USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=17 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 Set 1.1: C 80 MET CE :methyl -116:sc= -0.445 (180deg=-1.36!) USER MOD Set 1.2: C 81 MET CE :methyl -118:sc= -2.24 (180deg=-5.97!) USER MOD Set 2.1: C 35 CYS SG : rot -76:sc= 1.42 USER MOD Set 2.2: C 69 SER OG : rot -116:sc= 1.05 USER MOD Set 2.3: C 71 THR OG1 : rot -179:sc= -0.0767 USER MOD Single : C 5 TYR OH : rot 30: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= 0.124 USER MOD Single : C 16 GLN : amide:sc= -8.82! C(o=-8.8!,f=-13!) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -2.46! X(o=-2.5!,f=-2.3) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 37 SER OG : rot 180:sc= -0.332 USER MOD Single : C 38 THR OG1 : rot 180:sc= -0.623 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 -161:sc= -0.261 (180deg=-1.03) USER MOD Single : C 47 MET CE :methyl -145:sc= -9.6! (180deg=-13.2!) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 51 ASN : amide:sc= -0.714 K(o=-0.71,f=-0.061) USER MOD Single : C 53 THR OG1 : rot 180:sc=-0.00204 USER MOD Single : C 58 GLN : amide:sc=-0.00631 X(o=-0.0063,f=-0.082) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot -29:sc= -2.12! USER MOD Single : C 85 MET CE :methyl 152:sc= -0.745 (180deg=-1.82!) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 149 SER OG : rot 180:sc= 0 USER MOD Single : I 153 MET CE :methyl -148:sc= 0 (180deg=-1.7!) USER MOD Single : I 154 MET CE :methyl -174:sc= -2.11 (180deg=-2.27) USER MOD Single : I 155 GLN : amide:sc= -1.86! C(o=-1.9!,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 86.367 -16.098 -0.544 1.00 0.00 N ATOM 64 CA TYR C 5 86.089 -14.805 0.072 1.00 0.00 C ATOM 65 C TYR C 5 84.788 -14.867 0.866 1.00 0.00 C ATOM 66 O TYR C 5 84.615 -14.161 1.860 1.00 0.00 O ATOM 67 CB TYR C 5 85.977 -13.717 -0.998 1.00 0.00 C ATOM 68 CG TYR C 5 87.282 -13.624 -1.750 1.00 0.00 C ATOM 69 CD1 TYR C 5 87.573 -14.544 -2.766 1.00 0.00 C ATOM 70 CD2 TYR C 5 88.204 -12.619 -1.432 1.00 0.00 C ATOM 71 CE1 TYR C 5 88.785 -14.460 -3.462 1.00 0.00 C ATOM 72 CE2 TYR C 5 89.416 -12.535 -2.129 1.00 0.00 C ATOM 73 CZ TYR C 5 89.706 -13.455 -3.144 1.00 0.00 C ATOM 74 OH TYR C 5 90.901 -13.373 -3.830 1.00 0.00 O ATOM 0 HA TYR C 5 86.912 -14.563 0.745 1.00 0.00 H new ATOM 0 HB2 TYR C 5 85.163 -13.949 -1.685 1.00 0.00 H new ATOM 0 HB3 TYR C 5 85.741 -12.759 -0.536 1.00 0.00 H new ATOM 0 HD1 TYR C 5 86.862 -15.319 -3.012 1.00 0.00 H new ATOM 0 HD2 TYR C 5 87.981 -11.909 -0.650 1.00 0.00 H new ATOM 0 HE1 TYR C 5 89.009 -15.170 -4.244 1.00 0.00 H new ATOM 0 HE2 TYR C 5 90.127 -11.760 -1.883 1.00 0.00 H new ATOM 0 HH TYR C 5 90.779 -13.711 -4.742 1.00 0.00 H new ATOM 84 N LYS C 6 83.876 -15.729 0.420 1.00 0.00 N ATOM 85 CA LYS C 6 82.594 -15.883 1.101 1.00 0.00 C ATOM 86 C LYS C 6 82.817 -16.097 2.593 1.00 0.00 C ATOM 87 O LYS C 6 82.111 -15.533 3.429 1.00 0.00 O ATOM 88 CB LYS C 6 81.824 -17.080 0.538 1.00 0.00 C ATOM 89 CG LYS C 6 81.035 -16.644 -0.699 1.00 0.00 C ATOM 90 CD LYS C 6 79.900 -15.709 -0.277 1.00 0.00 C ATOM 91 CE LYS C 6 78.706 -15.900 -1.214 1.00 0.00 C ATOM 92 NZ LYS C 6 78.088 -14.576 -1.510 1.00 0.00 N ATOM 0 H LYS C 6 83.999 -16.324 -0.399 1.00 0.00 H new ATOM 0 HA LYS C 6 82.014 -14.974 0.940 1.00 0.00 H new ATOM 0 HB2 LYS C 6 82.516 -17.881 0.277 1.00 0.00 H new ATOM 0 HB3 LYS C 6 81.146 -17.478 1.293 1.00 0.00 H new ATOM 0 HG2 LYS C 6 81.694 -16.138 -1.404 1.00 0.00 H new ATOM 0 HG3 LYS C 6 80.630 -17.517 -1.211 1.00 0.00 H new ATOM 0 HD2 LYS C 6 79.606 -15.918 0.751 1.00 0.00 H new ATOM 0 HD3 LYS C 6 80.238 -14.673 -0.308 1.00 0.00 H new ATOM 0 HE2 LYS C 6 79.029 -16.377 -2.139 1.00 0.00 H new ATOM 0 HE3 LYS C 6 77.972 -16.561 -0.754 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 77.276 -14.706 -2.147 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 77.766 -14.137 -0.624 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 78.790 -13.959 -1.966 1.00 0.00 H new ATOM 106 N ALA C 7 83.813 -16.916 2.917 1.00 0.00 N ATOM 107 CA ALA C 7 84.131 -17.197 4.313 1.00 0.00 C ATOM 108 C ALA C 7 84.775 -15.976 4.959 1.00 0.00 C ATOM 109 O ALA C 7 84.363 -15.533 6.032 1.00 0.00 O ATOM 110 CB ALA C 7 85.089 -18.384 4.419 1.00 0.00 C ATOM 0 H ALA C 7 84.408 -17.392 2.240 1.00 0.00 H new ATOM 0 HA ALA C 7 83.203 -17.440 4.831 1.00 0.00 H new ATOM 0 HB1 ALA C 7 85.314 -18.578 5.468 1.00 0.00 H new ATOM 0 HB2 ALA C 7 84.625 -19.266 3.979 1.00 0.00 H new ATOM 0 HB3 ALA C 7 86.012 -18.155 3.886 1.00 0.00 H new ATOM 116 N ALA C 8 85.786 -15.430 4.288 1.00 0.00 N ATOM 117 CA ALA C 8 86.476 -14.250 4.800 1.00 0.00 C ATOM 118 C ALA C 8 85.476 -13.121 5.017 1.00 0.00 C ATOM 119 O ALA C 8 85.653 -12.268 5.887 1.00 0.00 O ATOM 120 CB ALA C 8 87.552 -13.785 3.816 1.00 0.00 C ATOM 0 H ALA C 8 86.142 -15.781 3.399 1.00 0.00 H new ATOM 0 HA ALA C 8 86.949 -14.513 5.746 1.00 0.00 H new ATOM 0 HB1 ALA C 8 88.055 -12.904 4.216 1.00 0.00 H new ATOM 0 HB2 ALA C 8 88.280 -14.583 3.669 1.00 0.00 H new ATOM 0 HB3 ALA C 8 87.089 -13.536 2.861 1.00 0.00 H new ATOM 126 N VAL C 9 84.415 -13.135 4.215 1.00 0.00 N ATOM 127 CA VAL C 9 83.375 -12.117 4.321 1.00 0.00 C ATOM 128 C VAL C 9 82.355 -12.523 5.380 1.00 0.00 C ATOM 129 O VAL C 9 81.701 -11.678 5.991 1.00 0.00 O ATOM 130 CB VAL C 9 82.662 -11.940 2.979 1.00 0.00 C ATOM 131 CG1 VAL C 9 81.418 -11.069 3.169 1.00 0.00 C ATOM 132 CG2 VAL C 9 83.608 -11.263 1.984 1.00 0.00 C ATOM 0 H VAL C 9 84.253 -13.834 3.490 1.00 0.00 H new ATOM 0 HA VAL C 9 83.844 -11.175 4.605 1.00 0.00 H new ATOM 0 HB VAL C 9 82.366 -12.917 2.596 1.00 0.00 H new ATOM 0 HG11 VAL C 9 80.912 -10.944 2.212 1.00 0.00 H new ATOM 0 HG12 VAL C 9 80.742 -11.549 3.877 1.00 0.00 H new ATOM 0 HG13 VAL C 9 81.713 -10.093 3.554 1.00 0.00 H new ATOM 0 HG21 VAL C 9 83.100 -11.137 1.028 1.00 0.00 H new ATOM 0 HG22 VAL C 9 83.904 -10.287 2.369 1.00 0.00 H new ATOM 0 HG23 VAL C 9 84.494 -11.882 1.845 1.00 0.00 H new ATOM 142 N GLU C 10 82.236 -13.831 5.595 1.00 0.00 N ATOM 143 CA GLU C 10 81.300 -14.348 6.590 1.00 0.00 C ATOM 144 C GLU C 10 81.931 -14.280 7.975 1.00 0.00 C ATOM 145 O GLU C 10 81.239 -14.192 8.989 1.00 0.00 O ATOM 146 CB GLU C 10 80.925 -15.800 6.279 1.00 0.00 C ATOM 147 CG GLU C 10 79.995 -15.838 5.065 1.00 0.00 C ATOM 148 CD GLU C 10 78.571 -16.134 5.524 1.00 0.00 C ATOM 149 OE1 GLU C 10 78.346 -17.221 6.029 1.00 0.00 O ATOM 150 OE2 GLU C 10 77.726 -15.268 5.363 1.00 0.00 O ATOM 0 H GLU C 10 82.770 -14.545 5.100 1.00 0.00 H new ATOM 0 HA GLU C 10 80.398 -13.736 6.562 1.00 0.00 H new ATOM 0 HB2 GLU C 10 81.824 -16.384 6.081 1.00 0.00 H new ATOM 0 HB3 GLU C 10 80.434 -16.253 7.141 1.00 0.00 H new ATOM 0 HG2 GLU C 10 80.028 -14.884 4.538 1.00 0.00 H new ATOM 0 HG3 GLU C 10 80.328 -16.602 4.362 1.00 0.00 H new ATOM 157 N GLN C 11 83.261 -14.307 7.999 1.00 0.00 N ATOM 158 CA GLN C 11 83.998 -14.235 9.257 1.00 0.00 C ATOM 159 C GLN C 11 83.603 -12.980 10.016 1.00 0.00 C ATOM 160 O GLN C 11 83.299 -13.017 11.208 1.00 0.00 O ATOM 161 CB GLN C 11 85.501 -14.174 8.989 1.00 0.00 C ATOM 162 CG GLN C 11 85.999 -15.538 8.507 1.00 0.00 C ATOM 163 CD GLN C 11 87.348 -15.842 9.152 1.00 0.00 C ATOM 164 OE1 GLN C 11 88.379 -15.324 8.723 1.00 0.00 O ATOM 165 NE2 GLN C 11 87.402 -16.659 10.167 1.00 0.00 N ATOM 0 H GLN C 11 83.847 -14.378 7.167 1.00 0.00 H new ATOM 0 HA GLN C 11 83.760 -15.124 9.842 1.00 0.00 H new ATOM 0 HB2 GLN C 11 85.715 -13.413 8.239 1.00 0.00 H new ATOM 0 HB3 GLN C 11 86.030 -13.884 9.897 1.00 0.00 H new ATOM 0 HG2 GLN C 11 85.277 -16.313 8.765 1.00 0.00 H new ATOM 0 HG3 GLN C 11 86.094 -15.540 7.421 1.00 0.00 H new ATOM 0 HE21 GLN C 11 86.548 -17.088 10.522 1.00 0.00 H new ATOM 0 HE22 GLN C 11 88.299 -16.869 10.606 1.00 0.00 H new ATOM 174 N LEU C 12 83.626 -11.863 9.300 1.00 0.00 N ATOM 175 CA LEU C 12 83.286 -10.578 9.890 1.00 0.00 C ATOM 176 C LEU C 12 81.952 -10.656 10.623 1.00 0.00 C ATOM 177 O LEU C 12 80.899 -10.835 10.012 1.00 0.00 O ATOM 178 CB LEU C 12 83.206 -9.507 8.803 1.00 0.00 C ATOM 179 CG LEU C 12 84.549 -9.428 8.076 1.00 0.00 C ATOM 180 CD1 LEU C 12 84.578 -8.184 7.187 1.00 0.00 C ATOM 181 CD2 LEU C 12 85.680 -9.348 9.105 1.00 0.00 C ATOM 0 H LEU C 12 83.876 -11.822 8.312 1.00 0.00 H new ATOM 0 HA LEU C 12 84.066 -10.315 10.605 1.00 0.00 H new ATOM 0 HB2 LEU C 12 82.410 -9.746 8.097 1.00 0.00 H new ATOM 0 HB3 LEU C 12 82.960 -8.541 9.245 1.00 0.00 H new ATOM 0 HG LEU C 12 84.681 -10.316 7.458 1.00 0.00 H new ATOM 0 HD11 LEU C 12 85.536 -8.129 6.669 1.00 0.00 H new ATOM 0 HD12 LEU C 12 83.773 -8.241 6.455 1.00 0.00 H new ATOM 0 HD13 LEU C 12 84.446 -7.294 7.802 1.00 0.00 H new ATOM 0 HD21 LEU C 12 86.638 -9.292 8.589 1.00 0.00 H new ATOM 0 HD22 LEU C 12 85.548 -8.460 9.723 1.00 0.00 H new ATOM 0 HD23 LEU C 12 85.660 -10.236 9.737 1.00 0.00 H new ATOM 193 N THR C 13 82.013 -10.519 11.944 1.00 0.00 N ATOM 194 CA THR C 13 80.807 -10.573 12.763 1.00 0.00 C ATOM 195 C THR C 13 79.921 -9.364 12.488 1.00 0.00 C ATOM 196 O THR C 13 80.267 -8.488 11.695 1.00 0.00 O ATOM 197 CB THR C 13 81.170 -10.597 14.249 1.00 0.00 C ATOM 198 OG1 THR C 13 82.584 -10.634 14.388 1.00 0.00 O ATOM 199 CG2 THR C 13 80.559 -11.835 14.904 1.00 0.00 C ATOM 0 H THR C 13 82.876 -10.371 12.466 1.00 0.00 H new ATOM 0 HA THR C 13 80.267 -11.484 12.506 1.00 0.00 H new ATOM 0 HB THR C 13 80.780 -9.702 14.734 1.00 0.00 H new ATOM 0 HG1 THR C 13 82.819 -10.648 15.339 1.00 0.00 H new ATOM 0 HG21 THR C 13 80.818 -11.852 15.963 1.00 0.00 H new ATOM 0 HG22 THR C 13 79.475 -11.806 14.796 1.00 0.00 H new ATOM 0 HG23 THR C 13 80.948 -12.732 14.421 1.00 0.00 H new ATOM 207 N GLU C 14 78.770 -9.327 13.152 1.00 0.00 N ATOM 208 CA GLU C 14 77.833 -8.223 12.974 1.00 0.00 C ATOM 209 C GLU C 14 78.400 -6.936 13.568 1.00 0.00 C ATOM 210 O GLU C 14 77.861 -5.850 13.357 1.00 0.00 O ATOM 211 CB GLU C 14 76.498 -8.538 13.651 1.00 0.00 C ATOM 212 CG GLU C 14 76.689 -8.573 15.168 1.00 0.00 C ATOM 213 CD GLU C 14 75.655 -9.504 15.792 1.00 0.00 C ATOM 214 OE1 GLU C 14 74.480 -9.181 15.726 1.00 0.00 O ATOM 215 