 0.00 H new ATOM 0 HA MET I 154 82.527 5.356 11.128 1.00 0.00 H new ATOM 0 HB2 MET I 154 84.945 4.834 12.453 1.00 0.00 H new ATOM 0 HB3 MET I 154 84.382 6.308 13.216 1.00 0.00 H new ATOM 0 HG2 MET I 154 82.725 5.187 14.315 1.00 0.00 H new ATOM 0 HG3 MET I 154 82.122 4.504 12.817 1.00 0.00 H new ATOM 0 HE1 MET I 154 84.678 1.669 12.142 1.00 0.00 H new ATOM 0 HE2 MET I 154 82.914 1.818 11.961 1.00 0.00 H new ATOM 0 HE3 MET I 154 83.974 3.166 11.487 1.00 0.00 H new ATOM 1488 N GLN I 155 84.219 8.199 11.343 1.00 0.00 N ATOM 1489 CA GLN I 155 84.067 9.651 11.409 1.00 0.00 C ATOM 1490 C GLN I 155 83.008 10.126 10.418 1.00 0.00 C ATOM 1491 O GLN I 155 82.272 11.077 10.682 1.00 0.00 O ATOM 1492 CB GLN I 155 85.394 10.345 11.090 1.00 0.00 C ATOM 1493 CG GLN I 155 85.176 11.858 11.026 1.00 0.00 C ATOM 1494 CD GLN I 155 86.483 12.575 11.350 1.00 0.00 C ATOM 1495 OE1 GLN I 155 86.573 13.294 12.345 1.00 0.00 O ATOM 1496 NE2 GLN I 155 87.512 12.421 10.562 1.00 0.00 N ATOM 0 H GLN I 155 85.183 7.875 11.267 1.00 0.00 H new ATOM 0 HA GLN I 155 83.757 9.908 12.422 1.00 0.00 H new ATOM 0 HB2 GLN I 155 86.135 10.106 11.853 1.00 0.00 H new ATOM 0 HB3 GLN I 155 85.787 9.983 10.140 1.00 0.00 H new ATOM 0 HG2 GLN I 155 84.828 12.144 10.033 1.00 0.00 H new ATOM 0 HG3 GLN I 155 84.401 12.155 11.733 1.00 0.00 H new ATOM 0 HE21 GLN I 155 87.438 11.825 9.737 1.00 0.00 H new ATOM 0 HE22 GLN I 155 88.390 12.896 10.771 1.00 0.00 H new ATOM 1505 N ALA I 156 82.941 9.453 9.273 1.00 0.00 N ATOM 1506 CA ALA I 156 81.969 9.815 8.243 1.00 0.00 C ATOM 1507 C ALA I 156 80.623 9.152 8.516 1.00 0.00 C ATOM 1508 O ALA I 156 79.581 9.619 8.056 1.00 0.00 O ATOM 1509 CB ALA I 156 82.464 9.379 6.863 1.00 0.00 C ATOM 0 H ALA I 156 83.540 8.663 9.035 1.00 0.00 H new ATOM 0 HA ALA I 156 81.850 10.898 8.264 1.00 0.00 H new ATOM 0 HB1 ALA I 156 81.728 9.656 6.108 1.00 0.00 H new ATOM 0 HB2 ALA I 156 83.412 9.871 6.644 1.00 0.00 H new ATOM 0 HB3 ALA I 156 82.605 8.298 6.852 1.00 0.00 H new ATOM 1515 N LEU I 157 80.657 8.058 9.270 1.00 0.00 N ATOM 1516 CA LEU I 157 79.430 7.336 9.600 1.00 0.00 C ATOM 1517 C LEU I 157 78.927 7.755 10.978 1.00 0.00 C ATOM 1518 O LEU I 157 78.465 6.929 11.765 1.00 0.00 O ATOM 1519 CB LEU I 157 79.660 5.817 9.595 1.00 0.00 C ATOM 1520 CG LEU I 157 80.994 5.482 8.918 1.00 0.00 C ATOM 1521 CD1 LEU I 157 81.149 3.963 8.824 1.00 0.00 C ATOM 1522 CD2 LEU I 157 81.019 6.083 7.511 1.00 0.00 C ATOM 0 H LEU I 157 81.509 7.655 9.661 1.00 0.00 H new ATOM 0 HA LEU I 157 78.688 7.584 8.841 1.00 0.00 H new ATOM 0 HB2 LEU I 157 79.658 5.439 10.617 1.00 0.00 H new ATOM 0 HB3 LEU I 157 78.844 5.321 9.070 1.00 0.00 H new ATOM 0 HG LEU I 157 81.813 5.897 9.505 1.00 0.00 H new ATOM 0 HD11 LEU I 157 82.097 3.723 8.343 1.00 0.00 H new ATOM 0 HD12 LEU I 157 81.131 3.533 9.825 1.00 0.00 H new ATOM 0 HD13 LEU I 157 80.329 3.549 8.237 1.00 0.00 H new ATOM 0 HD21 LEU I 157 81.968 5.844 7.030 1.00 0.00 H new ATOM 0 HD22 LEU I 157 80.200 5.668 6.923 1.00 0.00 H new ATOM 0 HD23 LEU I 157 80.907 7.165 7.576 1.00 0.00 H new