USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=15 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 180:sc= 0 (180deg=0) USER MOD Set 1.2: C 81 MET CE :methyl -133:sc= -3.49! (180deg=-5.61!) USER MOD Single : C 5 TYR OH : rot 30:sc= -3.09! USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= -0.0675 (180deg=-0.0675) USER MOD Single : C 11 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0.01 USER MOD Single : C 16 GLN : amide:sc= -14.8! C(o=-15!,f=-19!) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -2.01 X(o=-2,f=-2.3!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 94:sc= 0.0386 USER MOD Single : C 37 SER OG : rot 180:sc= 0.097 USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 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 163:sc= -0.101 (180deg=-0.669) USER MOD Single : C 47 MET CE :methyl -120:sc= -3.4 (180deg=-6.77!) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 51 ASN : amide:sc= -0.185 K(o=-0.18,f=-2.6) USER MOD Single : C 53 THR OG1 : rot 154:sc= -2.04! USER MOD Single : C 58 GLN : amide:sc= -0.693 K(o=-0.69,f=-0.13) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 69 SER OG : rot -88:sc= 0.813 USER MOD Single : C 71 THR OG1 : rot -160:sc= -0.836 USER MOD Single : C 84 CYS SG : rot 180:sc= 0 USER MOD Single : C 85 MET CE :methyl 141:sc= -0.49 (180deg=-1.76) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 149 SER OG : rot -78:sc= 1.02 USER MOD Single : I 153 MET CE :methyl 179:sc= -1.81 (180deg=-1.85) USER MOD Single : I 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 155 GLN : amide:sc= -0.477 K(o=-0.48,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 88.838 -15.687 0.752 1.00 0.00 N ATOM 64 CA TYR C 5 88.110 -14.513 1.227 1.00 0.00 C ATOM 65 C TYR C 5 86.874 -14.935 2.014 1.00 0.00 C ATOM 66 O TYR C 5 86.549 -14.350 3.048 1.00 0.00 O ATOM 67 CB TYR C 5 87.681 -13.634 0.050 1.00 0.00 C ATOM 68 CG TYR C 5 88.892 -12.940 -0.525 1.00 0.00 C ATOM 69 CD1 TYR C 5 89.649 -13.567 -1.520 1.00 0.00 C ATOM 70 CD2 TYR C 5 89.261 -11.673 -0.059 1.00 0.00 C ATOM 71 CE1 TYR C 5 90.776 -12.928 -2.051 1.00 0.00 C ATOM 72 CE2 TYR C 5 90.387 -11.032 -0.590 1.00 0.00 C ATOM 73 CZ TYR C 5 91.145 -11.660 -1.586 1.00 0.00 C ATOM 74 OH TYR C 5 92.257 -11.031 -2.108 1.00 0.00 O ATOM 0 HA TYR C 5 88.776 -13.945 1.876 1.00 0.00 H new ATOM 0 HB2 TYR C 5 87.199 -14.242 -0.716 1.00 0.00 H new ATOM 0 HB3 TYR C 5 86.948 -12.897 0.380 1.00 0.00 H new ATOM 0 HD1 TYR C 5 89.364 -14.545 -1.879 1.00 0.00 H new ATOM 0 HD2 TYR C 5 88.677 -11.190 0.710 1.00 0.00 H new ATOM 0 HE1 TYR C 5 91.360 -13.413 -2.819 1.00 0.00 H new ATOM 0 HE2 TYR C 5 90.671 -10.054 -0.232 1.00 0.00 H new ATOM 0 HH TYR C 5 92.386 -11.313 -3.038 1.00 0.00 H new ATOM 84 N LYS C 6 86.189 -15.961 1.515 1.00 0.00 N ATOM 85 CA LYS C 6 84.988 -16.456 2.182 1.00 0.00 C ATOM 86 C LYS C 6 85.209 -16.514 3.690 1.00 0.00 C ATOM 87 O LYS C 6 84.507 -15.860 4.461 1.00 0.00 O ATOM 88 CB LYS C 6 84.629 -17.854 1.675 1.00 0.00 C ATOM 89 CG LYS C 6 83.682 -17.736 0.478 1.00 0.00 C ATOM 90 CD LYS C 6 82.261 -17.471 0.977 1.00 0.00 C ATOM 91 CE LYS C 6 81.686 -18.751 1.586 1.00 0.00 C ATOM 92 NZ LYS C 6 81.354 -18.515 3.019 1.00 0.00 N ATOM 0 H LYS C 6 86.441 -16.460 0.662 1.00 0.00 H new ATOM 0 HA LYS C 6 84.170 -15.772 1.958 1.00 0.00 H new ATOM 0 HB2 LYS C 6 85.533 -18.391 1.386 1.00 0.00 H new ATOM 0 HB3 LYS C 6 84.157 -18.431 2.470 1.00 0.00 H new ATOM 0 HG2 LYS C 6 84.006 -16.927 -0.177 1.00 0.00 H new ATOM 0 HG3 LYS C 6 83.707 -18.653 -0.111 1.00 0.00 H new ATOM 0 HD2 LYS C 6 82.268 -16.674 1.720 1.00 0.00 H new ATOM 0 HD3 LYS C 6 81.632 -17.133 0.153 1.00 0.00 H new ATOM 0 HE2 LYS C 6 80.793 -19.056 1.041 1.00 0.00 H new ATOM 0 HE3 LYS C 6 82.407 -19.564 1.498 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 80.963 -19.385 3.433 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 82.215 -18.243 3.535 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 80.652 -17.752 3.091 1.00 0.00 H new ATOM 106 N ALA C 7 86.199 -17.304 4.102 1.00 0.00 N ATOM 107 CA ALA C 7 86.512 -17.438 5.521 1.00 0.00 C ATOM 108 C ALA C 7 86.627 -16.061 6.164 1.00 0.00 C ATOM 109 O ALA C 7 86.032 -15.794 7.208 1.00 0.00 O ATOM 110 CB ALA C 7 87.832 -18.188 5.712 1.00 0.00 C ATOM 0 H ALA C 7 86.791 -17.855 3.481 1.00 0.00 H new ATOM 0 HA ALA C 7 85.707 -18.000 5.995 1.00 0.00 H new ATOM 0 HB1 ALA C 7 88.049 -18.278 6.776 1.00 0.00 H new ATOM 0 HB2 ALA C 7 87.752 -19.182 5.272 1.00 0.00 H new ATOM 0 HB3 ALA C 7 88.637 -17.639 5.223 1.00 0.00 H new ATOM 116 N ALA C 8 87.398 -15.187 5.522 1.00 0.00 N ATOM 117 CA ALA C 8 87.583 -13.834 6.034 1.00 0.00 C ATOM 118 C ALA C 8 86.233 -13.145 6.188 1.00 0.00 C ATOM 119 O ALA C 