OE2 GLU C 14 76.053 -10.525 16.328 1.00 0.00 O ATOM 0 H GLU C 14 78.465 -10.042 13.813 1.00 0.00 H new ATOM 0 HA GLU C 14 77.675 -8.089 11.904 1.00 0.00 H new ATOM 0 HB2 GLU C 14 75.757 -7.784 13.385 1.00 0.00 H new ATOM 0 HB3 GLU C 14 76.118 -9.497 13.300 1.00 0.00 H new ATOM 0 HG2 GLU C 14 77.695 -8.916 15.410 1.00 0.00 H new ATOM 0 HG3 GLU C 14 76.586 -7.570 15.581 1.00 0.00 H new ATOM 222 N GLU C 15 79.492 -7.069 14.317 1.00 0.00 N ATOM 223 CA GLU C 15 80.121 -5.907 14.937 1.00 0.00 C ATOM 224 C GLU C 15 80.881 -5.092 13.898 1.00 0.00 C ATOM 225 O GLU C 15 80.544 -3.941 13.623 1.00 0.00 O ATOM 226 CB GLU C 15 81.100 -6.338 16.030 1.00 0.00 C ATOM 227 CG GLU C 15 80.381 -7.238 17.036 1.00 0.00 C ATOM 228 CD GLU C 15 80.918 -6.963 18.437 1.00 0.00 C ATOM 229 OE1 GLU C 15 81.409 -5.867 18.657 1.00 0.00 O ATOM 230 OE2 GLU C 15 80.830 -7.851 19.268 1.00 0.00 O ATOM 0 H GLU C 15 79.954 -7.958 14.507 1.00 0.00 H new ATOM 0 HA GLU C 15 79.329 -5.300 15.375 1.00 0.00 H new ATOM 0 HB2 GLU C 15 81.943 -6.870 15.588 1.00 0.00 H new ATOM 0 HB3 GLU C 15 81.505 -5.462 16.536 1.00 0.00 H new ATOM 0 HG2 GLU C 15 79.307 -7.053 17.003 1.00 0.00 H new ATOM 0 HG3 GLU C 15 80.532 -8.286 16.776 1.00 0.00 H new ATOM 237 N GLN C 16 81.917 -5.702 13.328 1.00 0.00 N ATOM 238 CA GLN C 16 82.724 -5.017 12.324 1.00 0.00 C ATOM 239 C GLN C 16 81.866 -4.641 11.116 1.00 0.00 C ATOM 240 O GLN C 16 82.115 -3.638 10.450 1.00 0.00 O ATOM 241 CB GLN C 16 83.901 -5.899 11.873 1.00 0.00 C ATOM 242 CG GLN C 16 83.459 -6.848 10.755 1.00 0.00 C ATOM 243 CD GLN C 16 83.756 -6.210 9.402 1.00 0.00 C ATOM 244 OE1 GLN C 16 82.840 -5.919 8.632 1.00 0.00 O ATOM 245 NE2 GLN C 16 84.994 -5.974 9.059 1.00 0.00 N ATOM 0 H GLN C 16 82.214 -6.655 13.540 1.00 0.00 H new ATOM 0 HA GLN C 16 83.122 -4.108 12.775 1.00 0.00 H new ATOM 0 HB2 GLN C 16 84.721 -5.272 11.523 1.00 0.00 H new ATOM 0 HB3 GLN C 16 84.278 -6.474 12.719 1.00 0.00 H new ATOM 0 HG2 GLN C 16 83.982 -7.800 10.843 1.00 0.00 H new ATOM 0 HG3 GLN C 16 82.394 -7.060 10.843 1.00 0.00 H new ATOM 0 HE21 GLN C 16 85.754 -6.214 9.695 1.00 0.00 H new ATOM 0 HE22 GLN C 16 85.201 -5.549 8.155 1.00 0.00 H new ATOM 254 N LYS C 17 80.854 -5.463 10.845 1.00 0.00 N ATOM 255 CA LYS C 17 79.962 -5.213 9.716 1.00 0.00 C ATOM 256 C LYS C 17 79.184 -3.918 9.927 1.00 0.00 C ATOM 257 O LYS C 17 79.349 -2.951 9.183 1.00 0.00 O ATOM 258 CB LYS C 17 78.970 -6.365 9.549 1.00 0.00 C ATOM 259 CG LYS C 17 79.092 -6.943 8.138 1.00 0.00 C ATOM 260 CD LYS C 17 79.486 -8.418 8.223 1.00 0.00 C ATOM 261 CE LYS C 17 78.405 -9.274 7.562 1.00 0.00 C ATOM 262 NZ LYS C 17 78.806 -9.584 6.161 1.00 0.00 N ATOM 0 H LYS C 17 80.633 -6.299 11.386 1.00 0.00 H new ATOM 0 HA LYS C 17 80.575 -5.129 8.819 1.00 0.00 H new ATOM 0 HB2 LYS C 17 79.168 -7.140 10.289 1.00 0.00 H new ATOM 0 HB3 LYS C 17 77.954 -6.012 9.722 1.00 0.00 H new ATOM 0 HG2 LYS C 17 78.145 -6.839 7.608 1.00 0.00 H new ATOM 0 HG3 LYS C 17 79.839 -6.388 7.570 1.00 0.00 H new ATOM 0 HD2 LYS C 17 80.444 -8.578 7.729 1.00 0.00 H new ATOM 0 HD3 LYS C 17 79.611 -8.712 9.265 1.00 0.00 H new ATOM 0 HE2 LYS C 17 78.263 -10.197 8.124 1.00 0.00 H new ATOM 0 HE3 LYS C 17 77.452 -8.746 7.570 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 78.071 -10.166 5.710 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 78.921 -8.698 5.629 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 79.706 -10.105 6.165 1.00 0.00 H new ATOM 276 N ASN C 18 78.336 -3.910 10.951 1.00 0.00 N ATOM 277 CA ASN C 18 77.538 -2.725 11.253 1.00 0.00 C ATOM 278 C ASN C 18 78.367 -1.466 11.038 1.00 0.00 C ATOM 279 O ASN C 18 78.088 -0.665 10.147 1.00 0.00 O ATOM 280 CB ASN C 18 77.050 -2.761 12.701 1.00 0.00 C ATOM 281 CG ASN C 18 75.887 -3.739 12.821 1.00 0.00 C ATOM 282 OD1 ASN C 18 75.007 -3.775 11.961 1.00 0.00 O ATOM 283 ND2 ASN C 18 75.830 -4.543 13.846 1.00 0.00 N ATOM 0 H ASN C 18 78.184 -4.699 11.579 1.00 0.00 H new ATOM 0 HA ASN C 18 76.677 -2.716 10.584 1.00 0.00 H new ATOM 0 HB2 ASN C 18 77.862 -3.062 13.362 1.00 0.00 H new ATOM 0 HB3 ASN C 18 76.736 -1.766 13.015 1.00 0.00 H new ATOM 0 HD21 ASN C 18 75.056 -5.202 13.935 1.00 0.00 H new ATOM 0 HD22 ASN C 18 76.559 -4.513 14.559 1.00 0.00 H new ATOM 290 N GLU C 19 79.398 -1.304 11.862 1.00 0.00 N ATOM 291 CA GLU C 19 80.270 -0.141 11.748 1.00 0.00 C ATOM 292 C GLU C 19 80.670 0.072 10.293 1.00 0.00 C ATOM 293 O GLU C 19 80.849 1.201 9.842 1.00 0.00 O ATOM 294 CB GLU C 19 81.535 -0.328 12.589 1.00 0.00 C ATOM 295 CG GLU C 19 81.998 -1.785 12.509 1.00 0.00 C ATOM 296 CD GLU C 19 83.393 -1.844 11.895 1.00 0.00 C ATOM 297 OE1 GLU C 19 83.509 -1.573 10.711 1.00 0.00 O ATOM 298 OE2 GLU C 19 84.324 -2.162 12.617 1.00 0.00 O ATOM 0 H GLU C 19 79.648 -1.955 12.607 1.00 0.00 H new ATOM 0 HA GLU C 19 79.723 0.728 12.113 1.00 0.00 H new ATOM 0 HB2 GLU C 19 82.323 0.334 12.230 1.00 0.00 H new ATOM 0 HB3 GLU C 19 81.337 -0.056 13.626 1.00 0.00 H new ATOM 0 HG2 GLU C 19 82.008 -2.229 13.504 1.00 0.00 H new ATOM 0 HG3 GLU C 19 81.300 -2.367 11.907 1.00 0.00 H new ATOM 305 N PHE C 20 80.807 -1.031 9.564 1.00 0.00 N ATOM 306 CA PHE C 20 81.186 -0.963 8.155 1.00 0.00 C ATOM 307 C PHE C 20 80.014 -0.479 7.311 1.00 0.00 C ATOM 308 O PHE C 20 80.097 0.543 6.631 1.00 0.00 O ATOM 309 CB PHE C 20 81.618 -2.340 7.652 1.00 0.00 C ATOM 310 CG PHE C 20 82.814 -2.196 6.744 1.00 0.00 C ATOM 311 CD1 PHE C 20 82.982 -1.033 5.983 1.00 0.00 C ATOM 312 CD2 PHE C 20 83.755 -3.229 6.662 1.00 0.00 C ATOM 313 CE1 PHE C 20 84.093 -0.903 5.141 1.00 0.00 C ATOM 314 CE2 PHE C 20 84.865 -3.099 5.820 1.00 0.00 C ATOM 315 CZ PHE C 20 85.034 -1.936 5.059 1.00 0.00 C ATOM 0 H PHE C 20 80.663 -1.976 9.921 1.00 0.00 H new ATOM 0 HA PHE C 20 82.016 -0.262 8.064 1.00 0.00 H new ATOM 0 HB2 PHE C 20 81.865 -2.985 8.495 1.00 0.00 H new ATOM 0 HB3 PHE C 20 80.797 -2.816 7.116 1.00 0.00 H new ATOM 0 HD1 PHE C 20 82.255 -0.237 6.045 1.00 0.00 H new ATOM 0 HD2 PHE C 20 83.624 -4.126 7.249 1.00 0.00 H new ATOM 0 HE1 PHE C 20 84.224 -0.006 4.555 1.00 0.00 H new ATOM 0 HE2 PHE C 20 85.591 -3.896 5.757 1.00 0.00 H new ATOM 0 HZ PHE C 20 85.890 -1.836 4.409 1.00 0.00 H new ATOM 325 N LYS C 21 78.920 -1.232 7.362 1.00 0.00 N ATOM 326 CA LYS C 21 77.728 -0.879 6.599 1.00 0.00 C ATOM 327 C LYS C 21 77.440 0.613 6.729 1.00 0.00 C ATOM 328 O LYS C 21 77.011 1.262 5.776 1.00 0.00 O ATOM 329 CB LYS C 21 76.519 -1.672 7.098 1.00 0.00 C ATOM 330 CG LYS C 21 76.857 -3.165 7.105 1.00 0.00 C ATOM 331 CD LYS C 21 75.698 -3.952 6.490 1.00 0.00 C ATOM 332 CE LYS C 21 74.443 -3.758 7.342 1.00 0.00 C ATOM 333 NZ LYS C 21 73.243 -4.170 6.560 1.00 0.00 N ATOM 0 H LYS C 21 78.834 -2.083 7.918 1.00 0.00 H new ATOM 0 HA LYS C 21 77.910 -1.123 5.552 1.00 0.00 H new ATOM 0 HB2 LYS C 21 76.245 -1.345 8.101 1.00 0.00 H new ATOM 0 HB3 LYS C 21 75.658 -1.486 6.456 1.00 0.00 H new ATOM 0 HG2 LYS C 21 77.772 -3.344 6.541 1.00 0.00 H new ATOM 0 HG3 LYS C 21 77.040 -3.503 8.125 1.00 0.00 H new ATOM 0 HD2 LYS C 21 75.515 -3.613 5.470 1.00 0.00 H new ATOM 0 HD3 LYS C 21 75.952 -5.010 6.433 1.00 0.00 H new ATOM 0 HE2 LYS C 21 74.516 -4.349 8.255 1.00 0.00 H new ATOM 0 HE3 LYS C 21 74.353 -2.714 7.644 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 72.389 -4.038 7.139 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 73.172 -3.588 5.701 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 73.329 -5.172 6.294 1.00 0.00 H new ATOM 347 N ALA C 22 77.690 1.151 7.921 1.00 0.00 N ATOM 348 CA ALA C 22 77.462 2.573 8.163 1.00 0.00 C ATOM 349 C ALA C 22 78.146 3.397 7.084 1.00 0.00 C ATOM 350 O ALA C 22 77.600 4.387 6.602 1.00 0.00 O ATOM 351 CB ALA C 22 78.009 2.983 9.531 1.00 0.00 C ATOM 0 H ALA C 22 78.046 0.632 8.724 1.00 0.00 H new ATOM 0 HA ALA C 22 76.388 2.755 8.142 1.00 0.00 H new ATOM 0 HB1 ALA C 22 77.829 4.046 9.691 1.00 0.00 H new ATOM 0 HB2 ALA C 22 77.508 2.409 10.310 1.00 0.00 H new ATOM 0 HB3 ALA C 22 79.081 2.787 9.568 1.00 0.00 H new ATOM 357 N ALA C 23 79.345 2.970 6.702 1.00 0.00 N ATOM 358 CA ALA C 23 80.095 3.673 5.668 1.00 0.00 C ATOM 359 C ALA C 23 79.442 3.449 4.309 1.00 0.00 C ATOM 360 O ALA C 23 79.422 4.338 3.458 1.00 0.00 O ATOM 361 CB ALA C 23 81.539 3.174 5.617 1.00 0.00 C ATOM 0 H ALA C 23 79.814 2.150 7.088 1.00 0.00 H new ATOM 0 HA ALA C 23 80.093 4.736 5.908 1.00 0.00 H new ATOM 0 HB1 ALA C 23 82.082 3.711 4.839 1.00 0.00 H new ATOM 0 HB2 ALA C 23 82.018 3.348 6.580 1.00 0.00 H new ATOM 0 HB3 ALA C 23 81.548 2.107 5.395 1.00 0.00 H new ATOM 367 N PHE C 24 78.901 2.248 4.119 1.00 0.00 N ATOM 368 CA PHE C 24 78.240 1.914 2.862 1.00 0.00 C ATOM 369 C PHE C 24 77.210 2.982 2.518 1.00 0.00 C ATOM 370 O PHE C 24 77.077 3.390 1.364 1.00 0.00 O ATOM 371 CB PHE C 24 77.540 0.559 2.966 1.00 0.00 C ATOM 372 CG PHE C 24 78.265 -0.449 2.107 1.00 0.00 C ATOM 373 CD1 PHE C 24 78.290 -0.295 0.716 1.00 0.00 C ATOM 374 CD2 PHE C 24 78.912 -1.537 2.704 1.00 0.00 C ATOM 375 CE1 PHE C 24 78.963 -1.230 -0.079 1.00 0.00 C ATOM 376 CE2 PHE C 24 79.585 -2.472 1.909 1.00 0.00 C ATOM 377 CZ PHE C 24 79.610 -2.319 0.517 1.00 0.00 C ATOM 0 H PHE C 24 78.907 1.498 4.811 1.00 0.00 H new ATOM 0 HA PHE C 24 78.997 1.865 2.080 1.00 0.00 H new ATOM 0 HB2 PHE C 24 77.524 0.224 4.003 1.00 0.00 H new ATOM 0 HB3 PHE C 24 76.502 0.648 2.644 1.00 0.00 H new ATOM 0 HD1 PHE C 24 77.790 0.545 0.256 1.00 0.00 H new ATOM 0 HD2 PHE C 24 78.892 -1.655 3.777 1.00 0.00 H new ATOM 0 HE1 PHE C 24 78.983 -1.111 -1.152 1.00 0.00 H new ATOM 0 HE2 PHE C 24 80.085 -3.311 2.369 1.00 0.00 H new ATOM 0 HZ PHE C 24 80.128 -3.041 -0.096 1.00 0.00 H new ATOM 387 N ASP C 25 76.489 3.437 3.539 1.00 0.00 N ATOM 388 CA ASP C 25 75.477 4.468 3.343 1.00 0.00 C ATOM 389 C ASP C 25 76.131 5.738 2.814 1.00 0.00 C ATOM 390 O ASP C 25 75.482 6.581 2.195 1.00 0.00 O ATOM 391 CB ASP C 25 74.763 4.778 4.659 1.00 0.00 C ATOM 392 CG ASP C 25 73.397 4.100 4.669 1.00 0.00 C ATOM 393 OD1 ASP C 25 72.496 4.618 4.030 1.00 0.00 O ATOM 394 OD2 ASP C 25 73.273 3.073 5.316 1.00 0.00 O ATOM 0 H ASP C 25 76.586 3.111 4.501 1.00 0.00 H new ATOM 