8 85.919 -12.585 7.239 1.00 0.00 O ATOM 120 CB ALA C 8 88.457 -13.014 5.084 1.00 0.00 C ATOM 0 H ALA C 8 87.899 -15.389 4.657 1.00 0.00 H new ATOM 0 HA ALA C 8 88.075 -13.902 7.004 1.00 0.00 H new ATOM 0 HB1 ALA C 8 88.583 -12.008 5.483 1.00 0.00 H new ATOM 0 HB2 ALA C 8 89.432 -13.490 4.985 1.00 0.00 H new ATOM 0 HB3 ALA C 8 87.979 -12.959 4.106 1.00 0.00 H new ATOM 126 N VAL C 9 85.434 -13.199 5.127 1.00 0.00 N ATOM 127 CA VAL C 9 84.112 -12.583 5.148 1.00 0.00 C ATOM 128 C VAL C 9 83.240 -13.243 6.209 1.00 0.00 C ATOM 129 O VAL C 9 82.288 -12.646 6.712 1.00 0.00 O ATOM 130 CB VAL C 9 83.431 -12.730 3.786 1.00 0.00 C ATOM 131 CG1 VAL C 9 81.957 -12.334 3.906 1.00 0.00 C ATOM 132 CG2 VAL C 9 84.123 -11.819 2.770 1.00 0.00 C ATOM 0 H VAL C 9 85.676 -13.659 4.249 1.00 0.00 H new ATOM 0 HA VAL C 9 84.236 -11.525 5.380 1.00 0.00 H new ATOM 0 HB VAL C 9 83.502 -13.766 3.454 1.00 0.00 H new ATOM 0 HG11 VAL C 9 81.472 -12.439 2.936 1.00 0.00 H new ATOM 0 HG12 VAL C 9 81.464 -12.983 4.630 1.00 0.00 H new ATOM 0 HG13 VAL C 9 81.884 -11.298 4.238 1.00 0.00 H new ATOM 0 HG21 VAL C 9 83.639 -11.923 1.799 1.00 0.00 H new ATOM 0 HG22 VAL C 9 84.052 -10.783 3.102 1.00 0.00 H new ATOM 0 HG23 VAL C 9 85.172 -12.101 2.684 1.00 0.00 H new ATOM 142 N GLU C 10 83.576 -14.485 6.542 1.00 0.00 N ATOM 143 CA GLU C 10 82.816 -15.221 7.544 1.00 0.00 C ATOM 144 C GLU C 10 83.262 -14.808 8.941 1.00 0.00 C ATOM 145 O GLU C 10 82.486 -14.841 9.895 1.00 0.00 O ATOM 146 CB GLU C 10 83.021 -16.727 7.372 1.00 0.00 C ATOM 147 CG GLU C 10 82.449 -17.167 6.023 1.00 0.00 C ATOM 148 CD GLU C 10 81.380 -18.232 6.245 1.00 0.00 C ATOM 149 OE1 GLU C 10 81.642 -19.159 6.994 1.00 0.00 O ATOM 150 OE2 GLU C 10 80.316 -18.106 5.662 1.00 0.00 O ATOM 0 H GLU C 10 84.360 -14.997 6.138 1.00 0.00 H new ATOM 0 HA GLU C 10 81.759 -14.989 7.414 1.00 0.00 H new ATOM 0 HB2 GLU C 10 84.082 -16.969 7.426 1.00 0.00 H new ATOM 0 HB3 GLU C 10 82.529 -17.267 8.181 1.00 0.00 H new ATOM 0 HG2 GLU C 10 82.021 -16.311 5.501 1.00 0.00 H new ATOM 0 HG3 GLU C 10 83.244 -17.561 5.390 1.00 0.00 H new ATOM 157 N GLN C 11 84.526 -14.408 9.042 1.00 0.00 N ATOM 158 CA GLN C 11 85.082 -13.974 10.319 1.00 0.00 C ATOM 159 C GLN C 11 84.340 -12.745 10.820 1.00 0.00 C ATOM 160 O GLN C 11 83.928 -12.672 11.977 1.00 0.00 O ATOM 161 CB GLN C 11 86.557 -13.612 10.160 1.00 0.00 C ATOM 162 CG GLN C 11 87.378 -14.884 9.940 1.00 0.00 C ATOM 163 CD GLN C 11 88.854 -14.522 9.831 1.00 0.00 C ATOM 164 OE1 GLN C 11 89.200 -13.372 9.561 1.00 0.00 O ATOM 165 NE2 GLN C 11 89.755 -15.445 10.029 1.00 0.00 N ATOM 0 H GLN C 11 85.181 -14.375 8.261 1.00 0.00 H new ATOM 0 HA GLN C 11 84.976 -14.793 11.031 1.00 0.00 H new ATOM 0 HB2 GLN C 11 86.686 -12.934 9.317 1.00 0.00 H new ATOM 0 HB3 GLN C 11 86.911 -13.088 11.048 1.00 0.00 H new ATOM 0 HG2 GLN C 11 87.223 -15.578 10.766 1.00 0.00 H new ATOM 0 HG3 GLN C 11 87.049 -15.390 9.033 1.00 0.00 H new ATOM 0 HE21 GLN C 11 89.468 -16.398 10.253 1.00 0.00 H new ATOM 0 HE22 GLN C 11 90.746 -15.213 9.960 1.00 0.00 H new ATOM 174 N LEU C 12 84.184 -11.776 9.927 1.00 0.00 N ATOM 175 CA LEU C 12 83.501 -10.539 10.270 1.00 0.00 C ATOM 176 C LEU C 12 82.168 -10.833 10.952 1.00 0.00 C ATOM 177 O LEU C 12 81.407 -11.698 10.517 1.00 0.00 O ATOM 178 CB LEU C 12 83.255 -9.704 9.012 1.00 0.00 C ATOM 179 CG LEU C 12 84.586 -9.455 8.299 1.00 0.00 C ATOM 180 CD1 LEU C 12 84.405 -8.367 7.239 1.00 0.00 C ATOM 181 CD2 LEU C 12 85.636 -9.003 9.318 1.00 0.00 C ATOM 0 H LEU C 12 84.520 -11.824 8.965 1.00 0.00 H new ATOM 0 HA LEU C 12 84.136 -9.980 10.957 1.00 0.00 H new ATOM 0 HB2 LEU C 12 82.565 -10.223 8.347 1.00 0.00 H new ATOM 0 HB3 LEU C 12 82.789 -8.755 9.277 1.00 0.00 H new ATOM 0 HG LEU C 12 84.916 -10.377 7.820 1.00 0.00 H new ATOM 0 HD11 LEU C 12 85.354 -8.191 6.732 1.00 0.00 H new ATOM 0 HD12 LEU C 12 83.659 -8.688 6.512 1.00 0.00 H new ATOM 0 HD13 LEU C 12 84.072 -7.445 7.717 1.00 0.00 H new ATOM 0 HD21 LEU C 12 86.584 -8.826 8.810 1.00 0.00 H new ATOM 0 HD22 LEU C 12 85.304 -8.083 9.798 1.00 0.00 H new ATOM 0 HD23 LEU C 12 85.768 -9.779 10.072 1.00 0.00 H new ATOM 193 N THR C 13 81.898 -10.103 12.031 1.00 0.00 N ATOM 194 CA THR C 13 80.656 -10.288 12.776 1.00 0.00 C ATOM 195 C THR C 13 79.663 -9.180 12.440 1.00 0.00 C ATOM 196 O THR C 13 80.013 -8.183 11.809 1.00 0.00 O ATOM 197 CB THR C 13 80.929 -10.272 14.283 1.00 0.00 C ATOM 198 OG1 THR C 13 82.331 -10.239 14.508 1.00 0.00 O ATOM 199 CG2 THR C 13 80.337 -11.526 14.926 1.00 0.00 C ATOM 0 H THR C 13 82.516 -9.384 12.406 1.00 0.00 H new ATOM 0 HA THR C 13 80.234 -11.252 12.493 1.00 0.00 H new ATOM 0 HB THR C 13 80.468 -9.389 14.726 1.00 0.00 H new ATOM 0 HG1 THR C 13 82.507 -10.227 15.472 1.00 0.00 H new ATOM 0 