0 HA ASP C 25 74.746 4.102 2.622 1.00 0.00 H new ATOM 0 HB2 ASP C 25 75.361 4.428 5.501 1.00 0.00 H new ATOM 0 HB3 ASP C 25 74.647 5.855 4.777 1.00 0.00 H new ATOM 399 N ILE C 26 77.433 5.858 3.061 1.00 0.00 N ATOM 400 CA ILE C 26 78.181 7.021 2.602 1.00 0.00 C ATOM 401 C ILE C 26 78.876 6.704 1.281 1.00 0.00 C ATOM 402 O ILE C 26 78.938 7.541 0.381 1.00 0.00 O ATOM 403 CB ILE C 26 79.221 7.435 3.643 1.00 0.00 C ATOM 404 CG1 ILE C 26 78.504 7.935 4.900 1.00 0.00 C ATOM 405 CG2 ILE C 26 80.092 8.557 3.076 1.00 0.00 C ATOM 406 CD1 ILE C 26 77.981 6.744 5.705 1.00 0.00 C ATOM 0 H ILE C 26 77.986 5.170 3.572 1.00 0.00 H new ATOM 0 HA ILE C 26 77.483 7.845 2.456 1.00 0.00 H new ATOM 0 HB ILE C 26 79.849 6.580 3.893 1.00 0.00 H new ATOM 0 HG12 ILE C 26 79.188 8.526 5.509 1.00 0.00 H new ATOM 0 HG13 ILE C 26 77.678 8.590 4.623 1.00 0.00 H new ATOM 0 HG21 ILE C 26 80.834 8.852 3.818 1.00 0.00 H new ATOM 0 HG22 ILE C 26 80.598 8.206 2.177 1.00 0.00 H new ATOM 0 HG23 ILE C 26 79.466 9.414 2.828 1.00 0.00 H new ATOM 0 HD11 ILE C 26 77.472 7.104 6.599 1.00 0.00 H new ATOM 0 HD12 ILE C 26 77.282 6.171 5.095 1.00 0.00 H new ATOM 0 HD13 ILE C 26 78.816 6.106 5.996 1.00 0.00 H new ATOM 418 N PHE C 27 79.383 5.476 1.167 1.00 0.00 N ATOM 419 CA PHE C 27 80.053 5.055 -0.062 1.00 0.00 C ATOM 420 C PHE C 27 79.115 5.260 -1.242 1.00 0.00 C ATOM 421 O PHE C 27 79.459 5.907 -2.232 1.00 0.00 O ATOM 422 CB PHE C 27 80.437 3.574 -0.001 1.00 0.00 C ATOM 423 CG PHE C 27 81.415 3.335 1.124 1.00 0.00 C ATOM 424 CD1 PHE C 27 82.338 4.326 1.476 1.00 0.00 C ATOM 425 CD2 PHE C 27 81.401 2.116 1.812 1.00 0.00 C ATOM 426 CE1 PHE C 27 83.245 4.098 2.517 1.00 0.00 C ATOM 427 CE2 PHE C 27 82.309 1.888 2.852 1.00 0.00 C ATOM 428 CZ PHE C 27 83.231 2.879 3.205 1.00 0.00 C ATOM 0 H PHE C 27 79.344 4.766 1.898 1.00 0.00 H new ATOM 0 HA PHE C 27 80.957 5.652 -0.177 1.00 0.00 H new ATOM 0 HB2 PHE C 27 79.545 2.965 0.147 1.00 0.00 H new ATOM 0 HB3 PHE C 27 80.879 3.266 -0.949 1.00 0.00 H new ATOM 0 HD1 PHE C 27 82.350 5.266 0.945 1.00 0.00 H new ATOM 0 HD2 PHE C 27 80.689 1.351 1.540 1.00 0.00 H new ATOM 0 HE1 PHE C 27 83.957 4.863 2.790 1.00 0.00 H new ATOM 0 HE2 PHE C 27 82.298 0.947 3.382 1.00 0.00 H new ATOM 0 HZ PHE C 27 83.932 2.704 4.008 1.00 0.00 H new ATOM 438 N VAL C 28 77.917 4.700 -1.112 1.00 0.00 N ATOM 439 CA VAL C 28 76.907 4.815 -2.155 1.00 0.00 C ATOM 440 C VAL C 28 75.836 5.818 -1.736 1.00 0.00 C ATOM 441 O VAL C 28 74.748 5.864 -2.310 1.00 0.00 O ATOM 442 CB VAL C 28 76.252 3.456 -2.409 1.00 0.00 C ATOM 443 CG1 VAL C 28 77.335 2.386 -2.539 1.00 0.00 C ATOM 444 CG2 VAL C 28 75.333 3.105 -1.236 1.00 0.00 C ATOM 0 H VAL C 28 77.623 4.163 -0.296 1.00 0.00 H new ATOM 0 HA VAL C 28 77.391 5.159 -3.069 1.00 0.00 H new ATOM 0 HB VAL C 28 75.669 3.501 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL C 28 76.869 1.417 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL C 28 77.993 2.634 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL C 28 77.916 2.343 -1.618 1.00 0.00 H new ATOM 0 HG21 VAL C 28 74.866 2.137 -1.417 1.00 0.00 H new ATOM 0 HG22 VAL C 28 75.917 3.060 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL C 28 74.560 3.868 -1.138 1.00 0.00 H new ATOM 454 N LEU C 29 76.160 6.617 -0.722 1.00 0.00 N ATOM 455 CA LEU C 29 75.225 7.617 -0.219 1.00 0.00 C ATOM 456 C LEU C 29 74.494 8.284 -1.386 1.00 0.00 C ATOM 457 O LEU C 29 75.085 9.030 -2.166 1.00 0.00 O ATOM 458 CB LEU C 29 75.984 8.649 0.654 1.00 0.00 C ATOM 459 CG LEU C 29 75.931 10.072 0.070 1.00 0.00 C ATOM 460 CD1 LEU C 29 76.179 11.087 1.187 1.00 0.00 C ATOM 461 CD2 LEU C 29 77.017 10.226 -0.997 1.00 0.00 C ATOM 0 H LEU C 29 77.057 6.591 -0.236 1.00 0.00 H new ATOM 0 HA LEU C 29 74.473 7.138 0.408 1.00 0.00 H new ATOM 0 HB2 LEU C 29 75.556 8.656 1.657 1.00 0.00 H new ATOM 0 HB3 LEU C 29 77.024 8.340 0.753 1.00 0.00 H new ATOM 0 HG LEU C 29 74.952 10.245 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU C 29 76.142 12.096 0.776 1.00 0.00 H new ATOM 0 HD12 LEU C 29 75.412 10.979 1.954 1.00 0.00 H new ATOM 0 HD13 LEU C 29 77.160 10.910 1.628 1.00 0.00 H new ATOM 0 HD21 LEU C 29 76.980 11.234 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU C 29 77.995 10.054 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU C 29 76.850 9.500 -1.793 1.00 0.00 H new ATOM 473 N GLY C 30 73.199 8.001 -1.493 1.00 0.00 N ATOM 474 CA GLY C 30 72.390 8.573 -2.566 1.00 0.00 C ATOM 475 C GLY C 30 72.696 7.894 -3.897 1.00 0.00 C ATOM 476 O GLY C 30 72.694 8.531 -4.950 1.00 0.00 O ATOM 0 H GLY C 30 72.691 7.386 -0.857 1.00 0.00 H new ATOM 0 HA2 GLY C 30 71.332 8.460 -2.330 1.00 0.00 H new ATOM 0 HA3 GLY C 30 72.586 9.642 -2.645 1.00 0.00 H new ATOM 480 N ALA C 31 72.959 6.591 -3.836 1.00 0.00 N ATOM 481 CA ALA C 31 73.268 5.826 -5.042 1.00 0.00 C ATOM 482 C ALA C 31 72.016 5.149 -5.583 1.00 0.00 C ATOM 483 O ALA C 31 70.988 5.075 -4.910 1.00 0.00 O ATOM 484 CB ALA C 31 74.318 4.755 -4.745 1.00 0.00 C ATOM 0 H ALA C 31 72.965 6.047 -2.973 1.00 0.00 H new ATOM 0 HA ALA C 31 73.656 6.522 -5.786 1.00 0.00 H new ATOM 0 HB1 ALA C 31 74.535 4.196 -5.655 1.00 0.00 H new ATOM 0 HB2 ALA C 31 75.231 5.230 -4.385 1.00 0.00 H new ATOM 0 HB3 ALA C 31 73.938 4.074 -3.983 1.00 0.00 H new ATOM 490 N GLU C 32 72.122 4.657 -6.811 1.00 0.00 N ATOM 491 CA GLU C 32 71.001 3.982 -7.455 1.00 0.00 C ATOM 492 C GLU C 32 70.744 2.629 -6.798 1.00 0.00 C ATOM 493 O GLU C 32 69.600 2.255 -6.540 1.00 0.00 O ATOM 494 CB GLU C 32 71.299 3.772 -8.938 1.00 0.00 C ATOM 495 CG GLU C 32 70.016 3.365 -9.668 1.00 0.00 C ATOM 496 CD GLU C 32 70.202 3.553 -11.170 1.00 0.00 C ATOM 497 OE1 GLU C 32 71.187 4.161 -11.553 1.00 0.00 O ATOM 498 OE2 GLU C 32 69.356 3.085 -11.914 1.00 0.00 O ATOM 0 H GLU C 32 72.968 4.712 -7.379 1.00 0.00 H new ATOM 0 HA GLU C 32 70.115 4.607 -7.345 1.00 0.00 H new ATOM 0 HB2 GLU C 32 71.701 4.688 -9.372 1.00 0.00 H new ATOM 0 HB3 GLU C 32 72.059 3.001 -9.061 1.00 0.00 H new ATOM 0 HG2 GLU C 32 69.775 2.325 -9.448 1.00 0.00 H new ATOM 0 HG3 GLU C 32 69.179 3.968 -9.317 1.00 0.00 H new ATOM 505 N ASP C 33 71.824 1.901 -6.531 1.00 0.00 N ATOM 506 CA ASP C 33 71.709 0.587 -5.900 1.00 0.00 C ATOM 507 C ASP C 33 72.585 0.520 -4.653 1.00 0.00 C ATOM 508 O ASP C 33 72.136 0.816 -3.545 1.00 0.00 O ATOM 509 CB ASP C 33 72.131 -0.527 -6.867 1.00 0.00 C ATOM 510 CG ASP C 33 73.022 0.044 -7.966 1.00 0.00 C ATOM 511 OD1 ASP C 33 72.504 0.757 -8.809 1.00 0.00 O ATOM 512 OD2 ASP C 33 74.208 -0.241 -7.948 1.00 0.00 O ATOM 0 H ASP C 33 72.779 2.193 -6.738 1.00 0.00 H new ATOM 0 HA ASP C 33 70.664 0.442 -5.625 1.00 0.00 H new ATOM 0 HB2 ASP C 33 72.664 -1.308 -6.325 1.00 0.00 H new ATOM 0 HB3 ASP C 33 71.248 -0.991 -7.308 1.00 0.00 H new ATOM 517 N GLY C 34 73.842 0.129 -4.844 1.00 0.00 N ATOM 518 CA GLY C 34 74.776 0.028 -3.726 1.00 0.00 C ATOM 519 C GLY C 34 76.213 -0.049 -4.227 1.00 0.00 C ATOM 520 O GLY C 34 77.090 -0.600 -3.562 1.00 0.00 O ATOM 0 H GLY C 34 74.235 -0.121 -5.752 1.00 0.00 H new ATOM 0 HA2 GLY C 34 74.660 0.891 -3.071 1.00 0.00 H new ATOM 0 HA3 GLY C 34 74.545 -0.856 -3.132 1.00 0.00 H new ATOM 524 N CYS C 35 76.444 0.510 -5.411 1.00 0.00 N ATOM 525 CA CYS C 35 77.779 0.502 -5.998 1.00 0.00 C ATOM 526 C CYS C 35 78.495 1.817 -5.706 1.00 0.00 C ATOM 527 O CYS C 35 77.868 2.819 -5.363 1.00 0.00 O ATOM 528 CB CYS C 35 77.695 0.301 -7.511 1.00 0.00 C ATOM 529 SG CYS C 35 76.525 1.490 -8.214 1.00 0.00 S ATOM 0 H CYS C 35 75.732 0.970 -5.978 1.00 0.00 H new ATOM 0 HA CYS C 35 78.339 -0.321 -5.555 1.00 0.00 H new ATOM 0 HB2 CYS C 35 78.679 0.433 -7.961 1.00 0.00 H new ATOM 0 HB3 CYS C 35 77.375 -0.716 -7.736 1.00 0.00 H new ATOM 0 HG CYS C 35 75.310 1.103 -7.963 1.00 0.00 H new ATOM 535 N ILE C 36 79.818 1.801 -5.845 1.00 0.00 N ATOM 536 CA ILE C 36 80.615 2.999 -5.591 1.00 0.00 C ATOM 537 C ILE C 36 81.233 3.517 -6.886 1.00 0.00 C ATOM 538 O ILE C 36 81.587 2.745 -7.776 1.00 0.00 O ATOM 539 CB ILE C 36 81.736 2.696 -4.594 1.00 0.00 C ATOM 540 CG1 ILE C 36 81.211 1.751 -3.510 1.00 0.00 C ATOM 541 CG2 ILE C 36 82.212 3.997 -3.948 1.00 0.00 C ATOM 542 CD1 ILE C 36 82.390 1.178 -2.720 1.00 0.00 C ATOM 0 H ILE C 36 80.356 0.982 -6.129 1.00 0.00 H new ATOM 0 HA ILE C 36 79.952 3.758 -5.175 1.00 0.00 H new ATOM 0 HB ILE C 36 82.569 2.225 -5.116 1.00 0.00 H new ATOM 0 HG12 ILE C 36 80.537 2.286 -2.841 1.00 0.00 H new ATOM 0 HG13 ILE C 36 80.636 0.944 -3.963 1.00 0.00 H new ATOM 0 HG21 ILE C 36 83.010 3.780 -3.238 1.00 0.00 H new ATOM 0 HG22 ILE C 36 82.585 4.671 -4.719 1.00 0.00 H new ATOM 0 HG23 ILE C 36 81.380 4.469 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE C 36 82.018 0.505 -1.948 1.00 0.00 H new ATOM 0 HD12 ILE C 36 83.047 0.629 -3.394 1.00 0.00 H new ATOM 0 HD13 ILE C 36 82.946 1.992 -2.255 1.00 0.00 H new ATOM 554 N SER C 37 81.361 4.838 -6.976 1.00 0.00 N ATOM 555 CA SER C 37 81.942 5.460 -8.161 1.00 0.00 C ATOM 556 C SER C 37 83.067 6.409 -7.761 1.00 0.00 C ATOM 557 O SER C 37 83.272 6.688 -6.580 1.00 0.00 O ATOM 558 CB SER C 37 80.880 6.241 -8.935 1.00 0.00 C ATOM 559 OG SER C 37 79.814 5.367 -9.282 1.00 0.00 O ATOM 0 H SER C 37 81.073 5.493 -6.249 1.00 0.00 H new ATOM 0 HA SER C 37 82.340 4.669 -8.797 1.00 0.00 H new ATOM 0 HB2 SER C 37 80.506 7.067 -8.330 1.00 0.00 H new ATOM 0 HB3 SER C 37 81.316 6.677 -9.834 1.00 0.00 H new ATOM 0 HG SER C 37 79.130 5.865 -9.777 1.00 0.00 H new ATOM 565 N THR C 38 83.797 6.897 -8.759 1.00 0.00 N ATOM 566 CA THR C 38 84.907 7.812 -8.504 1.00 0.00 C ATOM 567 C THR C 38 84.443 9.001 -7.666 1.00 0.00 C ATOM 568 O THR C 38 84.993 9.279 -6.600 1.00 0.00 O ATOM 569 CB THR C 38 85.489 8.327 -9.823 1.00 0.00 C ATOM 570 OG1 THR C 38 84.621 9.311 -10.370 1.00 0.00 O ATOM 571 CG2 THR C 38 85.634 7.165 -10.808 1.00 0.00 C ATOM 0 H THR C 38 83.643 6.678 -9.743 1.00 0.00 H new ATOM 0 HA THR C 38 85.674 7.263 -7.957 1.00 0.00 H new ATOM 0 HB THR C 38 86.469 8.768 -9.640 1.00 0.00 H new ATOM 0 HG1 THR C 38 84.993 9.643 -11.214 1.00 0.00 H new ATOM 0 HG21 THR C 38 86.048 7.533 -11.747 1.00 0.00 H new ATOM 0 