HG21 THR C 13 80.533 -11.512 15.998 1.00 0.00 H new ATOM 0 HG22 THR C 13 79.261 -11.550 14.754 1.00 0.00 H new ATOM 0 HG23 THR C 13 80.795 -12.412 14.485 1.00 0.00 H new ATOM 207 N GLU C 14 78.419 -9.367 12.871 1.00 0.00 N ATOM 208 CA GLU C 14 77.380 -8.376 12.612 1.00 0.00 C ATOM 209 C GLU C 14 77.840 -6.996 13.065 1.00 0.00 C ATOM 210 O GLU C 14 77.322 -5.974 12.614 1.00 0.00 O ATOM 211 CB GLU C 14 76.092 -8.742 13.351 1.00 0.00 C ATOM 212 CG GLU C 14 74.911 -8.671 12.382 1.00 0.00 C ATOM 213 CD GLU C 14 74.684 -10.043 11.757 1.00 0.00 C ATOM 214 OE1 GLU C 14 75.501 -10.445 10.945 1.00 0.00 O ATOM 215 OE2 GLU C 14 73.696 -10.672 12.100 1.00 0.00 O ATOM 0 H GLU C 14 78.108 -10.185 13.395 1.00 0.00 H new ATOM 0 HA GLU C 14 77.188 -8.362 11.539 1.00 0.00 H new ATOM 0 HB2 GLU C 14 76.173 -9.745 13.770 1.00 0.00 H new ATOM 0 HB3 GLU C 14 75.933 -8.060 14.186 1.00 0.00 H new ATOM 0 HG2 GLU C 14 74.014 -8.346 12.909 1.00 0.00 H new ATOM 0 HG3 GLU C 14 75.109 -7.933 11.604 1.00 0.00 H new ATOM 222 N GLU C 15 78.822 -6.977 13.963 1.00 0.00 N ATOM 223 CA GLU C 15 79.347 -5.714 14.469 1.00 0.00 C ATOM 224 C GLU C 15 80.132 -4.994 13.379 1.00 0.00 C ATOM 225 O GLU C 15 79.653 -4.026 12.789 1.00 0.00 O ATOM 226 CB GLU C 15 80.258 -5.950 15.675 1.00 0.00 C ATOM 227 CG GLU C 15 79.525 -6.807 16.707 1.00 0.00 C ATOM 228 CD GLU C 15 80.086 -6.523 18.096 1.00 0.00 C ATOM 229 OE1 GLU C 15 81.283 -6.680 18.272 1.00 0.00 O ATOM 230 OE2 GLU C 15 79.311 -6.154 18.962 1.00 0.00 O ATOM 0 H GLU C 15 79.265 -7.810 14.350 1.00 0.00 H new ATOM 0 HA GLU C 15 78.502 -5.098 14.777 1.00 0.00 H new ATOM 0 HB2 GLU C 15 81.175 -6.447 15.360 1.00 0.00 H new ATOM 0 HB3 GLU C 15 80.548 -4.997 16.118 1.00 0.00 H new ATOM 0 HG2 GLU C 15 78.457 -6.590 16.683 1.00 0.00 H new ATOM 0 HG3 GLU C 15 79.641 -7.864 16.466 1.00 0.00 H new ATOM 237 N GLN C 16 81.343 -5.477 13.111 1.00 0.00 N ATOM 238 CA GLN C 16 82.177 -4.863 12.084 1.00 0.00 C ATOM 239 C GLN C 16 81.362 -4.646 10.812 1.00 0.00 C ATOM 240 O GLN C 16 81.583 -3.691 10.068 1.00 0.00 O ATOM 241 CB GLN C 16 83.396 -5.742 11.774 1.00 0.00 C ATOM 242 CG GLN C 16 82.992 -6.893 10.850 1.00 0.00 C ATOM 243 CD GLN C 16 83.092 -6.432 9.401 1.00 0.00 C ATOM 244 OE1 GLN C 16 82.088 -6.374 8.690 1.00 0.00 O ATOM 245 NE2 GLN C 16 84.255 -6.094 8.915 1.00 0.00 N ATOM 0 H GLN C 16 81.762 -6.278 13.582 1.00 0.00 H new ATOM 0 HA GLN C 16 82.529 -3.901 12.458 1.00 0.00 H new ATOM 0 HB2 GLN C 16 84.176 -5.143 11.303 1.00 0.00 H new ATOM 0 HB3 GLN C 16 83.814 -6.138 12.700 1.00 0.00 H new ATOM 0 HG2 GLN C 16 83.641 -7.753 11.016 1.00 0.00 H new ATOM 0 HG3 GLN C 16 81.974 -7.214 11.073 1.00 0.00 H new ATOM 0 HE21 GLN C 16 85.087 -6.142 9.503 1.00 0.00 H new ATOM 0 HE22 GLN C 16 84.332 -5.782 7.947 1.00 0.00 H new ATOM 254 N LYS C 17 80.412 -5.548 10.575 1.00 0.00 N ATOM 255 CA LYS C 17 79.559 -5.452 9.395 1.00 0.00 C ATOM 256 C LYS C 17 78.737 -4.168 9.437 1.00 0.00 C ATOM 257 O LYS C 17 78.851 -3.312 8.560 1.00 0.00 O ATOM 258 CB LYS C 17 78.608 -6.648 9.324 1.00 0.00 C ATOM 259 CG LYS C 17 78.595 -7.206 7.900 1.00 0.00 C ATOM 260 CD LYS C 17 79.471 -8.458 7.837 1.00 0.00 C ATOM 261 CE LYS C 17 79.045 -9.321 6.648 1.00 0.00 C ATOM 262 NZ LYS C 17 80.151 -10.254 6.292 1.00 0.00 N ATOM 0 H LYS C 17 80.215 -6.346 11.179 1.00 0.00 H new ATOM 0 HA LYS C 17 80.201 -5.446 8.514 1.00 0.00 H new ATOM 0 HB2 LYS C 17 78.925 -7.420 10.025 1.00 0.00 H new ATOM 0 HB3 LYS C 17 77.603 -6.345 9.616 1.00 0.00 H new ATOM 0 HG2 LYS C 17 77.575 -7.447 7.601 1.00 0.00 H new ATOM 0 HG3 LYS C 17 78.963 -6.456 7.200 1.00 0.00 H new ATOM 0 HD2 LYS C 17 80.519 -8.176 7.738 1.00 0.00 H new ATOM 0 HD3 LYS C 17 79.379 -9.026 8.763 1.00 0.00 H new ATOM 0 HE2 LYS C 17 78.145 -9.884 6.897 1.00 0.00 H new ATOM 0 HE3 LYS C 17 78.799 -8.688 5.795 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 79.863 -10.842 5.484 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 80.998 -9.707 6.038 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 80.365 -10.865 7.106 1.00 0.00 H new ATOM 276 N ASN C 18 77.908 -4.043 10.470 1.00 0.00 N ATOM 277 CA ASN C 18 77.069 -2.856 10.620 1.00 0.00 C ATOM 278 C ASN C 18 77.869 -1.601 10.289 1.00 0.00 C ATOM 279 O ASN C 18 77.605 -0.923 9.296 1.00 0.00 O ATOM 280 CB ASN C 18 76.537 -2.749 12.050 1.00 0.00 C ATOM 281 CG ASN C 18 75.500 -3.842 12.291 1.00 0.00 C ATOM 282 OD1 ASN C 18 74.710 -4.163 11.403 1.00 0.00 O ATOM 283 ND2 ASN C 18 75.456 -4.439 13.451 1.00 0.00 N ATOM 0 H ASN C 18 77.799 -4.739 11.208 1.00 0.00 H new ATOM 0 HA ASN C 18 76.229 -2.946 9.932 1.00 0.00 H new ATOM 0 HB2 ASN C 18 77.356 -2.847 12.762 1.00 0.00 H new ATOM 0 HB3 ASN C 18 76.091 -1.768 12.211 1.00 0.00 H new ATOM 0 HD21 ASN