HG22 THR C 38 86.301 6.412 -10.387 1.00 0.00 H new ATOM 0 HG23 THR C 38 84.656 6.721 -10.993 1.00 0.00 H new ATOM 579 N LYS C 39 83.428 9.702 -8.162 1.00 0.00 N ATOM 580 CA LYS C 39 82.897 10.867 -7.456 1.00 0.00 C ATOM 581 C LYS C 39 82.176 10.443 -6.179 1.00 0.00 C ATOM 582 O LYS C 39 82.336 11.059 -5.125 1.00 0.00 O ATOM 583 CB LYS C 39 81.915 11.631 -8.348 1.00 0.00 C ATOM 584 CG LYS C 39 82.682 12.335 -9.470 1.00 0.00 C ATOM 585 CD LYS C 39 81.736 12.607 -10.642 1.00 0.00 C ATOM 586 CE LYS C 39 82.535 12.643 -11.946 1.00 0.00 C ATOM 587 NZ LYS C 39 83.226 13.957 -12.065 1.00 0.00 N ATOM 0 H LYS C 39 82.959 9.488 -9.042 1.00 0.00 H new ATOM 0 HA LYS C 39 83.738 11.512 -7.199 1.00 0.00 H new ATOM 0 HB2 LYS C 39 81.182 10.944 -8.770 1.00 0.00 H new ATOM 0 HB3 LYS C 39 81.364 12.362 -7.756 1.00 0.00 H new ATOM 0 HG2 LYS C 39 83.104 13.271 -9.105 1.00 0.00 H new ATOM 0 HG3 LYS C 39 83.517 11.716 -9.799 1.00 0.00 H new ATOM 0 HD2 LYS C 39 80.971 11.832 -10.693 1.00 0.00 H new ATOM 0 HD3 LYS C 39 81.219 13.555 -10.493 1.00 0.00 H new ATOM 0 HE2 LYS C 39 83.264 11.833 -11.961 1.00 0.00 H new ATOM 0 HE3 LYS C 39 81.871 12.490 -12.797 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 83.770 13.984 -12.951 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 82.521 14.721 -12.068 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 83.871 14.085 -11.259 1.00 0.00 H new ATOM 601 N GLU C 40 81.374 9.387 -6.287 1.00 0.00 N ATOM 602 CA GLU C 40 80.623 8.889 -5.136 1.00 0.00 C ATOM 603 C GLU C 40 81.565 8.524 -3.992 1.00 0.00 C ATOM 604 O GLU C 40 81.234 8.693 -2.819 1.00 0.00 O ATOM 605 CB GLU C 40 79.809 7.653 -5.524 1.00 0.00 C ATOM 606 CG GLU C 40 78.317 7.992 -5.492 1.00 0.00 C ATOM 607 CD GLU C 40 77.857 8.394 -6.889 1.00 0.00 C ATOM 608 OE1 GLU C 40 78.710 8.590 -7.739 1.00 0.00 O ATOM 609 OE2 GLU C 40 76.658 8.500 -7.088 1.00 0.00 O ATOM 0 H GLU C 40 81.227 8.863 -7.150 1.00 0.00 H new ATOM 0 HA GLU C 40 79.951 9.682 -4.809 1.00 0.00 H new ATOM 0 HB2 GLU C 40 80.094 7.315 -6.520 1.00 0.00 H new ATOM 0 HB3 GLU C 40 80.021 6.834 -4.836 1.00 0.00 H new ATOM 0 HG2 GLU C 40 77.745 7.132 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU C 40 78.133 8.804 -4.789 1.00 0.00 H new ATOM 616 N LEU C 41 82.742 8.016 -4.347 1.00 0.00 N ATOM 617 CA LEU C 41 83.726 7.623 -3.341 1.00 0.00 C ATOM 618 C LEU C 41 84.347 8.852 -2.684 1.00 0.00 C ATOM 619 O LEU C 41 84.305 9.010 -1.463 1.00 0.00 O ATOM 620 CB LEU C 41 84.835 6.786 -3.979 1.00 0.00 C ATOM 621 CG LEU C 41 85.877 6.425 -2.920 1.00 0.00 C ATOM 622 CD1 LEU C 41 85.228 5.557 -1.840 1.00 0.00 C ATOM 623 CD2 LEU C 41 87.021 5.649 -3.575 1.00 0.00 C ATOM 0 H LEU C 41 83.036 7.868 -5.312 1.00 0.00 H new ATOM 0 HA LEU C 41 83.211 7.032 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU C 41 84.415 5.879 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU C 41 85.304 7.343 -4.790 1.00 0.00 H new ATOM 0 HG LEU C 41 86.266 7.337 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU C 41 85.971 5.300 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU C 41 84.411 6.108 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU C 41 84.839 4.645 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU C 41 87.764 5.391 -2.821 1.00 0.00 H new ATOM 0 HD22 LEU C 41 86.630 4.737 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU C 41 87.484 6.265 -4.345 1.00 0.00 H new ATOM 635 N GLY C 42 84.929 9.720 -3.507 1.00 0.00 N ATOM 636 CA GLY C 42 85.562 10.933 -2.997 1.00 0.00 C ATOM 637 C GLY C 42 84.716 11.571 -1.900 1.00 0.00 C ATOM 638 O GLY C 42 85.237 12.213 -0.988 1.00 0.00 O ATOM 0 H GLY C 42 84.976 9.608 -4.520 1.00 0.00 H new ATOM 0 HA2 GLY C 42 86.551 10.695 -2.606 1.00 0.00 H new ATOM 0 HA3 GLY C 42 85.704 11.643 -3.811 1.00 0.00 H new ATOM 642 N LYS C 43 83.402 11.393 -2.001 1.00 0.00 N ATOM 643 CA LYS C 43 82.488 11.961 -1.014 1.00 0.00 C ATOM 644 C LYS C 43 82.756 11.376 0.369 1.00 0.00 C ATOM 645 O LYS C 43 82.764 12.092 1.370 1.00 0.00 O ATOM 646 CB LYS C 43 81.035 11.677 -1.402 1.00 0.00 C ATOM 647 CG LYS C 43 80.163 12.879 -1.032 1.00 0.00 C ATOM 648 CD LYS C 43 79.340 13.309 -2.249 1.00 0.00 C ATOM 649 CE LYS C 43 79.504 14.814 -2.473 1.00 0.00 C ATOM 650 NZ LYS C 43 78.202 15.398 -2.904 1.00 0.00 N ATOM 0 H LYS C 43 82.949 10.866 -2.748 1.00 0.00 H new ATOM 0 HA LYS C 43 82.654 13.038 -0.988 1.00 0.00 H new ATOM 0 HB2 LYS C 43 80.965 11.479 -2.472 1.00 0.00 H new ATOM 0 HB3 LYS C 43 80.678 10.784 -0.889 1.00 0.00 H new ATOM 0 HG2 LYS C 43 79.501 12.620 -0.205 1.00 0.00 H new ATOM 0 HG3 LYS C 43 80.789 13.705 -0.693 1.00 0.00 H new ATOM 0 HD2 LYS C 43 79.666 12.762 -3.133 1.00 0.00 H new ATOM 0 HD3 LYS C 43 78.289 13.066 -2.094 1.00 0.00 H new ATOM 0 HE2 LYS C 43 79.844 15.294 -1.555 1.00 0.00 H new ATOM 0 HE3 LYS C 43 80.266 14.999 -3.230 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 78.314 16.421 -3.056 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 77.896 14.948 -3.790 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 77.487 15.234 -2.167 1.00 0.00 H new ATOM 664 N VAL C 44 82.973 10.064 0.413 1.00 0.00 N ATOM 665 CA VAL C 44 83.238 9.386 1.681 1.00 0.00 C ATOM 666 C VAL C 44 84.628 9.748 2.201 1.00 0.00 C ATOM 667 O VAL C 44 84.796 10.127 3.360 1.00 0.00 O ATOM 668 CB VAL C 44 83.116 7.860 1.505 1.00 0.00 C ATOM 669 CG1 VAL C 44 84.462 7.240 1.105 1.00 0.00 C ATOM 670 CG2 VAL C 44 82.641 7.236 2.820 1.00 0.00 C ATOM 0 H VAL C 44 82.971 9.454 -0.404 1.00 0.00 H new ATOM 0 HA VAL C 44 82.499 9.716 2.411 1.00 0.00 H new ATOM 0 HB VAL C 44 82.396 7.661 0.711 1.00 0.00 H new ATOM 0 HG11 VAL C 44 84.346 6.163 0.988 1.00 0.00 H new ATOM 0 HG12 VAL C 44 84.797 7.674 0.163 1.00 0.00 H new ATOM 0 HG13 VAL C 44 85.201 7.443 1.880 1.00 0.00 H new ATOM 0 HG21 VAL C 44 82.553 6.156 2.700 1.00 0.00 H new ATOM 0 HG22 VAL C 44 83.361 7.456 3.608 1.00 0.00 H new ATOM 0 HG23 VAL C 44 81.670 7.651 3.090 1.00 0.00 H new ATOM 680 N MET C 45 85.621 9.621 1.327 1.00 0.00 N ATOM 681 CA MET C 45 86.999 9.932 1.701 1.00 0.00 C ATOM 682 C MET C 45 87.092 11.340 2.282 1.00 0.00 C ATOM 683 O MET C 45 87.660 11.545 3.354 1.00 0.00 O ATOM 684 CB MET C 45 87.926 9.825 0.489 1.00 0.00 C ATOM 685 CG MET C 45 87.707 8.480 -0.211 1.00 0.00 C ATOM 686 SD MET C 45 87.726 7.141 1.009 1.00 0.00 S ATOM 687 CE MET C 45 89.418 7.383 1.604 1.00 0.00 C ATOM 0 H MET C 45 85.501 9.308 0.364 1.00 0.00 H new ATOM 0 HA MET C 45 87.311 9.209 2.455 1.00 0.00 H new ATOM 0 HB2 MET C 45 87.730 10.643 -0.204 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.965 9.917 0.805 1.00 0.00 H new ATOM 0 HG2 MET C 45 86.755 8.487 -0.742 1.00 0.00 H new ATOM 0 HG3 MET C 45 88.486 8.316 -0.956 1.00 0.00 H new ATOM 0 HE1 MET C 45 89.760 6.478 2.107 1.00 0.00 H new ATOM 0 HE2 MET C 45 90.073 7.598 0.760 1.00 0.00 H new ATOM 0 HE3 MET C 45 89.442 8.218 2.304 1.00 0.00 H new ATOM 697 N ARG C 46 86.526 12.308 1.565 1.00 0.00 N ATOM 698 CA ARG C 46 86.551 13.693 2.028 1.00 0.00 C ATOM 699 C ARG C 46 85.972 13.788 3.436 1.00 0.00 C ATOM 700 O ARG C 46 86.260 14.724 4.182 1.00 0.00 O ATOM 701 CB ARG C 46 85.737 14.592 1.093 1.00 0.00 C ATOM 702 CG ARG C 46 84.266 14.172 1.134 1.00 0.00 C ATOM 703 CD ARG C 46 83.378 15.386 0.858 1.00 0.00 C ATOM 704 NE ARG C 46 83.773 16.042 -0.385 1.00 0.00 N ATOM 705 CZ ARG C 46 82.930 16.837 -1.039 1.00 0.00 C ATOM 706 NH1 ARG C 46 81.733 17.052 -0.565 1.00 0.00 N ATOM 707 NH2 ARG C 46 83.301 17.406 -2.153 1.00 0.00 N ATOM 0 H ARG C 46 86.051 12.163 0.674 1.00 0.00 H new ATOM 0 HA ARG C 46 87.589 14.027 2.033 1.00 0.00 H new ATOM 0 HB2 ARG C 46 85.837 15.634 1.395 1.00 0.00 H new ATOM 0 HB3 ARG C 46 86.119 14.517 0.075 1.00 0.00 H new ATOM 0 HG2 ARG C 46 84.078 13.395 0.393 1.00 0.00 H new ATOM 0 HG3 ARG C 46 84.026 13.747 2.109 1.00 0.00 H new ATOM 0 HD2 ARG C 46 82.336 15.074 0.795 1.00 0.00 H new ATOM 0 HD3 ARG C 46 83.450 16.091 1.686 1.00 0.00 H new ATOM 0 HE ARG C 46 84.710 15.888 -0.758 1.00 0.00 H new ATOM 0 HH11 ARG C 46 81.443 16.610 0.308 1.00 0.00 H new ATOM 0 HH12 ARG C 46 81.088 17.662 -1.067 1.00 0.00 H new ATOM 0 HH21 ARG C 46 84.237 17.241 -2.523 1.00 0.00 H new ATOM 0 HH22 ARG C 46 82.655 18.015 -2.654 1.00 0.00 H new ATOM 721 N MET C 47 85.146 12.805 3.789 1.00 0.00 N ATOM 722 CA MET C 47 84.522 12.781 5.110 1.00 0.00 C ATOM 723 C MET C 47 85.444 12.116 6.129 1.00 0.00 C ATOM 724 O MET C 47 85.309 12.322 7.335 1.00 0.00 O ATOM 725 CB MET C 47 83.201 12.010 5.064 1.00 0.00 C ATOM 726 CG MET C 47 82.196 12.758 4.187 1.00 0.00 C ATOM 727 SD MET C 47 80.675 13.054 5.125 1.00 0.00 S ATOM 728 CE MET C 47 80.469 11.377 5.774 1.00 0.00 C ATOM 0 H MET C 47 84.895 12.022 3.185 1.00 0.00 H new ATOM 0 HA MET C 47 84.335 13.813 5.408 1.00 0.00 H new ATOM 0 HB2 MET C 47 83.368 11.008 4.669 1.00 0.00 H new ATOM 0 HB3 MET C 47 82.802 11.893 6.072 1.00 0.00 H new ATOM 0 HG2 MET C 47 82.621 13.705 3.856 1.00 0.00 H new ATOM 0 HG3 MET C 47 81.976 12.177 3.292 1.00 0.00 H new ATOM 0 HE1 MET C 47 79.407 11.137 5.831 1.00 0.00 H new ATOM 0 HE2 MET C 47 80.967 10.667 5.113 1.00 0.00 H new ATOM 0 HE3 MET C 47 80.909 11.316 6.769 1.00 0.00 H new ATOM 738 N LEU C 48 86.377 11.309 5.631 1.00 0.00 N ATOM 739 CA LEU C 48 87.312 10.611 6.511 1.00 0.00 C ATOM 740 C LEU C 48 88.468 11.526 6.905 1.00 0.00 C ATOM 741 O LEU C 48 88.565 11.965 8.050 1.00 0.00 O ATOM 742 CB LEU C 48 87.870 9.364 5.820 1.00 0.00 C ATOM 743 CG LEU C 48 86.758 8.683 5.017 1.00 0.00 C ATOM 744 CD1 LEU C 48 87.206 7.276 4.617 1.00 0.00 C ATOM 745 CD2 LEU C 48 85.490 8.589 5.870 1.00 0.00 C ATOM 0 H LEU C 48 86.506 11.123 4.636 1.00 0.00 H new ATOM 0 HA LEU C 48 86.768 10.315 7.408 1.00 0.00 H new ATOM 0 HB2 LEU C 48 88.693 9.639 5.160 1.00 0.00 H new ATOM 0 HB3 LEU C 48 88.272 8.674 6.562 1.00 0.00 H new ATOM 0 HG LEU C 48 86.550 9.269 4.122 1.00 0.00 H new ATOM 0 HD11 LEU C 48 86.415 6.791 4.045 1.00 0.00 H new ATOM 0 HD12 LEU C 48 88.107 7.341 4.007 1.00 0.00 H new ATOM 0 HD13 LEU C 48 87.416 6.692 5.513 1.00 0.00 H new ATOM 0 HD21 LEU C 48 