C 18 74.767 -5.172 13.622 1.00 0.00 H new ATOM 0 HD22 ASN C 18 76.111 -4.173 14.187 1.00 0.00 H new ATOM 290 N GLU C 19 78.852 -1.299 11.132 1.00 0.00 N ATOM 291 CA GLU C 19 79.687 -0.121 10.916 1.00 0.00 C ATOM 292 C GLU C 19 80.089 -0.021 9.447 1.00 0.00 C ATOM 293 O GLU C 19 80.220 1.073 8.898 1.00 0.00 O ATOM 294 CB GLU C 19 80.954 -0.176 11.779 1.00 0.00 C ATOM 295 CG GLU C 19 81.328 -1.631 12.068 1.00 0.00 C ATOM 296 CD GLU C 19 80.983 -1.963 13.516 1.00 0.00 C ATOM 297 OE1 GLU C 19 79.943 -1.518 13.973 1.00 0.00 O ATOM 298 OE2 GLU C 19 81.763 -2.658 14.146 1.00 0.00 O ATOM 0 H GLU C 19 79.088 -1.845 11.960 1.00 0.00 H new ATOM 0 HA GLU C 19 79.104 0.755 11.200 1.00 0.00 H new ATOM 0 HB2 GLU C 19 81.775 0.324 11.266 1.00 0.00 H new ATOM 0 HB3 GLU C 19 80.790 0.359 12.715 1.00 0.00 H new ATOM 0 HG2 GLU C 19 80.791 -2.297 11.393 1.00 0.00 H new ATOM 0 HG3 GLU C 19 82.392 -1.787 11.891 1.00 0.00 H new ATOM 305 N PHE C 20 80.277 -1.177 8.815 1.00 0.00 N ATOM 306 CA PHE C 20 80.659 -1.207 7.405 1.00 0.00 C ATOM 307 C PHE C 20 79.441 -0.957 6.522 1.00 0.00 C ATOM 308 O PHE C 20 79.421 -0.024 5.720 1.00 0.00 O ATOM 309 CB PHE C 20 81.279 -2.556 7.038 1.00 0.00 C ATOM 310 CG PHE C 20 82.737 -2.356 6.703 1.00 0.00 C ATOM 311 CD1 PHE C 20 83.120 -1.318 5.846 1.00 0.00 C ATOM 312 CD2 PHE C 20 83.705 -3.204 7.253 1.00 0.00 C ATOM 313 CE1 PHE C 20 84.472 -1.128 5.538 1.00 0.00 C ATOM 314 CE2 PHE C 20 85.057 -3.013 6.946 1.00 0.00 C ATOM 315 CZ PHE C 20 85.441 -1.976 6.088 1.00 0.00 C ATOM 0 H PHE C 20 80.173 -2.094 9.249 1.00 0.00 H new ATOM 0 HA PHE C 20 81.396 -0.421 7.241 1.00 0.00 H new ATOM 0 HB2 PHE C 20 81.177 -3.255 7.868 1.00 0.00 H new ATOM 0 HB3 PHE C 20 80.754 -2.992 6.188 1.00 0.00 H new ATOM 0 HD1 PHE C 20 82.372 -0.664 5.422 1.00 0.00 H new ATOM 0 HD2 PHE C 20 83.409 -4.005 7.914 1.00 0.00 H new ATOM 0 HE1 PHE C 20 84.768 -0.327 4.876 1.00 0.00 H new ATOM 0 HE2 PHE C 20 85.805 -3.666 7.371 1.00 0.00 H new ATOM 0 HZ PHE C 20 86.484 -1.830 5.850 1.00 0.00 H new ATOM 325 N LYS C 21 78.422 -1.797 6.683 1.00 0.00 N ATOM 326 CA LYS C 21 77.202 -1.644 5.896 1.00 0.00 C ATOM 327 C LYS C 21 76.812 -0.173 5.835 1.00 0.00 C ATOM 328 O LYS C 21 76.368 0.327 4.801 1.00 0.00 O ATOM 329 CB LYS C 21 76.053 -2.439 6.518 1.00 0.00 C ATOM 330 CG LYS C 21 76.428 -3.920 6.576 1.00 0.00 C ATOM 331 CD LYS C 21 75.233 -4.766 6.129 1.00 0.00 C ATOM 332 CE LYS C 21 74.774 -5.657 7.284 1.00 0.00 C ATOM 333 NZ LYS C 21 73.313 -5.922 7.154 1.00 0.00 N ATOM 0 H LYS C 21 78.415 -2.578 7.339 1.00 0.00 H new ATOM 0 HA LYS C 21 77.392 -2.022 4.892 1.00 0.00 H new ATOM 0 HB2 LYS C 21 75.841 -2.067 7.521 1.00 0.00 H new ATOM 0 HB3 LYS C 21 75.145 -2.306 5.930 1.00 0.00 H new ATOM 0 HG2 LYS C 21 77.286 -4.114 5.933 1.00 0.00 H new ATOM 0 HG3 LYS C 21 76.721 -4.193 7.590 1.00 0.00 H new ATOM 0 HD2 LYS C 21 74.416 -4.119 5.809 1.00 0.00 H new ATOM 0 HD3 LYS C 21 75.509 -5.379 5.271 1.00 0.00 H new ATOM 0 HE2 LYS C 21 75.327 -6.596 7.276 1.00 0.00 H new ATOM 0 HE3 LYS C 21 74.984 -5.172 8.237 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 72.999 -6.528 7.939 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 72.793 -5.022 7.182 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 73.126 -6.402 6.250 1.00 0.00 H new ATOM 347 N ALA C 22 76.991 0.516 6.959 1.00 0.00 N ATOM 348 CA ALA C 22 76.664 1.937 7.032 1.00 0.00 C ATOM 349 C ALA C 22 77.387 2.694 5.926 1.00 0.00 C ATOM 350 O ALA C 22 76.769 3.412 5.139 1.00 0.00 O ATOM 351 CB ALA C 22 77.073 2.515 8.388 1.00 0.00 C ATOM 0 H ALA C 22 77.357 0.118 7.824 1.00 0.00 H new ATOM 0 HA ALA C 22 75.587 2.047 6.909 1.00 0.00 H new ATOM 0 HB1 ALA C 22 76.821 3.575 8.423 1.00 0.00 H new ATOM 0 HB2 ALA C 22 76.543 1.990 9.182 1.00 0.00 H new ATOM 0 HB3 ALA C 22 78.147 2.393 8.527 1.00 0.00 H new ATOM 357 N ALA C 23 78.704 2.517 5.866 1.00 0.00 N ATOM 358 CA ALA C 23 79.499 3.182 4.839 1.00 0.00 C ATOM 359 C ALA C 23 79.012 2.760 3.459 1.00 0.00 C ATOM 360 O ALA C 23 79.190 3.474 2.472 1.00 0.00 O ATOM 361 CB ALA C 23 80.977 2.820 4.981 1.00 0.00 C ATOM 0 H ALA C 23 79.237 1.928 6.506 1.00 0.00 H new ATOM 0 HA ALA C 23 79.385 4.259 4.960 1.00 0.00 H new ATOM 0 HB1 ALA C 23 81.552 3.326 4.206 1.00 0.00 H new ATOM 0 HB2 ALA C 23 81.336 3.133 5.961 1.00 0.00 H new ATOM 0 HB3 ALA C 23 81.099 1.742 4.877 1.00 0.00 H new ATOM 367 N PHE C 24 78.382 1.589 3.407 1.00 0.00 N ATOM 368 CA PHE C 24 77.853 1.073 2.150 1.00 0.00 C ATOM 369 C PHE C 24 76.667 1.920 1.706 1.00 0.00 C ATOM 370 O PHE C 24 76.307 1.952 0.530 1.00 0.00 O ATOM 371 CB PHE C 24 77.391 -0.375 2.318 1.00 0.00 C ATOM 372 CG PHE C 24 78.216 -1.281 1.436 1.00 0.00 C ATOM 373 CD1 PHE C 24 78.291 -1.041 0.059 1.00 0.00 C ATOM 374 CD2 PHE C 24 78.904 -2.364 1.996 1.00 0.00 C ATOM 375 CE1 PHE C 24 79.053 -1.885 -0.758 1.00 0.00 C ATOM 376 CE2 PHE C 24 79.667 -3.207 1.180 1.00 0.00 C ATOM 377 CZ PHE C 24 79.741 -2.968 -0.197 1.00 0.00 C ATOM 0 H PHE C 24 78.227 0.985 4.214 1.00 0.00 H new ATOM 0 HA PHE C 24 78.643 1.114 1.401 1.00 0.00 H new ATOM 0 HB2 PHE C 24 77.489 -0.679 3.360 1.00 0.00 H new ATOM 0 HB3 PHE C 24 76.336 -0.462 2.059 1.00 0.00 H new ATOM 0 HD1 PHE C 24 77.761 -0.205 -0.373 1.00 0.00 H new ATOM 0 HD2 PHE C 24 78.846 -2.549 3.058 1.00 0.00 H new ATOM 0 HE1 PHE C 24 79.110 -1.701 -1.821 1.00 0.00 H new ATOM 0 HE2 PHE C 24 80.198 -4.042 1.613 1.00 0.00 H new ATOM 0 HZ PHE C 24 80.329 -3.619 -0.827 1.00 0.00 H new ATOM 387 N ASP C 25 76.066 2.607 2.673 1.00 0.00 N ATOM 388 CA ASP C 25 74.915 3.459 2.394 1.00 0.00 C ATOM 389 C ASP C 25 75.368 4.848 1.952 1.00 0.00 C ATOM 390 O ASP C 25 74.547 5.724 1.679 1.00 0.00 O ATOM 391 CB ASP C 25 74.042 3.598 3.642 1.00 0.00 C ATOM 392 CG ASP C 25 72.643 3.067 3.349 1.00 0.00 C ATOM 393 OD1 ASP C 25 72.114 3.393 2.299 1.00 0.00 O ATOM 394 OD2 ASP C 25 72.121 2.343 4.180 1.00 0.00 O ATOM 0 H ASP C 25 76.355 2.591 3.651 1.00 0.00 H new ATOM 0 HA ASP C 25 74.340 2.994 1.593 1.00 0.00 H new ATOM 0 HB2 ASP C 25 74.485 3.047 4.471 1.00 0.00 H new ATOM 0 HB3 ASP C 25 73.989 4.643 3.946 1.00 0.00 H new ATOM 399 N ILE C 26 76.684 5.045 1.883 1.00 0.00 N ATOM 400 CA ILE C 26 77.223 6.338 1.471 1.00 0.00 C ATOM 401 C ILE C 26 77.870 6.225 0.095 1.00 0.00 C ATOM 402 O ILE C 26 77.707 7.097 -0.759 1.00 0.00 O ATOM 403 CB ILE C 26 78.256 6.861 2.472 1.00 0.00 C ATOM 404 CG1 ILE C 26 78.173 6.060 3.774 1.00 0.00 C ATOM 405 CG2 ILE C 26 77.963 8.334 2.762 1.00 0.00 C ATOM 406 CD1 ILE C 26 76.827 6.319 4.454 1.00 0.00 C ATOM 0 H ILE C 26 77.386 4.338 2.103 1.00 0.00 H new ATOM 0 HA ILE C 26 76.391 7.042 1.433 1.00 0.00 H new ATOM 0 HB ILE C 26 79.256 6.754 2.053 1.00 0.00 H new ATOM 0 HG12 ILE C 26 78.287 4.996 3.566 1.00 0.00 H new ATOM 0 HG13 ILE C 26 78.988 6.344 4.440 1.00 0.00 H new ATOM 0 HG21 ILE C 26 78.694 8.717 3.475 1.00 0.00 H new ATOM 0 HG22 ILE C 26 78.025 8.906 1.836 1.00 0.00 H new ATOM 0 HG23 ILE C 26 76.962 8.430 3.182 1.00 0.00 H new ATOM 0 HD11 ILE C 26 76.771 5.747 5.380 1.00 0.00 H new ATOM 0 HD12 ILE C 26 76.731 7.382 4.677 1.00 0.00 H new ATOM 0 HD13 ILE C 26 76.019 6.013 3.790 1.00 0.00 H new ATOM 418 N PHE C 27 78.600 5.133 -0.112 1.00 0.00 N ATOM 419 CA PHE C 27 79.265 4.902 -1.391 1.00 0.00 C ATOM 420 C PHE C 27 78.226 4.766 -2.501 1.00 0.00 C ATOM 421 O PHE C 27 78.381 5.319 -3.590 1.00 0.00 O ATOM 422 CB PHE C 27 80.111 3.629 -1.331 1.00 0.00 C ATOM 423 CG PHE C 27 81.314 3.868 -0.449 1.00 0.00 C ATOM 424 CD1 PHE C 27 82.345 4.708 -0.885 1.00 0.00 C ATOM 425 CD2 PHE C 27 81.397 3.252 0.806 1.00 0.00 C ATOM 426 CE1 PHE C 27 83.460 4.931 -0.069 1.00 0.00 C ATOM 427 CE2 PHE C 27 82.512 3.475 1.623 1.00 0.00 C ATOM 428 CZ PHE C 27 83.544 4.315 1.186 1.00 0.00 C ATOM 0 H PHE C 27 78.746 4.400 0.582 1.00 0.00 H new ATOM 0 HA PHE C 27 79.914 5.752 -1.601 1.00 0.00 H new ATOM 0 HB2 PHE C 27 79.518 2.803 -0.940 1.00 0.00 H new ATOM 0 HB3 PHE C 27 80.432 3.344 -2.333 1.00 0.00 H new ATOM 0 HD1 PHE C 27 82.280 5.185 -1.852 1.00 0.00 H new ATOM 0 HD2 PHE C 27 80.601 2.605 1.144 1.00 0.00 H new ATOM 0 HE1 PHE C 27 84.256 5.578 -0.407 1.00 0.00 H new ATOM 0 HE2 PHE C 27 82.576 2.999 2.590 1.00 0.00 H new ATOM 0 HZ PHE C 27 84.404 4.488 1.816 1.00 0.00 H new ATOM 438 N VAL C 28 77.158 4.032 -2.202 1.00 0.00 N ATOM 439 CA VAL C 28 76.081 3.831 -3.169 1.00 0.00 C ATOM 440 C VAL C 28 74.815 4.526 -2.681 1.00 0.00 C ATOM 441 O VAL C 28 73.701 4.043 -2.885 1.00 0.00 O ATOM 442 CB VAL C 28 75.792 2.340 -3.355 1.00 0.00 C ATOM 443 CG1 VAL C 28 76.946 1.684 -4.114 1.00 0.00 C ATOM 444 CG2 VAL C 28 75.642 1.675 -1.984 1.00 0.00 C ATOM 0 H VAL C 28 77.015 3.569 -1.305 1.00 0.00 H new ATOM 0 HA VAL C 28 76.394 4.254 -4.124 1.00 0.00 H new ATOM 0 HB VAL C 28 74.870 2.219 -3.923 1.00 0.00 H new ATOM 0 HG11 VAL C 28 76.738 0.622 -4.245 1.00 0.00 H new ATOM 0 HG12 VAL C 28 77.054 2.156 -5.090 1.00 0.00 H new ATOM 0 HG13 VAL C 28 77.870 1.806 -3.548 1.00 0.00 H new ATOM 0 HG21 VAL C 28 75.436 0.613 -2.115 1.00 0.00 H new ATOM 0 HG22 VAL C 28 76.565 1.798 -1.417 1.00 0.00 H new ATOM 0 HG23 VAL C 28 74.818 2.140 -1.442 1.00 0.00 H new ATOM 454 N LEU C 29 75.006 5.666 -2.023 1.00 0.00 N ATOM 455 CA LEU C 29 73.884 6.432 -1.489 1.00 0.00 C ATOM 456 C LEU C 29 73.095 7.104 -2.613 1.00 0.00 C ATOM 457 O LEU C 29 72.073 7.746 -2.374 1.00 0.00 O ATOM 458 CB LEU C 29 74.395 7.494 -0.507 1.00 0.00 C ATOM 459 CG LEU C 29 74.909 8.716 -1.275 1.00 0.00 C ATOM 460 CD1 LEU C 29 73.777 9.732 -1.433 1.00 