84.700 8.104 5.296 1.00 0.00 H new ATOM 0 HD22 LEU C 48 85.697 8.005 6.767 1.00 0.00 H new ATOM 0 HD23 LEU C 48 85.168 9.591 6.155 1.00 0.00 H new ATOM 757 N GLY C 49 89.343 11.809 5.944 1.00 0.00 N ATOM 758 CA GLY C 49 90.489 12.675 6.206 1.00 0.00 C ATOM 759 C GLY C 49 91.374 12.796 4.971 1.00 0.00 C ATOM 760 O GLY C 49 92.596 12.894 5.073 1.00 0.00 O ATOM 0 H GLY C 49 89.283 11.457 4.989 1.00 0.00 H new ATOM 0 HA2 GLY C 49 90.142 13.663 6.507 1.00 0.00 H new ATOM 0 HA3 GLY C 49 91.070 12.274 7.037 1.00 0.00 H new ATOM 764 N GLN C 50 90.743 12.790 3.801 1.00 0.00 N ATOM 765 CA GLN C 50 91.484 12.902 2.547 1.00 0.00 C ATOM 766 C GLN C 50 90.620 13.560 1.477 1.00 0.00 C ATOM 767 O GLN C 50 89.432 13.267 1.350 1.00 0.00 O ATOM 768 CB GLN C 50 91.922 11.519 2.058 1.00 0.00 C ATOM 769 CG GLN C 50 93.185 11.088 2.807 1.00 0.00 C ATOM 770 CD GLN C 50 93.573 9.674 2.386 1.00 0.00 C ATOM 771 OE1 GLN C 50 93.686 8.780 3.225 1.00 0.00 O ATOM 772 NE2 GLN C 50 93.787 9.416 1.125 1.00 0.00 N ATOM 0 H GLN C 50 89.732 12.710 3.694 1.00 0.00 H new ATOM 0 HA GLN C 50 92.366 13.516 2.729 1.00 0.00 H new ATOM 0 HB2 GLN C 50 91.124 10.794 2.222 1.00 0.00 H new ATOM 0 HB3 GLN C 50 92.114 11.545 0.985 1.00 0.00 H new ATOM 0 HG2 GLN C 50 94.001 11.779 2.593 1.00 0.00 H new ATOM 0 HG3 GLN C 50 93.012 11.123 3.883 1.00 0.00 H new ATOM 0 HE21 GLN C 50 93.693 10.157 0.430 1.00 0.00 H new ATOM 0 HE22 GLN C 50 94.048 8.474 0.834 1.00 0.00 H new ATOM 781 N ASN C 51 91.233 14.456 0.707 1.00 0.00 N ATOM 782 CA ASN C 51 90.512 15.156 -0.353 1.00 0.00 C ATOM 783 C ASN C 51 91.074 14.781 -1.720 1.00 0.00 C ATOM 784 O ASN C 51 91.883 15.508 -2.295 1.00 0.00 O ATOM 785 CB ASN C 51 90.621 16.670 -0.171 1.00 0.00 C ATOM 786 CG ASN C 51 89.879 17.370 -1.305 1.00 0.00 C ATOM 787 OD1 ASN C 51 90.322 18.405 -1.802 1.00 0.00 O ATOM 788 ND2 ASN C 51 88.764 16.858 -1.751 1.00 0.00 N ATOM 0 H ASN C 51 92.216 14.712 0.795 1.00 0.00 H new ATOM 0 HA ASN C 51 89.465 14.859 -0.295 1.00 0.00 H new ATOM 0 HB2 ASN C 51 90.199 16.963 0.790 1.00 0.00 H new ATOM 0 HB3 ASN C 51 91.668 16.972 -0.165 1.00 0.00 H new ATOM 0 HD21 ASN C 51 88.261 17.316 -2.511 1.00 0.00 H new ATOM 0 HD22 ASN C 51 88.396 16.000 -1.340 1.00 0.00 H new ATOM 795 N PRO C 52 90.641 13.641 -2.248 1.00 0.00 N ATOM 796 CA PRO C 52 91.091 13.152 -3.562 1.00 0.00 C ATOM 797 C PRO C 52 90.333 13.802 -4.718 1.00 0.00 C ATOM 798 O PRO C 52 89.605 14.777 -4.532 1.00 0.00 O ATOM 799 CB PRO C 52 90.775 11.665 -3.474 1.00 0.00 C ATOM 800 CG PRO C 52 89.671 11.503 -2.434 1.00 0.00 C ATOM 801 CD PRO C 52 89.673 12.765 -1.564 1.00 0.00 C ATOM 0 HA PRO C 52 92.138 13.379 -3.763 1.00 0.00 H new ATOM 0 HB2 PRO C 52 90.452 11.282 -4.442 1.00 0.00 H new ATOM 0 HB3 PRO C 52 91.661 11.099 -3.187 1.00 0.00 H new ATOM 0 HG2 PRO C 52 88.703 11.372 -2.918 1.00 0.00 H new ATOM 0 HG3 PRO C 52 89.845 10.616 -1.825 1.00 0.00 H new ATOM 0 HD2 PRO C 52 88.684 13.220 -1.512 1.00 0.00 H new ATOM 0 HD3 PRO C 52 89.979 12.548 -0.540 1.00 0.00 H new ATOM 809 N THR C 53 90.513 13.251 -5.914 1.00 0.00 N ATOM 810 CA THR C 53 89.843 13.785 -7.095 1.00 0.00 C ATOM 811 C THR C 53 89.120 12.670 -7.843 1.00 0.00 C ATOM 812 O THR C 53 89.264 11.491 -7.519 1.00 0.00 O ATOM 813 CB THR C 53 90.858 14.441 -8.033 1.00 0.00 C ATOM 814 OG1 THR C 53 92.172 14.183 -7.559 1.00 0.00 O ATOM 815 CG2 THR C 53 90.616 15.950 -8.076 1.00 0.00 C ATOM 0 H THR C 53 91.111 12.443 -6.091 1.00 0.00 H new ATOM 0 HA THR C 53 89.119 14.531 -6.767 1.00 0.00 H new ATOM 0 HB THR C 53 90.745 14.030 -9.036 1.00 0.00 H new ATOM 0 HG1 THR C 53 92.824 14.601 -8.159 1.00 0.00 H new ATOM 0 HG21 THR C 53 91.340 16.416 -8.745 1.00 0.00 H new ATOM 0 HG22 THR C 53 89.607 16.147 -8.440 1.00 0.00 H new ATOM 0 HG23 THR C 53 90.728 16.365 -7.074 1.00 0.00 H new ATOM 823 N PRO C 54 88.339 13.038 -8.853 1.00 0.00 N ATOM 824 CA PRO C 54 87.584 12.067 -9.664 1.00 0.00 C ATOM 825 C PRO C 54 88.459 11.384 -10.711 1.00 0.00 C ATOM 826 O PRO C 54 88.143 10.297 -11.195 1.00 0.00 O ATOM 827 CB PRO C 54 86.530 12.947 -10.323 1.00 0.00 C ATOM 828 CG PRO C 54 87.085 14.367 -10.338 1.00 0.00 C ATOM 829 CD PRO C 54 88.163 14.446 -9.252 1.00 0.00 C ATOM 0 HA PRO C 54 87.175 11.247 -9.074 1.00 0.00 H new ATOM 0 HB2 PRO C 54 86.319 12.604 -11.336 1.00 0.00 H new ATOM 0 HB3 PRO C 54 85.591 12.905 -9.770 1.00 0.00 H new ATOM 0 HG2 PRO C 54 87.506 14.605 -11.315 1.00 0.00 H new ATOM 0 HG3 PRO C 54 86.293 15.091 -10.147 1.00 0.00 H new ATOM 0 HD2 PRO C 54 89.089 14.876 -9.634 1.00 0.00 H new ATOM 0 HD3 PRO C 54 87.846 15.066 -8.413 1.00 0.00 H new ATOM 837 N GLU C 55 89.570 12.035 -11.045 1.00 0.00 N ATOM 838 CA GLU C 55 90.500 11.485 -12.026 1.00 0.00 C ATOM 839 C GLU C 55 91.490 10.551 -11.338 1.00 0.00 C ATOM 840 O GLU C 55 92.059 9.655 -11.962 1.00 0.00 O ATOM 841 CB GLU C 55 91.272 12.607 -12.723 1.00 0.00 C ATOM 842 CG GLU C 55 90.286 13.587 -13.360 1.00 0.00 C ATOM 843 CD GLU C 55 90.732 13.903 -14.783 1.00 0.00 C ATOM 844 OE1 GLU C 55 91.927 13.881 -15.027 1.00 0.00 O ATOM 845 OE2 GLU C 55 89.872 14.162 -15.609 1.00 0.00 O ATOM 0 H GLU C 55 89.846 12.936 -10.655 1.00 0.00 H new ATOM 0 HA GLU C 55 89.926 10.931 -12.769 1.00 0.00 H new ATOM 0 HB2 GLU C 55 91.905 13.128 -12.005 1.00 0.00 H new ATOM 0 HB3 GLU C 55 91.930 12.190 -13.485 1.00 0.00 H new ATOM 0 HG2 GLU C 55 89.284 13.158 -13.368 1.00 0.00 H new ATOM 0 HG3 GLU C 55 90.235 14.503 -12.771 1.00 0.00 H new ATOM 852 N GLU C 56 91.686 10.774 -10.041 1.00 0.00 N ATOM 853 CA GLU C 56 92.608 9.952 -9.263 1.00 0.00 C ATOM 854 C GLU C 56 91.872 8.757 -8.664 1.00 0.00 C ATOM 855 O GLU C 56 92.357 7.626 -8.706 1.00 0.00 O ATOM 856 CB GLU C 56 93.235 10.774 -8.134 1.00 0.00 C ATOM 857 CG GLU C 56 94.731 10.949 -8.399 1.00 0.00 C ATOM 858 CD GLU C 56 95.330 11.870 -7.342 1.00 0.00 C ATOM 859 OE1 GLU C 56 95.260 11.524 -6.174 1.00 0.00 O ATOM 860 OE2 GLU C 56 95.850 12.909 -7.716 1.00 0.00 O ATOM 0 H GLU C 56 91.223 11.511 -9.510 1.00 0.00 H new ATOM 0 HA GLU C 56 93.394 9.598 -9.930 1.00 0.00 H new ATOM 0 HB2 GLU C 56 92.751 11.748 -8.067 1.00 0.00 H new ATOM 0 HB3 GLU C 56 93.080 10.275 -7.177 1.00 0.00 H new ATOM 0 HG2 GLU C 56 95.231 9.980 -8.378 1.00 0.00 H new ATOM 0 HG3 GLU C 56 94.889 11.368 -9.393 1.00 0.00 H new ATOM 867 N LEU C 57 90.692 9.022 -8.111 1.00 0.00 N ATOM 868 CA LEU C 57 89.887 7.962 -7.508 1.00 0.00 C ATOM 869 C LEU C 57 89.619 6.859 -8.526 1.00 0.00 C ATOM 870 O LEU C 57 89.709 5.672 -8.216 1.00 0.00 O ATOM 871 CB LEU C 57 88.547 8.518 -7.024 1.00 0.00 C ATOM 872 CG LEU C 57 88.703 9.072 -5.608 1.00 0.00 C ATOM 873 CD1 LEU C 57 87.492 9.944 -5.269 1.00 0.00 C ATOM 874 CD2 LEU C 57 88.791 7.911 -4.614 1.00 0.00 C ATOM 0 H LEU C 57 90.274 9.951 -8.067 1.00 0.00 H new ATOM 0 HA LEU C 57 90.442 7.557 -6.662 1.00 0.00 H new ATOM 0 HB2 LEU C 57 88.203 9.304 -7.697 1.00 0.00 H new ATOM 0 HB3 LEU C 57 87.790 7.734 -7.037 1.00 0.00 H new ATOM 0 HG LEU C 57 89.612 9.671 -5.548 1.00 0.00 H new ATOM 0 HD11 LEU C 57 87.600 10.341 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU C 57 87.428 10.769 -5.978 1.00 0.00 H new ATOM 0 HD13 LEU C 57 86.584 9.344 -5.328 1.00 0.00 H new ATOM 0 HD21 LEU C 57 88.902 8.305 -3.604 1.00 0.00 H new ATOM 0 HD22 LEU C 57 87.882 7.313 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU C 57 89.652 7.288 -4.857 1.00 0.00 H new ATOM 886 N GLN C 58 89.288 7.270 -9.747 1.00 0.00 N ATOM 887 CA GLN C 58 89.006 6.313 -10.814 1.00 0.00 C ATOM 888 C GLN C 58 90.014 5.167 -10.784 1.00 0.00 C ATOM 889 O GLN C 58 89.696 4.033 -11.141 1.00 0.00 O ATOM 890 CB GLN C 58 89.077 7.001 -12.180 1.00 0.00 C ATOM 891 CG GLN C 58 88.867 5.967 -13.289 1.00 0.00 C ATOM 892 CD GLN C 58 87.379 5.662 -13.425 1.00 0.00 C ATOM 893 OE1 GLN C 58 86.640 6.417 -14.056 1.00 0.00 O ATOM 894 NE2 GLN C 58 86.891 4.589 -12.865 1.00 0.00 N ATOM 0 H GLN C 58 89.209 8.249 -10.021 1.00 0.00 H new ATOM 0 HA GLN C 58 88.002 5.918 -10.656 1.00 0.00 H new ATOM 0 HB2 GLN C 58 88.317 7.779 -12.246 1.00 0.00 H new ATOM 0 HB3 GLN C 58 90.044 7.489 -12.303 1.00 0.00 H new ATOM 0 HG2 GLN C 58 89.259 6.346 -14.233 1.00 0.00 H new ATOM 0 HG3 GLN C 58 89.417 5.054 -13.059 1.00 0.00 H new ATOM 0 HE21 GLN C 58 87.503 3.963 -12.342 1.00 0.00 H new ATOM 0 HE22 GLN C 58 85.897 4.376 -12.950 1.00 0.00 H new ATOM 903 N GLU C 59 91.235 5.480 -10.358 1.00 0.00 N ATOM 904 CA GLU C 59 92.292 4.473 -10.287 1.00 0.00 C ATOM 905 C GLU C 59 91.895 3.337 -9.346 1.00 0.00 C ATOM 906 O GLU C 59 92.365 2.208 -9.481 1.00 0.00 O ATOM 907 CB GLU C 59 93.594 5.102 -9.787 1.00 0.00 C ATOM 908 CG GLU C 59 94.759 4.149 -10.061 1.00 0.00 C ATOM 909 CD GLU C 59 95.177 4.263 -11.523 1.00 0.00 C ATOM 910 OE1 GLU C 59 94.762 5.214 -12.166 1.00 0.00 O ATOM 911 OE2 GLU C 59 95.905 3.397 -11.979 1.00 0.00 O ATOM 0 H GLU C 59 91.516 6.414 -10.059 1.00 0.00 H new ATOM 0 HA GLU C 59 92.440 4.073 -11.290 1.00 0.00 H new ATOM 0 HB2 GLU C 59 93.765 6.056 -10.287 1.00 0.00 H new ATOM 0 HB3 GLU C 59 93.523 5.310 -8.719 1.00 0.00 H new ATOM 0 HG2 GLU C 59 95.600 4.390 -9.411 1.00 0.00 H new ATOM 0 HG3 GLU C 59 94.465 3.124 -9.835 1.00 0.00 H new ATOM 918 N MET C 60 91.026 3.651 -8.391 1.00 0.00 N ATOM 919 CA MET C 60 90.571 2.652 -7.428 1.00 0.00 C ATOM 920 C MET C 60 89.581 1.691 -8.082 1.00 0.00 C ATOM 921 O MET C 60 89.862 0.505 -8.255 1.00 0.00 O ATOM 922 CB MET C 60 89.889 3.329 -6.235 1.00 0.00 C ATOM 923 CG MET C 60 90.947 3.830 -5.251 1.00 0.00 C ATOM 924 SD MET C 60 90.360 5.349 -4.459 1.00 0.00 S ATOM 925 CE MET C 60 90.949 4.982 -2.787 1.00 0.00 C ATOM 0 H MET C 60 90.625 4.580 -8.263 1.00 0.00 H new ATOM 0 HA MET C 60 91.444 2.098 -7.083 1.00 0.00 H new ATOM 0 HB2 MET C 60 89.276 4.162 -6.579 1.00 0.00 H new ATOM 0 HB3 MET C 60 89.221 2.625 -5.738 1.00 0.00 H new ATOM 0 HG2 MET C 60 91.149 3.068 -4.498 1.00 0.00 H new ATOM 0 HG3 MET C 60 91.885 4.018 -5.773 1.00 0.00 H new ATOM 0 HE1 MET C 60 90.688 5.804 -2.121 1.00 0.00 H new ATOM 0 HE2 MET C 60 90.482 4.064 -2.430 1.00 0.00 H new ATOM 0 HE3 MET C 60 92.032 4.857 -2.802 1.00 0.00 