0.00 C ATOM 461 CD2 LEU C 29 76.063 9.356 -0.501 1.00 0.00 C ATOM 0 H LEU C 29 75.922 6.078 -1.847 1.00 0.00 H new ATOM 0 HA LEU C 29 73.220 5.744 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU C 29 73.594 7.791 0.170 1.00 0.00 H new ATOM 0 HB3 LEU C 29 75.194 7.078 0.107 1.00 0.00 H new ATOM 0 HG LEU C 29 75.259 8.405 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU C 29 74.142 10.602 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU C 29 72.954 9.277 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU C 29 73.427 10.043 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU C 29 76.429 10.225 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU C 29 75.713 9.667 0.483 1.00 0.00 H new ATOM 0 HD23 LEU C 29 76.870 8.633 -0.387 1.00 0.00 H new ATOM 473 N GLY C 30 73.582 6.950 -3.840 1.00 0.00 N ATOM 474 CA GLY C 30 72.913 7.547 -4.993 1.00 0.00 C ATOM 475 C GLY C 30 72.973 6.614 -6.198 1.00 0.00 C ATOM 476 O GLY C 30 72.686 7.014 -7.326 1.00 0.00 O ATOM 0 H GLY C 30 74.427 6.424 -4.062 1.00 0.00 H new ATOM 0 HA2 GLY C 30 71.873 7.761 -4.745 1.00 0.00 H new ATOM 0 HA3 GLY C 30 73.384 8.498 -5.240 1.00 0.00 H new ATOM 480 N ALA C 31 73.349 5.363 -5.945 1.00 0.00 N ATOM 481 CA ALA C 31 73.444 4.375 -7.016 1.00 0.00 C ATOM 482 C ALA C 31 72.143 3.591 -7.132 1.00 0.00 C ATOM 483 O ALA C 31 71.350 3.530 -6.193 1.00 0.00 O ATOM 484 CB ALA C 31 74.592 3.400 -6.746 1.00 0.00 C ATOM 0 H ALA C 31 73.591 5.012 -5.018 1.00 0.00 H new ATOM 0 HA ALA C 31 73.633 4.907 -7.949 1.00 0.00 H new ATOM 0 HB1 ALA C 31 74.648 2.671 -7.554 1.00 0.00 H new ATOM 0 HB2 ALA C 31 75.531 3.951 -6.688 1.00 0.00 H new ATOM 0 HB3 ALA C 31 74.416 2.883 -5.803 1.00 0.00 H new ATOM 490 N GLU C 32 71.936 2.991 -8.299 1.00 0.00 N ATOM 491 CA GLU C 32 70.729 2.208 -8.542 1.00 0.00 C ATOM 492 C GLU C 32 70.674 1.004 -7.606 1.00 0.00 C ATOM 493 O GLU C 32 69.681 0.782 -6.913 1.00 0.00 O ATOM 494 CB GLU C 32 70.699 1.720 -9.990 1.00 0.00 C ATOM 495 CG GLU C 32 69.290 1.893 -10.561 1.00 0.00 C ATOM 496 CD GLU C 32 69.282 3.050 -11.554 1.00 0.00 C ATOM 497 OE1 GLU C 32 69.706 2.843 -12.679 1.00 0.00 O ATOM 498 OE2 GLU C 32 68.851 4.127 -11.176 1.00 0.00 O ATOM 0 H GLU C 32 72.583 3.031 -9.087 1.00 0.00 H new ATOM 0 HA GLU C 32 69.866 2.847 -8.355 1.00 0.00 H new ATOM 0 HB2 GLU C 32 71.416 2.282 -10.589 1.00 0.00 H new ATOM 0 HB3 GLU C 32 70.995 0.672 -10.037 1.00 0.00 H new ATOM 0 HG2 GLU C 32 68.971 0.975 -11.054 1.00 0.00 H new ATOM 0 HG3 GLU C 32 68.581 2.086 -9.756 1.00 0.00 H new ATOM 505 N ASP C 33 71.755 0.229 -7.594 1.00 0.00 N ATOM 506 CA ASP C 33 71.822 -0.954 -6.739 1.00 0.00 C ATOM 507 C ASP C 33 72.834 -0.745 -5.613 1.00 0.00 C ATOM 508 O ASP C 33 72.496 -0.228 -4.549 1.00 0.00 O ATOM 509 CB ASP C 33 72.221 -2.190 -7.552 1.00 0.00 C ATOM 510 CG ASP C 33 73.052 -1.767 -8.759 1.00 0.00 C ATOM 511 OD1 ASP C 33 73.852 -0.857 -8.613 1.00 0.00 O ATOM 512 OD2 ASP C 33 72.874 -2.356 -9.812 1.00 0.00 O ATOM 0 H ASP C 33 72.588 0.395 -8.159 1.00 0.00 H new ATOM 0 HA ASP C 33 70.832 -1.112 -6.311 1.00 0.00 H new ATOM 0 HB2 ASP C 33 72.792 -2.878 -6.929 1.00 0.00 H new ATOM 0 HB3 ASP C 33 71.329 -2.724 -7.881 1.00 0.00 H new ATOM 517 N GLY C 34 74.079 -1.151 -5.857 1.00 0.00 N ATOM 518 CA GLY C 34 75.125 -0.999 -4.850 1.00 0.00 C ATOM 519 C GLY C 34 76.494 -0.887 -5.509 1.00 0.00 C ATOM 520 O GLY C 34 77.514 -1.248 -4.922 1.00 0.00 O ATOM 0 H GLY C 34 74.384 -1.581 -6.730 1.00 0.00 H new ATOM 0 HA2 GLY C 34 74.932 -0.111 -4.249 1.00 0.00 H new ATOM 0 HA3 GLY C 34 75.111 -1.852 -4.172 1.00 0.00 H new ATOM 524 N CYS C 35 76.504 -0.380 -6.739 1.00 0.00 N ATOM 525 CA CYS C 35 77.755 -0.221 -7.474 1.00 0.00 C ATOM 526 C CYS C 35 78.349 1.159 -7.214 1.00 0.00 C ATOM 527 O CYS C 35 77.676 2.179 -7.365 1.00 0.00 O ATOM 528 CB CYS C 35 77.521 -0.390 -8.977 1.00 0.00 C ATOM 529 SG CYS C 35 76.360 -1.750 -9.257 1.00 0.00 S ATOM 0 H CYS C 35 75.671 -0.076 -7.243 1.00 0.00 H new ATOM 0 HA CYS C 35 78.449 -0.988 -7.130 1.00 0.00 H new ATOM 0 HB2 CYS C 35 77.125 0.533 -9.400 1.00 0.00 H new ATOM 0 HB3 CYS C 35 78.465 -0.594 -9.482 1.00 0.00 H new ATOM 0 HG CYS C 35 75.152 -1.278 -9.348 1.00 0.00 H new ATOM 535 N ILE C 36 79.617 1.178 -6.818 1.00 0.00 N ATOM 536 CA ILE C 36 80.298 2.437 -6.533 1.00 0.00 C ATOM 537 C ILE C 36 81.102 2.898 -7.744 1.00 0.00 C ATOM 538 O ILE C 36 81.565 2.088 -8.547 1.00 0.00 O ATOM 539 CB ILE C 36 81.243 2.280 -5.341 1.00 0.00 C ATOM 540 CG1 ILE C 36 80.562 1.445 -4.255 1.00 0.00 C ATOM 541 CG2 ILE C 36 81.588 3.659 -4.779 1.00 0.00 C ATOM 542 CD1 ILE C 36 81.586 1.071 -3.181 1.00 0.00 C ATOM 0 H ILE C 36 80.190 0.344 -6.688 1.00 0.00 H new ATOM 0 HA ILE C 36 79.537 3.181 -6.298 1.00 0.00 H new ATOM 0 HB