H new ATOM 935 N ILE C 61 88.416 2.221 -8.441 1.00 0.00 N ATOM 936 CA ILE C 61 87.376 1.412 -9.075 1.00 0.00 C ATOM 937 C ILE C 61 87.996 0.440 -10.080 1.00 0.00 C ATOM 938 O ILE C 61 87.567 -0.707 -10.202 1.00 0.00 O ATOM 939 CB ILE C 61 86.358 2.322 -9.786 1.00 0.00 C ATOM 940 CG1 ILE C 61 85.347 2.862 -8.767 1.00 0.00 C ATOM 941 CG2 ILE C 61 85.602 1.536 -10.863 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.070 3.309 -7.494 1.00 0.00 C ATOM 0 H ILE C 61 88.167 3.201 -8.306 1.00 0.00 H new ATOM 0 HA ILE C 61 86.863 0.839 -8.303 1.00 0.00 H new ATOM 0 HB ILE C 61 86.897 3.147 -10.251 1.00 0.00 H new ATOM 0 HG12 ILE C 61 84.799 3.700 -9.196 1.00 0.00 H new ATOM 0 HG13 ILE C 61 84.614 2.092 -8.527 1.00 0.00 H new ATOM 0 HG21 ILE C 61 84.886 2.192 -11.357 1.00 0.00 H new ATOM 0 HG22 ILE C 61 86.310 1.153 -11.598 1.00 0.00 H new ATOM 0 HG23 ILE C 61 85.072 0.703 -10.401 1.00 0.00 H new ATOM 0 HD11 ILE C 61 85.343 3.691 -6.777 1.00 0.00 H new ATOM 0 HD12 ILE C 61 86.598 2.461 -7.058 1.00 0.00 H new ATOM 0 HD13 ILE C 61 86.785 4.095 -7.738 1.00 0.00 H new ATOM 954 N ASP C 62 89.005 0.917 -10.803 1.00 0.00 N ATOM 955 CA ASP C 62 89.675 0.087 -11.803 1.00 0.00 C ATOM 956 C ASP C 62 89.942 -1.313 -11.259 1.00 0.00 C ATOM 957 O ASP C 62 89.648 -2.314 -11.912 1.00 0.00 O ATOM 958 CB ASP C 62 91.006 0.718 -12.219 1.00 0.00 C ATOM 959 CG ASP C 62 90.893 1.255 -13.641 1.00 0.00 C ATOM 960 OD1 ASP C 62 89.976 2.019 -13.894 1.00 0.00 O ATOM 961 OD2 ASP C 62 91.725 0.894 -14.457 1.00 0.00 O ATOM 0 H ASP C 62 89.375 1.864 -10.718 1.00 0.00 H new ATOM 0 HA ASP C 62 89.015 0.017 -12.668 1.00 0.00 H new ATOM 0 HB2 ASP C 62 91.268 1.525 -11.534 1.00 0.00 H new ATOM 0 HB3 ASP C 62 91.805 -0.021 -12.161 1.00 0.00 H new ATOM 966 N GLU C 63 90.504 -1.373 -10.057 1.00 0.00 N ATOM 967 CA GLU C 63 90.809 -2.660 -9.436 1.00 0.00 C ATOM 968 C GLU C 63 89.556 -3.521 -9.362 1.00 0.00 C ATOM 969 O GLU C 63 89.502 -4.623 -9.907 1.00 0.00 O ATOM 970 CB GLU C 63 91.351 -2.465 -8.018 1.00 0.00 C ATOM 971 CG GLU C 63 92.257 -1.236 -7.976 1.00 0.00 C ATOM 972 CD GLU C 63 93.584 -1.604 -7.320 1.00 0.00 C ATOM 973 OE1 GLU C 63 93.593 -2.533 -6.529 1.00 0.00 O ATOM 974 OE2 GLU C 63 94.572 -0.954 -7.621 1.00 0.00 O ATOM 0 H GLU C 63 90.756 -0.558 -9.498 1.00 0.00 H new ATOM 0 HA GLU C 63 91.564 -3.153 -10.049 1.00 0.00 H new ATOM 0 HB2 GLU C 63 90.526 -2.344 -7.317 1.00 0.00 H new ATOM 0 HB3 GLU C 63 91.907 -3.349 -7.706 1.00 0.00 H new ATOM 0 HG2 GLU C 63 92.429 -0.864 -8.986 1.00 0.00 H new ATOM 0 HG3 GLU C 63 91.774 -0.434 -7.418 1.00 0.00 H new ATOM 981 N VAL C 64 88.550 -2.999 -8.671 1.00 0.00 N ATOM 982 CA VAL C 64 87.290 -3.713 -8.508 1.00 0.00 C ATOM 983 C VAL C 64 86.520 -3.767 -9.823 1.00 0.00 C ATOM 984 O VAL C 64 85.508 -4.459 -9.935 1.00 0.00 O ATOM 985 CB VAL C 64 86.433 -3.016 -7.456 1.00 0.00 C ATOM 986 CG1 VAL C 64 87.129 -3.106 -6.099 1.00 0.00 C ATOM 987 CG2 VAL C 64 86.262 -1.546 -7.839 1.00 0.00 C ATOM 0 H VAL C 64 88.582 -2.087 -8.216 1.00 0.00 H new ATOM 0 HA VAL C 64 87.516 -4.731 -8.190 1.00 0.00 H new ATOM 0 HB VAL C 64 85.456 -3.497 -7.400 1.00 0.00 H new ATOM 0 HG11 VAL C 64 86.520 -2.609 -5.344 1.00 0.00 H new ATOM 0 HG12 VAL C 64 87.261 -4.153 -5.827 1.00 0.00 H new ATOM 0 HG13 VAL C 64 88.103 -2.620 -6.157 1.00 0.00 H new ATOM 0 HG21 VAL C 64 85.650 -1.044 -7.090 1.00 0.00 H new ATOM 0 HG22 VAL C 64 87.240 -1.067 -7.889 1.00 0.00 H new ATOM 0 HG23 VAL C 64 85.774 -1.478 -8.811 1.00 0.00 H new ATOM 997 N ASP C 65 87.005 -3.031 -10.820 1.00 0.00 N ATOM 998 CA ASP C 65 86.343 -3.013 -12.119 1.00 0.00 C ATOM 999 C ASP C 65 86.965 -4.049 -13.047 1.00 0.00 C ATOM 1000 O ASP C 65 87.355 -3.741 -14.173 1.00 0.00 O ATOM 1001 CB ASP C 65 86.460 -1.631 -12.762 1.00 0.00 C ATOM 1002 CG ASP C 65 85.120 -0.910 -12.662 1.00 0.00 C ATOM 1003 OD1 ASP C 65 84.392 -1.183 -11.721 1.00 0.00 O ATOM 1004 OD2 ASP C 65 84.841 -0.096 -13.526 1.00 0.00 O ATOM 0 H ASP C 65 87.840 -2.449 -10.755 1.00 0.00 H new ATOM 0 HA ASP C 65 85.291 -3.250 -11.963 1.00 0.00 H new ATOM 0 HB2 ASP C 65 87.236 -1.050 -12.263 1.00 0.00 H new ATOM 0 HB3 ASP C 65 86.756 -1.728 -13.807 1.00 0.00 H new ATOM 1009 N GLU C 66 87.045 -5.285 -12.563 1.00 0.00 N ATOM 1010 CA GLU C 66 87.614 -6.366 -13.361 1.00 0.00 C ATOM 1011 C GLU C 66 86.588 -6.858 -14.375 1.00 0.00 C ATOM 1012 O GLU C 66 86.934 -7.450 -15.398 1.00 0.00 O ATOM 1013 CB GLU C 66 88.039 -7.532 -12.466 1.00 0.00 C ATOM 1014 CG GLU C 66 89.567 -7.615 -12.427 1.00 0.00 C ATOM 1015 CD GLU C 66 90.071 -8.325 -13.678 1.00 0.00 C ATOM 1016 OE1 GLU C 66 89.380 -8.276 -14.682 1.00 0.00 O ATOM 1017 OE2 GLU C 66 91.142 -8.906 -13.615 1.00 0.00 O ATOM 0 H GLU C 66 86.727 -5.561 -11.634 1.00 0.00 H new ATOM 0 HA GLU C 66 88.491 -5.982 -13.882 1.00 0.00 H new ATOM 0 HB2 GLU C 66 87.646 -7.393 -11.459 1.00 0.00 H new ATOM 0 HB3 GLU C 66 87.623 -8.466 -12.845 1.00 0.00 H new ATOM 0 HG2 GLU C 66 89.995 -6.614 -12.367 1.00 0.00 H new ATOM 0 HG3 GLU C 66 89.890 -8.153 -11.536 1.00 0.00 H new ATOM 1024 N ASP C 67 85.318 -6.595 -14.079 1.00 0.00 N ATOM 1025 CA ASP C 67 84.234 -7.000 -14.968 1.00 0.00 C ATOM 1026 C ASP C 67 83.741 -5.807 -15.784 1.00 0.00 C ATOM 1027 O ASP C 67 82.785 -5.915 -16.553 1.00 0.00 O ATOM 1028 CB ASP C 67 83.064 -7.571 -14.164 1.00 0.00 C ATOM 1029 CG ASP C 67 82.716 -6.621 -13.023 1.00 0.00 C ATOM 1030 OD1 ASP C 67 83.152 -5.483 -13.072 1.00 0.00 O ATOM 1031 OD2 ASP C 67 82.018 -7.046 -12.117 1.00 0.00 O ATOM 0 H ASP C 67 85.016 -6.107 -13.236 1.00 0.00 H new ATOM 0 HA ASP C 67 84.620 -7.767 -15.640 1.00 0.00 H new ATOM 0 HB2 ASP C 67 82.198 -7.710 -14.811 1.00 0.00 H new ATOM 0 HB3 ASP C 67 83.326 -8.552 -13.767 1.00 0.00 H new ATOM 1036 N GLY C 68 84.405 -4.664 -15.607 1.00 0.00 N ATOM 1037 CA GLY C 68 84.028 -3.453 -16.331 1.00 0.00 C ATOM 1038 C GLY C 68 82.624 -3.005 -15.942 1.00 0.00 C ATOM 1039 O GLY C 68 81.858 -2.522 -16.775 1.00 0.00 O ATOM 0 H GLY C 68 85.198 -4.553 -14.975 1.00 0.00 H new ATOM 0 HA2 GLY C 68 84.741 -2.658 -16.115 1.00 0.00 H new ATOM 0 HA3 GLY C 68 84.072 -3.637 -17.404 1.00 0.00 H new ATOM 1043 N SER C 69 82.296 -3.171 -14.664 1.00 0.00 N ATOM 1044 CA SER C 69 80.979 -2.781 -14.169 1.00 0.00 C ATOM 1045 C SER C 69 80.845 -1.261 -14.157 1.00 0.00 C ATOM 1046 O SER C 69 79.742 -0.719 -14.229 1.00 0.00 O ATOM 1047 CB SER C 69 80.760 -3.316 -12.754 1.00 0.00 C ATOM 1048 OG SER C 69 81.040 -2.288 -11.813 1.00 0.00 O ATOM 0 H SER C 69 82.916 -3.569 -13.959 1.00 0.00 H new ATOM 0 HA SER C 69 80.228 -3.205 -14.835 1.00 0.00 H new ATOM 0 HB2 SER C 69 79.732 -3.660 -12.638 1.00 0.00 H new ATOM 0 HB3 SER C 69 81.406 -4.175 -12.574 1.00 0.00 H new ATOM 0 HG SER C 69 81.811 -2.546 -11.266 1.00 0.00 H new ATOM 1054 N GLY C 70 81.984 -0.578 -14.068 1.00 0.00 N ATOM 1055 CA GLY C 70 81.988 0.883 -14.053 1.00 0.00 C ATOM 1056 C GLY C 70 81.866 1.419 -12.630 1.00 0.00 C ATOM 1057 O GLY C 70 82.090 2.604 -12.378 1.00 0.00 O ATOM 0 H GLY C 70 82.907 -1.007 -14.006 1.00 0.00 H new ATOM 0 HA2 GLY C 70 82.908 1.252 -14.506 1.00 0.00 H new ATOM 0 HA3 GLY C 70 81.163 1.258 -14.658 1.00 0.00 H new ATOM 1061 N THR C 71 81.507 0.538 -11.700 1.00 0.00 N ATOM 1062 CA THR C 71 81.358 0.943 -10.304 1.00 0.00 C ATOM 1063 C THR C 71 81.769 -0.189 -9.367 1.00 0.00 C ATOM 1064 O THR C 71 82.262 -1.229 -9.804 1.00 0.00 O ATOM 1065 CB THR C 71 79.905 1.327 -10.011 1.00 0.00 C ATOM 1066 OG1 THR C 71 79.052 0.246 -10.362 1.00 0.00 O ATOM 1067 CG2 THR C 71 79.526 2.564 -10.826 1.00 0.00 C ATOM 0 H THR C 71 81.316 -0.447 -11.883 1.00 0.00 H new ATOM 0 HA THR C 71 82.005 1.804 -10.136 1.00 0.00 H new ATOM 0 HB THR C 71 79.795 1.548 -8.949 1.00 0.00 H new ATOM 0 HG1 THR C 71 78.120 0.495 -10.189 1.00 0.00 H new ATOM 0 HG21 THR C 71 78.491 2.835 -10.616 1.00 0.00 H new ATOM 0 HG22 THR C 71 80.181 3.393 -10.555 1.00 0.00 H new ATOM 0 HG23 THR C 71 79.635 2.347 -11.889 1.00 0.00 H new ATOM 1075 N VAL C 72 81.557 0.029 -8.072 1.00 0.00 N ATOM 1076 CA VAL C 72 81.907 -0.977 -7.070 1.00 0.00 C ATOM 1077 C VAL C 72 80.678 -1.363 -6.254 1.00 0.00 C ATOM 1078 O VAL C 72 80.380 -0.753 -5.226 1.00 0.00 O ATOM 1079 CB VAL C 72 82.982 -0.442 -6.123 1.00 0.00 C ATOM 1080 CG1 VAL C 72 83.827 -1.606 -5.602 1.00 0.00 C ATOM 1081 CG2 VAL C 72 83.879 0.546 -6.873 1.00 0.00 C ATOM 0 H VAL C 72 81.149 0.884 -7.693 1.00 0.00 H new ATOM 0 HA VAL C 72 82.289 -1.853 -7.594 1.00 0.00 H new ATOM 0 HB VAL C 72 82.507 0.066 -5.284 1.00 0.00 H new ATOM 0 HG11 VAL C 72 84.594 -1.226 -4.927 1.00 0.00 H new ATOM 0 HG12 VAL C 72 83.188 -2.308 -5.067 1.00 0.00 H new ATOM 0 HG13 VAL C 72 84.302 -2.115 -6.441 1.00 0.00 H new ATOM 0 HG21 VAL C 72 84.645 0.927 -6.198 1.00 0.00 H new ATOM 0 HG22 VAL C 72 84.355 0.040 -7.713 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.277 1.376 -7.243 1.00 0.00 H new ATOM 1091 N ASP C 73 79.967 -2.384 -6.724 1.00 0.00 N ATOM 1092 CA ASP C 73 78.767 -2.847 -6.031 1.00 0.00 C ATOM 1093 C ASP C 73 79.072 -3.133 -4.563 1.00 0.00 C ATOM 1094 O ASP C 73 80.166 -2.853 -4.073 1.00 0.00 O ATOM 1095 CB ASP C 73 78.223 -4.119 -6.687 1.00 0.00 C ATOM 1096 CG ASP C 73 79.377 -5.059 -7.018 1.00 0.00 C ATOM 1097 OD1 ASP C 73 79.821 -5.759 -6.122 1.00 0.00 O ATOM 1098 OD2 ASP C 73 79.799 -5.067 -8.163 1.00 0.00 O ATOM 0 H ASP C 73 80.197 -2.902 -7.572 1.00 0.00 H new ATOM 0 HA ASP C 73 78.018 -2.058 -6.097 1.00 0.00 H new ATOM 0 HB2 ASP C 73 77.519 -4.613 -6.017 1.00 0.00 H new ATOM 0 HB3 ASP C 73 77.675 -3.866 -7.595 1.00 0.00 H new ATOM 1103 N PHE C 74 78.085 -3.691 -3.870 1.00 0.00 N ATOM 1104 CA PHE C 74 78.240 -4.014 -2.453 1.00 0.00 C ATOM 1105 C PHE C 74 79.067 -5.285 -2.270 1.00 0.00 C ATOM 1106 O PHE C 74 79.342 -5.703 -1.146 1.00 0.00 O ATOM 1107 CB PHE C 74 76.865 -4.217 -1.811 1.00 0.00 C ATOM 1108 CG PHE C 74 77.031 -4.722 -0.399 1.00 0.00 C ATOM 1109 CD1 PHE C 74 77.205 -3.815 0.652 1.00 0.00 C ATOM 1110 CD2 PHE C 74 77.010 -6.098 -0.140 1.00 0.00 C ATOM 1111 CE1 PHE C 74 77.357 -4.282 1.963 1.00 0.00 C ATOM 1112 CE2 PHE C 74 77.162 -6.566 1.170 1.00 0.00 C ATOM 1113 CZ PHE C 74 77.336 -5.658 2.222 1.00 0.00 C ATOM 0 H PHE C 74 77.174 -3.929 -4.262 1.00 0.00 H new ATOM 0 HA PHE C 74 78.757 -3.183 -1.972 1.00 0.00 H new ATOM 0 HB2 PHE C 74 76.312 -3.278 -1.809 1.00 0.00 H new ATOM 0 HB3 PHE C 74 76.282 -4.929 -2.396 1.00 0.00 H new ATOM 0 HD1 PHE C 74 77.222 -2.754 0.452 1.00 0.00 H new ATOM 0 HD2 PHE C 74 76.876 -6.798 -0.951 1.00 0.00 H new ATOM 0 HE1 PHE C 74 77.490 -3.581 2.774 1.00 0.00 H new ATOM 0 HE2 PHE C 74 77.145 -7.627 1.370 1.00 0.00 H new ATOM 0 HZ PHE C 74 77.454 -6.019 3.233 1.00 0.00 H new ATOM 1123 N ASP C 75 79.456 -5.901 -3.384 1.00 0.00 N ATOM 1124 CA ASP C 75 80.245 -7.130 -3.323 1.00 0.00 C ATOM 1125 C ASP C 75 81.736 -6.828 -3.439 1.00 0.00 C ATOM 1126 O ASP C 75 82.459 -6.805 -2.442 1.00 0.00 O ATOM 1127 CB ASP C 75 79.843 -8.080 -4.452 1.00 0.00 C ATOM 1128 CG ASP C 75 79.253 -9.355 -3.857 1.00 0.00 C ATOM 1129 OD1 ASP C 75 80.013 -10.137 -3.311 1.00 0.00 O ATOM 1130 OD2 ASP C 75 78.050 -9.529 -3.956 1.00 0.00 O ATOM 0 H ASP C 75 79.242 -5.576 -4.327 1.00 0.00 H new ATOM 0 HA ASP C 75 80.048 -7.600 -2.359 1.00 0.00 H new ATOM 0 HB2 ASP C 75 79.114 -7.599 -5.104 1.00 0.00 H new ATOM 0 HB3 ASP C 75 80.711 -8.320 -5.066 1.00 0.00 H new ATOM 1135 N GLU C 76 82.189 -6.607 -4.669 1.00 0.00 N ATOM 1136 CA GLU C 76 83.601 -6.319 -4.912 1.00 0.00 C ATOM 1137 C GLU C 76 84.144 -5.348 -3.870 1.00 0.00 C ATOM 1138 O GLU C 76 85.304 -5.435 -3.467 1.00 0.00 O ATOM 1139 CB GLU C 76 83.796 -5.715 -6.305 1.00 0.00 C ATOM 1140 CG GLU C 76 82.753 -4.622 -6.541 1.00 0.00 C ATOM 1141 CD GLU C 76 82.791 -4.189 -8.003 1.00 0.00 C ATOM 1142 OE1 GLU C 76 83.590 -3.324 -8.324 1.00 0.00 O ATOM 1143 OE2 GLU C 76 82.023 -4.731 -8.781 1.00 0.00 O ATOM 0 H GLU C 76 81.607 -6.621 -5.506 1.00 0.00 H new ATOM 0 HA GLU C 76 84.146 -7.261 -4.844 1.00 0.00 H new ATOM 0 HB2 GLU C 76 84.800 -5.299 -6.395 1.00 0.00 H new ATOM 0 HB3 GLU C 76 83.703 -6.491 -7.065 1.00 0.00 H new ATOM 0 HG2 GLU C 76 81.760 -4.991 -6.286 1.00 0.00 H new ATOM 0 HG3 GLU C 76 82.952 -3.769 -5.893 1.00 0.00 H new ATOM 1150 N PHE C 77 83.296 -4.420 -3.436 1.00 0.00 N ATOM 1151 CA PHE C 77 83.712 -3.437 -2.438 1.00 0.00 C ATOM 1152 C PHE C 77 84.388 -4.131 -1.260 1.00 0.00 C ATOM 1153 O PHE C 77 85.615 -4.170 -1.165 1.00 0.00 O ATOM 1154 CB PHE C 77 82.507 -2.643 -1.926 1.00 0.00 C ATOM 1155 CG PHE C 77 82.923 -1.799 -0.743 1.00 0.00 C ATOM 1156 CD1 PHE C 77 83.724 -0.667 -0.937 1.00 0.00 C ATOM 1157 CD2 PHE C 77 82.509 -2.150 0.547 1.00 0.00 C ATOM 1158 CE1 PHE C 77 84.111 0.114 0.160 1.00 0.00 C ATOM 1159 CE2 PHE C 77 82.896 -1.370 1.644 1.00 0.00 C ATOM 1160 CZ PHE C 77 83.696 -0.238 1.450 1.00 0.00 C ATOM 0 H PHE C 77 82.331 -4.327 -3.753 1.00 0.00 H new ATOM 0 HA PHE C 77 84.416 -2.754 -2.913 1.00 0.00 H new ATOM 0 HB2 PHE C 77 82.114 -2.007 -2.719 1.00 0.00 H new ATOM 0 HB3 PHE C 77 81.706 -3.324 -1.637 1.00 0.00 H new ATOM 0 HD1 PHE C 77 84.044 -0.396 -1.932 1.00 0.00 H new ATOM 0 HD2 PHE C 77 81.891 -3.023 0.697 1.00 0.00 H new ATOM 0 HE1 PHE C 77 84.729 0.987 0.011 1.00 0.00 H new ATOM 0 HE2 PHE C 77 82.577 -1.642 2.639 1.00 0.00 H new ATOM 0 HZ PHE C 77 83.993 0.364 2.296 1.00 0.00 H new ATOM 1170 N LEU C 78 83.574 -4.678 -0.362 1.00 0.00 N ATOM 1171 CA LEU C 78 84.103 -5.369 0.811 1.00 0.00 C ATOM 1172 C LEU C 78 85.295 -6.241 0.426 1.00 0.00 C ATOM 1173 O LEU C 78 86.420 -6.012 0.868 1.00 0.00 O ATOM 1174 CB LEU C 78 83.026 -6.252 1.446 1.00 0.00 C ATOM 1175 CG LEU C 78 82.132 -5.400 2.349 1.00 0.00 C ATOM 1176 CD1 LEU C 78 80.730 -6.010 2.404 1.00 0.00 C ATOM 1177 CD2 LEU C 78 82.726 -5.359 3.759 1.00 0.00 C ATOM 0 H LEU C 78 82.556 -4.657 -0.422 1.00 0.00 H new ATOM 0 HA LEU C 78 84.422 -4.613 1.528 1.00 0.00 H new ATOM 0 HB2 LEU C 78 82.427 -6.728 0.670 1.00 0.00 H new ATOM 0 HB3 LEU C 78 83.490 -7.050 2.025 1.00 0.00 H new ATOM 0 HG LEU C 78 82.071 -4.388 1.949 1.00 0.00 H new ATOM 0 HD11 LEU C 78 80.094 -5.402 3.048 1.00 0.00 H new ATOM 0 HD12 LEU C 78 80.307 -6.041 1.400 1.00 0.00 H new ATOM 0 HD13 LEU C 78 80.789 -7.022 2.804 1.00 0.00 H new ATOM 0 HD21 LEU C 78 82.090 -4.752 4.404 1.00 0.00 H new ATOM 0 HD22 LEU C 78 82.787 -6.372 4.158 1.00 0.00 H new ATOM 0 HD23 LEU C 78 83.725 -4.924 3.721 1.00 0.00 H new ATOM 1189 N VAL C 79 85.031 -7.246 -0.403 1.00 0.00 N ATOM 1190 CA VAL C 79 86.084 -8.156 -0.845 1.00 0.00 C ATOM 1191 C VAL C 79 87.382 -7.397 -1.107 1.00 0.00 C ATOM 1192 O VAL C 79 88.411 -7.671 -0.488 1.00 0.00 O ATOM 1193 CB VAL C 79 85.662 -8.878 -2.125 1.00 0.00 C ATOM 1194 CG1 VAL C 79 86.712 -9.930 -2.489 1.00 0.00 C ATOM 1195 CG2 VAL C 79 84.312 -9.562 -1.899 1.00 0.00 C ATOM 0 H VAL C 79 84.106 -7.451 -0.780 1.00 0.00 H new ATOM 0 HA VAL C 79 86.249 -8.885 -0.051 1.00 0.00 H new ATOM 0 HB VAL C 79 85.575 -8.157 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL C 79 86.411 -10.444 -3.402 1.00 0.00 H new ATOM 0 HG12 VAL C 79 87.675 -9.444 -2.648 1.00 0.00 H new ATOM 0 HG13 VAL C 79 86.800 -10.652 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL C 79 84.008 -10.078 -2.810 1.00 0.00 H new ATOM 0 HG22 VAL C 79 84.401 -10.283 -1.086 1.00 0.00 H new ATOM 0 HG23 VAL C 79 83.564 -8.813 -1.639 1.00 0.00 H new ATOM 1205 N MET C 80 87.323 -6.444 -2.035 1.00 0.00 N ATOM 1206 CA MET C 80 88.503 -5.650 -2.381 1.00 0.00 C ATOM 1207 C MET C 80 89.357 -5.385 -1.146 1.00 0.00 C ATOM 1208 O MET C 80 90.497 -5.839 -1.051 1.00 0.00 O ATOM 1209 CB MET C 80 88.088 -4.309 -2.990 1.00 0.00 C ATOM 1210 CG MET C 80 89.234 -3.758 -3.841 1.00 0.00 C ATOM 1211 SD MET C 80 90.464 -2.983 -2.764 1.00 0.00 S ATOM 1212 CE MET C 80 89.478 -1.535 -2.309 1.00 0.00 C ATOM 0 H MET C 80 86.480 -6.203 -2.557 1.00 0.00 H new ATOM 0 HA MET C 80 89.083 -6.219 -3.108 1.00 0.00 H new ATOM 0 HB2 MET C 80 87.195 -4.436 -3.602 1.00 0.00 H new ATOM 0 HB3 MET C 80 87.835 -3.602 -2.200 1.00 0.00 H new ATOM 0 HG2 MET C 80 89.693 -4.562 -4.416 1.00 0.00 H new ATOM 0 HG3 MET C 80 88.852 -3.031 -4.558 1.00 0.00 H new ATOM 0 HE1 MET C 80 89.961 -0.633 -2.685 1.00 0.00 H new ATOM 0 HE2 MET C 80 88.482 -1.621 -2.744 1.00 0.00 H new ATOM 0 HE3 MET C 80 89.396 -1.477 -1.224 1.00 0.00 H new ATOM 1222 N MET C 81 88.793 -4.638 -0.202 1.00 0.00 N ATOM 1223 CA MET C 81 89.510 -4.310 1.027 1.00 0.00 C ATOM 1224 C MET C 81 90.175 -5.554 1.611 1.00 0.00 C ATOM 1225 O MET C 81 91.378 -5.569 1.869 1.00 0.00 O ATOM 1226 CB MET C 81 88.551 -3.726 2.065 1.00 0.00 C ATOM 1227 CG MET C 81 88.862 -2.243 2.271 1.00 0.00 C ATOM 1228 SD MET C 81 87.346 -1.275 2.068 1.00 0.00 S ATOM 1229 CE MET C 81 86.999 -1.751 0.357 1.00 0.00 C ATOM 0 H MET C 81 87.851 -4.251 -0.262 1.00 0.00 H new ATOM 0 HA MET C 81 90.275 -3.573 0.781 1.00 0.00 H new ATOM 0 HB2 MET C 81 87.520 -3.849 1.733 1.00 0.00 H new ATOM 0 HB3 MET C 81 88.649 -4.263 3.008 1.00 0.00 H new ATOM 0 HG2 MET C 81 89.278 -2.082 3.265 1.00 0.00 H new ATOM 0 HG3 MET C 81 89.614 -1.915 1.554 1.00 0.00 H new ATOM 0 HE1 MET C 81 87.023 -0.866 -0.279 1.00 0.00 H new ATOM 0 HE2 MET C 81 87.752 -2.463 0.017 1.00 0.00 H new ATOM 0 HE3 MET C 81 86.013 -2.212 0.300 1.00 0.00 H new ATOM 1239 N VAL C 82 89.374 -6.594 1.822 1.00 0.00 N ATOM 1240 CA VAL C 82 89.889 -7.841 2.384 1.00 0.00 C ATOM 1241 C VAL C 82 91.133 -8.298 1.627 1.00 0.00 C ATOM 1242 O VAL C 82 91.958 -9.042 2.157 1.00 0.00 O ATOM 1243 CB VAL C 82 88.826 -8.938 2.316 1.00 0.00 C ATOM 1244 CG1 VAL C 82 89.353 -10.206 2.991 1.00 0.00 C ATOM 1245 CG2 VAL C 82 87.566 -8.463 3.042 1.00 0.00 C ATOM 0 H VAL C 82 88.375 -6.600 1.615 1.00 0.00 H new ATOM 0 HA VAL C 82 90.151 -7.657 3.426 1.00 0.00 H new ATOM 0 HB VAL C 82 88.592 -9.154 1.274 1.00 0.00 H new ATOM 0 HG11 VAL C 82 88.594 -10.987 2.942 1.00 0.00 H new ATOM 0 HG12 VAL C 82 90.254 -10.543 2.479 1.00 0.00 H new ATOM 0 HG13 VAL C 82 89.587 -9.993 4.034 1.00 0.00 H new ATOM 0 HG21 VAL C 82 86.805 -9.242 2.997 1.00 0.00 H new ATOM 0 HG22 VAL C 82 87.805 -8.250 4.084 1.00 0.00 H new ATOM 0 HG23 VAL C 82 87.189 -7.559 2.564 1.00 0.00 H new ATOM 1255 N ARG C 83 91.262 -7.841 0.385 1.00 0.00 N ATOM 1256 CA ARG C 83 92.416 -8.207 -0.432 1.00 0.00 C ATOM 1257 C ARG C 83 93.627 -7.373 -0.032 1.00 0.00 C ATOM 1258 O ARG C 83 94.678 -7.906 0.326 1.00 0.00 O ATOM 1259 CB ARG C 83 92.124 -7.978 -1.917 1.00 0.00 C ATOM 1260 CG ARG C 83 90.870 -8.757 -2.320 1.00 0.00 C ATOM 1261 CD ARG C 83 90.918 -9.064 -3.818 1.00 0.00 C ATOM 1262 NE ARG C 83 91.828 -10.174 -4.089 1.00 0.00 N ATOM 1263 CZ ARG C 83 91.913 -10.711 -5.303 1.00 0.00 C ATOM 1264 NH1 ARG C 83 91.173 -10.251 -6.274 1.00 0.00 N ATOM 1265 NH2 ARG C 83 92.735 -11.700 -5.523 1.00 0.00 N ATOM 0 H ARG C 83 90.592 -7.224 -0.074 1.00 0.00 H new ATOM 0 HA ARG C 83 92.624 -9.264 -0.267 1.00 0.00 H new ATOM 0 HB2 ARG C 83 91.982 -6.915 -2.110 1.00 0.00 H new ATOM 0 HB3 ARG C 83 92.974 -8.300 -2.519 1.00 0.00 H new ATOM 0 HG2 ARG C 83 90.806 -9.684 -1.750 1.00 0.00 H new ATOM 0 HG3 ARG C 83 89.978 -8.177 -2.086 1.00 0.00 H new ATOM 0 HD2 ARG C 83 89.918 -9.311 -4.176 1.00 0.00 H new ATOM 0 HD3 ARG C 83 91.243 -8.179 -4.365 1.00 0.00 H new ATOM 0 HE ARG C 83 92.408 -10.543 -3.335 1.00 0.00 H new ATOM 0 HH11 ARG C 83 90.529 -9.479 -6.103 1.00 0.00 H new ATOM 0 HH12 ARG C 83 91.239 -10.663 -7.205 1.00 0.00 H new ATOM 0 HH21 ARG C 83 93.313 -12.062 -4.764 1.00 0.00 H new ATOM 0 HH22 ARG C 83 92.800 -12.112 -6.454 1.00 0.00 H new ATOM 1279 N CYS C 84 93.466 -6.055 -0.094 1.00 0.00 N ATOM 1280 CA CYS C 84 94.549 -5.145 0.266 1.00 0.00 C ATOM 1281 C CYS C 84 94.829 -5.217 1.763 1.00 0.00 C ATOM 1282 O CYS C 84 95.975 -5.125 2.201 1.00 0.00 O ATOM 1283 CB CYS C 84 94.186 -3.706 -0.104 1.00 0.00 C ATOM 1284 SG CYS C 84 92.773 -3.166 0.890 1.00 0.00 S ATOM 0 H CYS C 84 92.604 -5.596 -0.387 1.00 0.00 H new ATOM 0 HA CYS C 84 95.439 -5.447 -0.286 1.00 0.00 H new ATOM 0 HB2 CYS C 84 95.038 -3.049 0.069 1.00 0.00 H new ATOM 0 HB3 CYS C 84 93.944 -3.642 -1.165 1.00 0.00 H new ATOM 0 HG CYS C 84 92.039 -4.194 1.195 1.00 0.00 H new ATOM 1290 N MET C 85 93.765 -5.382 2.545 1.00 0.00 N ATOM 1291 CA MET C 85 93.906 -5.464 3.996 1.00 0.00 C ATOM 1292 C MET C 85 95.100 -6.339 4.363 1.00 0.00 C ATOM 1293 O MET C 85 95.937 -5.962 5.183 1.00 0.00 O ATOM 1294 CB MET C 85 92.642 -6.052 4.625 1.00 0.00 C ATOM 1295 CG MET C 85 91.502 -5.037 4.527 1.00 0.00 C ATOM 1296 SD MET C 85 91.261 -4.243 6.136 1.00 0.00 S ATOM 1297 CE MET C 85 89.749 -3.337 5.724 1.00 0.00 C ATOM 0 H MET C 85 92.807 -5.461 2.204 1.00 0.00 H new ATOM 0 HA MET C 85 94.063 -4.455 4.378 1.00 0.00 H new ATOM 0 HB2 MET C 85 92.366 -6.975 4.116 1.00 0.00 H new ATOM 0 HB3 MET C 85 92.827 -6.307 5.668 1.00 0.00 H new ATOM 0 HG2 MET C 85 91.733 -4.287 3.770 1.00 0.00 H new ATOM 0 HG3 MET C 85 90.584 -5.534 4.214 1.00 0.00 H new ATOM 0 HE1 MET C 85 89.157 -3.188 6.627 1.00 0.00 H new ATOM 0 HE2 MET C 85 90.010 -2.368 5.298 1.00 0.00 H new ATOM 0 HE3 MET C 85 89.169 -3.908 4.999 1.00 0.00 H new ATOM 1307 N LYS C 86 95.167 -7.514 3.743 1.00 0.00 N ATOM 1308 CA LYS C 86 96.262 -8.443 4.008 1.00 0.00 C ATOM 1309 C LYS C 86 97.531 -7.988 3.293 1.00 0.00 C ATOM 1310 O LYS C 86 98.113 -8.727 2.498 1.00 0.00 O ATOM 1311 CB LYS C 86 95.896 -9.851 3.531 1.00 0.00 C ATOM 1312 CG LYS C 86 95.032 -10.541 4.590 1.00 0.00 C ATOM 1313 CD LYS C 86 93.750 -11.070 3.941 1.00 0.00 C ATOM 1314 CE LYS C 86 92.609 -11.034 4.961 1.00 0.00 C ATOM 1315 NZ LYS C 86 91.686 -12.178 4.715 1.00 0.00 N ATOM 0 H LYS C 86 94.484 -7.843 3.061 1.00 0.00 H new ATOM 0 HA LYS C 86 96.438 -8.459 5.084 1.00 0.00 H new ATOM 0 HB2 LYS C 86 95.357 -9.797 2.585 1.00 0.00 H new ATOM 0 HB3 LYS C 86 96.801 -10.432 3.350 1.00 0.00 H new ATOM 0 HG2 LYS C 86 95.585 -11.361 5.048 1.00 0.00 H new ATOM 0 HG3 LYS C 86 94.786 -9.839 5.387 1.00 0.00 H new ATOM 0 HD2 LYS C 86 93.494 -10.465 3.071 1.00 0.00 H new ATOM 0 HD3 LYS C 86 93.903 -12.089 3.586 1.00 0.00 H new ATOM 0 HE2 LYS C 86 93.010 -11.088 5.973 1.00 0.00 H new ATOM 0 HE3 LYS C 86 92.066 -10.092 4.883 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 90.911 -12.154 5.408 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 91.294 -12.107 3.754 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 92.208 -13.072 4.811 1.00 0.00 H new ATOM 1392 N ILE I 148 93.934 2.956 4.494 1.00 0.00 N ATOM 1393 CA ILE I 148 92.793 2.072 4.727 1.00 0.00 C ATOM 1394 C ILE I 148 92.550 1.874 6.225 1.00 0.00 C ATOM 1395 O ILE I 148 92.178 0.789 6.672 1.00 0.00 O ATOM 1396 CB ILE I 148 93.020 0.716 4.039 1.00 0.00 C ATOM 1397 CG1 ILE I 148 91.665 0.115 3.664 1.00 0.00 C ATOM 1398 CG2 ILE I 148 93.770 -0.249 4.964 1.00 0.00 C ATOM 1399 CD1 ILE I 148 91.017 0.971 2.574 1.00 0.00 C ATOM 0 HA ILE I 148 91.907 2.541 4.299 1.00 0.00 H new ATOM 0 HB ILE I 148 93.624 0.872 3.145 1.00 0.00 H new ATOM 0 HG12 ILE I 148 91.793 -0.908 3.311 1.00 0.00 H new ATOM 0 HG13 ILE I 148 91.019 0.071 4.540 1.00 0.00 H new ATOM 0 HG21 ILE I 148 93.918 -1.201 4.454 1.00 0.00 H new ATOM 0 HG22 ILE I 148 94.739 0.177 5.226 1.00 0.00 H new ATOM 0 HG23 ILE I 148 93.187 -0.410 5.871 1.00 0.00 H new ATOM 0 HD11 ILE I 148 90.050 0.546 2.304 1.00 0.00 H new ATOM 0 HD12 ILE I 148 90.876 1.986 2.945 1.00 0.00 H new ATOM 0 HD13 ILE I 148 91.662 0.992 1.696 1.00 0.00 H new ATOM 1411 N SER I 149 92.754 2.941 6.994 1.00 0.00 N ATOM 1412 CA SER I 149 92.547 2.876 8.438 1.00 0.00 C ATOM 1413 C SER I 149 91.071 2.653 8.752 1.00 0.00 C ATOM 1414 O SER I 149 90.193 3.276 8.155 1.00 0.00 O ATOM 1415 CB SER I 149 93.006 4.172 9.107 1.00 0.00 C ATOM 1416 OG SER I 149 93.239 3.929 10.488 1.00 0.00 O ATOM 0 H SER I 149 93.059 3.850 6.647 1.00 0.00 H new ATOM 0 HA SER I 149 93.134 2.043 8.824 1.00 0.00 H new ATOM 0 HB2 SER I 149 93.916 4.538 8.631 1.00 0.00 H new ATOM 0 HB3 SER I 149 92.249 4.946 8.985 1.00 0.00 H new ATOM 0 HG SER I 149 93.535 4.757 10.920 1.00 0.00 H new ATOM 1422 N ALA I 150 90.809 1.754 9.696 1.00 0.00 N ATOM 1423 CA ALA I 150 89.435 1.448 10.085 1.00 0.00 C ATOM 1424 C ALA I 150 88.836 2.594 10.896 1.00 0.00 C ATOM 1425 O ALA I 150 87.620 2.695 11.050 1.00 0.00 O ATOM 1426 CB ALA I 150 89.391 0.171 10.927 1.00 0.00 C ATOM 0 H ALA I 150 91.522 1.229 10.202 1.00 0.00 H new ATOM 0 HA ALA I 150 88.854 1.307 9.174 1.00 0.00 H new ATOM 0 HB1 ALA I 150 88.360 -0.044 11.209 1.00 0.00 H new ATOM 0 HB2 ALA I 150 89.789 -0.661 10.347 1.00 0.00 H new ATOM 0 HB3 ALA I 150 89.992 0.307 11.826 1.00 0.00 H new ATOM 1432 N ASP I 151 89.706 3.453 11.418 1.00 0.00 N ATOM 1433 CA ASP I 151 89.254 4.587 12.220 1.00 0.00 C ATOM 1434 C ASP I 151 88.813 5.741 11.325 1.00 0.00 C ATOM 1435 O ASP I 151 87.850 6.445 11.627 1.00 0.00 O ATOM 1436 CB ASP I 151 90.376 5.072 13.140 1.00 0.00 C ATOM 1437 CG ASP I 151 90.762 3.956 14.104 1.00 0.00 C ATOM 1438 OD1 ASP I 151 91.468 3.054 13.684 1.00 0.00 O ATOM 1439 OD2 ASP I 151 90.346 4.019 15.249 1.00 0.00 O ATOM 0 H ASP I 151 90.717 3.388 11.303 1.00 0.00 H new ATOM 0 HA ASP I 151 88.407 4.253 12.820 1.00 0.00 H new ATOM 0 HB2 ASP I 151 91.241 5.372 12.549 1.00 0.00 H new ATOM 0 HB3 ASP I 151 90.050 5.951 13.696 1.00 0.00 H new ATOM 1444 N ALA I 152 89.532 5.931 10.223 1.00 0.00 N ATOM 1445 CA ALA I 152 89.209 7.008 9.290 1.00 0.00 C ATOM 1446 C ALA I 152 87.905 6.713 8.556 1.00 0.00 C ATOM 1447 O ALA I 152 87.200 7.624 8.123 1.00 0.00 O ATOM 1448 CB ALA I 152 90.329 7.179 8.261 1.00 0.00 C ATOM 0 H ALA I 152 90.334 5.361 9.955 1.00 0.00 H new ATOM 0 HA ALA I 152 89.099 7.926 9.867 1.00 0.00 H new ATOM 0 HB1 ALA I 152 90.072 7.985 7.574 1.00 0.00 H new ATOM 0 HB2 ALA I 152 91.260 7.422 8.773 1.00 0.00 H new ATOM 0 HB3 ALA I 152 90.454 6.252 7.702 1.00 0.00 H new ATOM 1454 N MET I 153 87.595 5.428 8.415 1.00 0.00 N ATOM 1455 CA MET I 153 86.375 5.020 7.724 1.00 0.00 C ATOM 1456 C MET I 153 85.150 5.260 8.600 1.00 0.00 C ATOM 1457 O MET I 153 84.038 5.434 8.100 1.00 0.00 O ATOM 1458 CB MET I 153 86.440 3.538 7.354 1.00 0.00 C ATOM 1459 CG MET I 153 86.518 3.397 5.834 1.00 0.00 C ATOM 1460 SD MET I 153 85.893 1.772 5.345 1.00 0.00 S ATOM 1461 CE MET I 153 86.627 1.739 3.691 1.00 0.00 C ATOM 0 H MET I 153 88.164 4.658 8.766 1.00 0.00 H new ATOM 0 HA MET I 153 86.291 5.619 6.817 1.00 0.00 H new ATOM 0 HB2 MET I 153 87.310 3.074 7.818 1.00 0.00 H new ATOM 0 HB3 MET I 153 85.560 3.018 7.734 1.00 0.00 H new ATOM 0 HG2 MET I 153 85.933 4.182 5.355 1.00 0.00 H new ATOM 0 HG3 MET I 153 87.548 3.518 5.499 1.00 0.00 H new ATOM 0 HE1 MET I 153 85.979 1.179 3.017 1.00 0.00 H new ATOM 0 HE2 MET I 153 86.740 2.759 3.323 1.00 0.00 H new ATOM 0 HE3 MET I 153 87.605 1.260 3.736 1.00 0.00 H new ATOM 1471 N MET I 154 85.363 5.264 9.911 1.00 0.00 N ATOM 1472 CA MET I 154 84.265 5.478 10.849 1.00 0.00 C ATOM 1473 C MET I 154 83.952 6.967 10.981 1.00 0.00 C ATOM 1474 O MET I 154 82.848 7.350 11.367 1.00 0.00 O ATOM 1475 CB MET I 154 84.620 4.918 12.228 1.00 0.00 C ATOM 1476 CG MET I 154 83.452 4.082 12.755 1.00 0.00 C ATOM 1477 SD MET I 154 83.934 2.338 12.812 1.00 0.00 S ATOM 1478 CE MET I 154 84.418 2.177 11.077 1.00 0.00 C ATOM 0 H MET I 154 86.275 5.123 10.346 1.00 0.00 H new ATOM 0 HA MET I 154 83.389 4.958 10.461 1.00 0.00 H new ATOM 0 HB2 MET I 154 85.519 4.306 12.163 1.00 0.00 H new ATOM 0 HB3 MET I 154 84.838 5.733 12.918 1.00 0.00 H new ATOM 0 HG2 MET I 154 83.166 4.424 13.750 1.00 0.00 H new ATOM 0 HG3 MET I 154 82.581 4.209 12.112 1.00 0.00 H new ATOM 0 HE1 MET I 154 84.654 1.135 10.860 1.00 0.00 H new ATOM 0 HE2 MET I 154 83.597 2.503 10.438 1.00 0.00 H new ATOM 0 HE3 MET I 154 85.295 2.795 10.885 1.00 0.00 H new ATOM 1488 N GLN I 155 84.936 7.802 10.657 1.00 0.00 N ATOM 1489 CA GLN I 155 84.752 9.249 10.744 1.00 0.00 C ATOM 1490 C GLN I 155 83.439 9.659 10.083 1.00 0.00 C ATOM 1491 O GLN I 155 82.605 10.332 10.688 1.00 0.00 O ATOM 1492 CB GLN I 155 85.906 9.979 10.054 1.00 0.00 C ATOM 1493 CG GLN I 155 86.670 10.820 11.080 1.00 0.00 C ATOM 1494 CD GLN I 155 88.169 10.593 10.912 1.00 0.00 C ATOM 1495 OE1 GLN I 155 88.647 10.358 9.801 1.00 0.00 O ATOM 1496 NE2 GLN I 155 88.948 10.649 11.958 1.00 0.00 N ATOM 0 H GLN I 155 85.858 7.507 10.336 1.00 0.00 H new ATOM 0 HA GLN I 155 84.730 9.522 11.799 1.00 0.00 H new ATOM 0 HB2 GLN I 155 86.578 9.259 9.587 1.00 0.00 H new ATOM 0 HB3 GLN I 155 85.522 10.618 9.259 1.00 0.00 H new ATOM 0 HG2 GLN I 155 86.435 11.876 10.948 1.00 0.00 H new ATOM 0 HG3 GLN I 155 86.362 10.549 12.090 1.00 0.00 H new ATOM 0 HE21 GLN I 155 88.553 10.844 12.878 1.00 0.00 H new ATOM 0 HE22 GLN I 155 89.952 10.498 11.855 1.00 0.00 H new ATOM 1505 N ALA I 156 83.267 9.242 8.832 1.00 0.00 N ATOM 1506 CA ALA I 156 82.052 9.566 8.087 1.00 0.00 C ATOM 1507 C ALA I 156 80.860 8.799 8.648 1.00 0.00 C ATOM 1508 O ALA I 156 79.707 9.100 8.339 1.00 0.00 O ATOM 1509 CB ALA I 156 82.221 9.203 6.612 1.00 0.00 C ATOM 0 H ALA I 156 83.946 8.684 8.315 1.00 0.00 H new ATOM 0 HA ALA I 156 81.874 10.637 8.184 1.00 0.00 H new ATOM 0 HB1 ALA I 156 81.308 9.450 6.070 1.00 0.00 H new ATOM 0 HB2 ALA I 156 83.056 9.765 6.192 1.00 0.00 H new ATOM 0 HB3 ALA I 156 82.420 8.135 6.521 1.00 0.00 H new ATOM 1515 N LEU I 157 81.152 7.797 9.471 1.00 0.00 N ATOM 1516 CA LEU I 157 80.100 6.980 10.067 1.00 0.00 C ATOM 1517 C LEU I 157 79.702 7.540 11.428 1.00 0.00 C ATOM 1518 O LEU I 157 79.442 6.795 12.372 1.00 0.00 O ATOM 1519 CB LEU I 157 80.583 5.537 10.239 1.00 0.00 C ATOM 1520 CG LEU I 157 80.599 4.827 8.880 1.00 0.00 C ATOM 1521 CD1 LEU I 157 81.236 5.734 7.825 1.00 0.00 C ATOM 1522 CD2 LEU I 157 81.416 3.540 8.993 1.00 0.00 C ATOM 0 H LEU I 157 82.100 7.532 9.739 1.00 0.00 H new ATOM 0 HA LEU I 157 79.236 6.997 9.402 1.00 0.00 H new ATOM 0 HB2 LEU I 157 81.582 5.528 10.676 1.00 0.00 H new ATOM 0 HB3 LEU I 157 79.929 5.005 10.929 1.00 0.00 H new ATOM 0 HG LEU I 157 79.576 4.594 8.585 1.00 0.00 H new ATOM 0 HD11 LEU I 157 81.244 5.223 6.862 1.00 0.00 H new ATOM 0 HD12 LEU I 157 80.660 6.656 7.742 1.00 0.00 H new ATOM 0 HD13 LEU I 157 82.259 5.971 8.118 1.00 0.00 H new ATOM 0 HD21 LEU I 157 81.430 3.032 8.029 1.00 0.00 H new ATOM 0 HD22 LEU I 157 82.436 3.782 9.291 1.00 0.00 H new ATOM 0 HD23 LEU I 157 80.965 2.887 9.740 1.00 0.00 H new