ILE C 36 82.155 1.780 -5.666 1.00 0.00 H new ATOM 0 HG12 ILE C 36 79.741 2.008 -3.810 1.00 0.00 H new ATOM 0 HG13 ILE C 36 80.131 0.544 -4.691 1.00 0.00 H new ATOM 0 HG21 ILE C 36 82.262 3.548 -3.929 1.00 0.00 H new ATOM 0 HG22 ILE C 36 82.074 4.256 -5.551 1.00 0.00 H new ATOM 0 HG23 ILE C 36 80.675 4.159 -4.455 1.00 0.00 H new ATOM 0 HD11 ILE C 36 81.101 0.476 -2.407 1.00 0.00 H new ATOM 0 HD12 ILE C 36 82.392 0.492 -3.632 1.00 0.00 H new ATOM 0 HD13 ILE C 36 81.996 1.978 -2.737 1.00 0.00 H new ATOM 554 N SER C 37 81.265 4.211 -7.859 1.00 0.00 N ATOM 555 CA SER C 37 82.019 4.782 -8.970 1.00 0.00 C ATOM 556 C SER C 37 82.994 5.836 -8.456 1.00 0.00 C ATOM 557 O SER C 37 83.050 6.115 -7.258 1.00 0.00 O ATOM 558 CB SER C 37 81.073 5.429 -9.982 1.00 0.00 C ATOM 559 OG SER C 37 80.617 6.674 -9.470 1.00 0.00 O ATOM 0 H SER C 37 80.889 4.896 -7.203 1.00 0.00 H new ATOM 0 HA SER C 37 82.571 3.978 -9.456 1.00 0.00 H new ATOM 0 HB2 SER C 37 81.586 5.579 -10.932 1.00 0.00 H new ATOM 0 HB3 SER C 37 80.226 4.771 -10.178 1.00 0.00 H new ATOM 0 HG SER C 37 80.012 7.092 -10.117 1.00 0.00 H new ATOM 565 N THR C 38 83.759 6.422 -9.373 1.00 0.00 N ATOM 566 CA THR C 38 84.726 7.449 -8.992 1.00 0.00 C ATOM 567 C THR C 38 83.999 8.698 -8.508 1.00 0.00 C ATOM 568 O THR C 38 84.546 9.502 -7.753 1.00 0.00 O ATOM 569 CB THR C 38 85.624 7.820 -10.175 1.00 0.00 C ATOM 570 OG1 THR C 38 85.019 8.871 -10.915 1.00 0.00 O ATOM 571 CG2 THR C 38 85.815 6.602 -11.078 1.00 0.00 C ATOM 0 H THR C 38 83.731 6.209 -10.370 1.00 0.00 H new ATOM 0 HA THR C 38 85.345 7.047 -8.190 1.00 0.00 H new ATOM 0 HB THR C 38 86.595 8.148 -9.804 1.00 0.00 H new ATOM 0 HG1 THR C 38 85.593 9.111 -11.672 1.00 0.00 H new ATOM 0 HG21 THR C 38 86.455 6.869 -11.919 1.00 0.00 H new ATOM 0 HG22 THR C 38 86.281 5.797 -10.509 1.00 0.00 H new ATOM 0 HG23 THR C 38 84.846 6.270 -11.450 1.00 0.00 H new ATOM 579 N LYS C 39 82.754 8.846 -8.950 1.00 0.00 N ATOM 580 CA LYS C 39 81.946 9.996 -8.554 1.00 0.00 C ATOM 581 C LYS C 39 81.444 9.816 -7.125 1.00 0.00 C ATOM 582 O LYS C 39 81.509 10.734 -6.307 1.00 0.00 O ATOM 583 CB LYS C 39 80.744 10.157 -9.487 1.00 0.00 C ATOM 584 CG LYS C 39 80.334 11.630 -9.547 1.00 0.00 C ATOM 585 CD LYS C 39 79.705 11.929 -10.909 1.00 0.00 C ATOM 586 CE LYS C 39 79.921 13.401 -11.263 1.00 0.00 C ATOM 587 NZ LYS C 39 79.093 13.752 -12.452 1.00 0.00 N ATOM 0 H LYS C 39 82.286 8.191 -9.576 1.00 0.00 H new ATOM 0 HA LYS C 39 82.571 10.887 -8.616 1.00 0.00 H new ATOM 0 HB2 LYS C 39 80.995 9.798 -10.485 1.00 0.00 H new ATOM 0 HB3 LYS C 39 79.911 9.551 -9.131 1.00 0.00 H new ATOM 0 HG2 LYS C 39 79.625 11.854 -8.750 1.00 0.00 H new ATOM 0 HG3 LYS C 39 81.204 12.267 -9.388 1.00 0.00 H new ATOM 0 HD2 LYS C 39 80.149 11.292 -11.674 1.00 0.00 H new ATOM 0 HD3 LYS C 39 78.639 11.703 -10.886 1.00 0.00 H new ATOM 0 HE2 LYS C 39 79.649 14.033 -10.418 1.00 0.00 H new ATOM 0 HE3 LYS C 39 80.975 13.585 -11.473 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 79.239 14.753 -12.694 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 79.373 13.157 -13.258 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 78.089 13.591 -12.235 1.00 0.00 H new ATOM 601 N GLU C 40 80.946 8.617 -6.835 1.00 0.00 N ATOM 602 CA GLU C 40 80.436 8.315 -5.501 1.00 0.00 C ATOM 603 C GLU C 40 81.580 8.271 -4.494 1.00 0.00 C ATOM 604 O GLU C 40 81.475 8.801 -3.388 1.00 0.00 O ATOM 605 CB GLU C 40 79.715 6.964 -5.499 1.00 0.00 C ATOM 606 CG GLU C 40 78.221 7.180 -5.751 1.00 0.00 C ATOM 607 CD GLU C 40 77.630 8.016 -4.622 1.00 0.00 C ATOM 608 OE1 GLU C 40 78.159 7.952 -3.525 1.00 0.00 O ATOM 609 OE2 GLU C 40 76.656 8.707 -4.871 1.00 0.00 O ATOM 0 H GLU C 40 80.885 7.845 -7.499 1.00 0.00 H new ATOM 0 HA GLU C 40 79.735 9.100 -5.220 1.00 0.00 H new ATOM 0 HB2 GLU C 40 80.134 6.315 -6.268 1.00 0.00 H new ATOM 0 HB3 GLU C 40 79.864 6.462 -4.543 1.00 0.00 H new ATOM 0 HG2 GLU C 40 78.072 7.683 -6.707 1.00 0.00 H new ATOM 0 HG3 GLU C 40 77.709 6.220 -5.813 1.00 0.00 H new ATOM 616 N LEU C 41 82.679 7.635 -4.892 1.00 0.00 N ATOM 617 CA LEU C 41 83.845 7.528 -4.019 1.00 0.00 C ATOM 618 C LEU C 41 84.155 8.879 -3.384 1.00 0.00 C ATOM 619 O LEU C 41 83.994 9.067 -2.178 1.00 0.00 O ATOM 620 CB LEU C 41 85.067 7.060 -4.813 1.00 0.00 C ATOM 621 CG LEU C 41 85.709 5.864 -4.109 1.00 0.00 C ATOM 622 CD1 LEU C 41 85.966 6.211 -2.641 1.00 0.00 C ATOM 623 CD2 LEU C 41 84.770 4.660 -4.191 1.00 0.00 C ATOM 0 H LEU C 41 82.787 7.190 -5.804 1.00 0.00 H new ATOM 0 HA LEU C 41 83.619 6.800 -3.240 1.00 0.00 H new ATOM 0 HB2 LEU C 41 84.772 6.783 -5.825 1.00 0.00 H new ATOM 0 HB3 LEU C 41 85.788 7.872 -4.902 1.00 0.00 H new ATOM 0 HG LEU C 41 86.654 5.622 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU C 41 86.424 5.358 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU C 41 86.636 7.069 -2.582 1.00 0.00 H new ATOM 0 HD13 LEU C 41 85.022 6.454 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU C 41 85.227 3.807 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU C 41 83.824 4.902 -3.706 1.00 0.00 H new ATOM 0 HD23 LEU C 41 84.588 4.411 -5.236 1.00 0.00 H new ATOM 635 N GLY C 42 84.600 9.820 -4.213 1.00 0.00 N ATOM 636 CA GLY C 42 84.929 11.156 -3.726 1.00 0.00 C ATOM 637 C GLY C 42 83.906 11.619 -2.696 1.00 0.00 C ATOM 638 O GLY C 42 84.233 12.344 -1.756 1.00 0.00 O ATOM 0 H GLY C 42 84.740 9.684 -5.214 1.00 0.00 H new ATOM 0 HA2 GLY C 42 85.924 11.152 -3.281 1.00 0.00 H new ATOM 0 HA3 GLY C 42 84.955 11.857 -4.560 1.00 0.00 H new ATOM 642 N LYS C 43 82.660 11.190 -2.884 1.00 0.00 N ATOM 643 CA LYS C 43 81.588 11.565 -1.964 1.00 0.00 C ATOM 644 C LYS C 43 81.929 11.126 -0.545 1.00 0.00 C ATOM 645 O LYS C 43 81.948 11.934 0.383 1.00 0.00 O ATOM 646 CB LYS C 43 80.268 10.914 -2.381 1.00 0.00 C ATOM 647 CG LYS C 43 79.123 11.909 -2.182 1.00 0.00 C ATOM 648 CD LYS C 43 79.216 13.011 -3.238 1.00 0.00 C ATOM 649 CE LYS C 43 77.838 13.645 -3.435 1.00 0.00 C ATOM 650 NZ LYS C 43 77.559 13.786 -4.892 1.00 0.00 N ATOM 0 H LYS C 43 82.369 10.589 -3.656 1.00 0.00 H new ATOM 0 HA LYS C 43 81.483 12.649 -1.996 1.00 0.00 H new ATOM 0 HB2 LYS C 43 80.317 10.604 -3.425 1.00 0.00 H new ATOM 0 HB3 LYS C 43 80.090 10.016 -1.790 1.00 0.00 H new ATOM 0 HG2 LYS C 43 78.164 11.397 -2.259 1.00 0.00 H new ATOM 0 HG3 LYS C 43 79.173 12.343 -1.183 1.00 0.00 H new ATOM 0 HD2 LYS C 43 79.935 13.768 -2.927 1.00 0.00 H new ATOM 0 HD3 LYS C 43 79.576 12.597 -4.180 1.00 0.00 H new ATOM 0 HE2 LYS C 43 77.072 13.028 -2.965 1.00 0.00 H new ATOM 0 HE3 LYS C 43 77.803 14.621 -2.951 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 76.622 14.217 -5.026 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 78.284 14.391 -5.327 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 77.576 12.848 -5.341 1.00 0.00 H new ATOM 664 N VAL C 44 82.198 9.833 -0.387 1.00 0.00 N ATOM 665 CA VAL C 44 82.538 9.292 0.926 1.00 0.00 C ATOM 666 C VAL C 44 83.842 9.902 1.429 1.00 0.00 C ATOM 667 O VAL C 44 83.886 10.518 2.494 1.00 0.00 O ATOM 668 CB VAL C 44 82.692 7.771 0.857 1.00 0.00 C ATOM 669 CG1 VAL C 44 83.051 7.231 2.242 1.00 0.00 C ATOM 670 CG2 VAL C 44 81.375 7.145 0.391 1.00 0.00 C ATOM 0 H VAL C 44 82.188 9.147 -1.142 1.00 0.00 H new ATOM 0 HA VAL C 44 81.730 9.542 1.613 1.00 0.00 H new ATOM 0 HB VAL C 44 83.484 7.518 0.152 1.00 0.00 H new ATOM 0 HG11 VAL C 44 83.161 6.148 2.193 1.00 0.00 H new ATOM 0 HG12 VAL C 44 83.989 7.676 2.574 1.00 0.00 H new ATOM 0 HG13 VAL C 44 82.260 7.484 2.948 1.00 0.00 H new ATOM 0 HG21 VAL C 44 81.484 6.062 0.342 1.00 0.00 H new ATOM 0 HG22 VAL C 44 80.583 7.398 1.095 1.00 0.00 H new ATOM 0 HG23 VAL C 44 81.119 7.529 -0.596 1.00 0.00 H new ATOM 680 N MET C 45 84.904 9.725 0.648 1.00 0.00 N ATOM 681 CA MET C 45 86.210 10.263 1.020 1.00 0.00 C ATOM 682 C MET C 45 86.058 11.647 1.642 1.00 0.00 C ATOM 683 O MET C 45 86.541 11.906 2.744 1.00 0.00 O ATOM 684 CB MET C 45 87.116 10.369 -0.209 1.00 0.00 C ATOM 685 CG MET C 45 87.489 8.968 -0.694 1.00 0.00 C ATOM 686 SD MET C 45 89.222 8.633 -0.294 1.00 0.00 S ATOM 687 CE MET C 45 88.937 7.869 1.321 1.00 0.00 C ATOM 0 H MET C 45 84.888 9.219 -0.237 1.00 0.00 H new ATOM 0 HA MET C 45 86.658 9.584 1.745 1.00 0.00 H new ATOM 0 HB2 MET C 45 86.607 10.916 -1.003 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.017 10.931 0.038 1.00 0.00 H new ATOM 0 HG2 MET C 45 86.846 8.225 -0.223 1.00 0.00 H new ATOM 0 HG3 MET C 45 87.331 8.890 -1.770 1.00 0.00 H new ATOM 0 HE1 MET C 45 89.826 7.315 1.623 1.00 0.00 H new ATOM 0 HE2 MET C 45 88.725 8.644 2.058 1.00 0.00 H new ATOM 0 HE3 MET C 45 88.089 7.187 1.256 1.00 0.00 H new ATOM 697 N ARG C 46 85.382 12.534 0.918 1.00 0.00 N ATOM 698 CA ARG C 46 85.170 13.896 1.400 1.00 0.00 C ATOM 699 C ARG C 46 84.633 13.885 2.828 1.00 0.00 C ATOM 700 O ARG C 46 84.968 14.750 3.639 1.00 0.00 O ATOM 701 CB ARG C 46 84.175 14.632 0.501 1.00 0.00 C ATOM 702 CG ARG C 46 84.701 16.036 0.204 1.00 0.00 C ATOM 703 CD ARG C 46 83.561 16.905 -0.330 1.00 0.00 C ATOM 704 NE ARG C 46 84.087 18.117 -0.951 1.00 0.00 N ATOM 705 CZ ARG C 46 83.314 18.887 -1.712 1.00 0.00 C ATOM 706 NH1 ARG C 46 82.068 18.559 -1.918 1.00 0.00 N ATOM 707 NH2 ARG C 46 83.801 19.968 -2.253 1.00 0.00 N ATOM 0 H ARG C 46 84.975 12.338 0.004 1.00 0.00 H new ATOM 0 HA ARG C 46 86.131 14.410 1.380 1.00 0.00 H new ATOM 0 HB2 ARG C 46 84.032 14.081 -0.429 1.00 0.00 H new ATOM 0 HB3 ARG C 46 83.202 14.692 0.989 1.00 0.00 H new ATOM 0 HG2 ARG C 46 85.117 16.479 1.109 1.00 0.00 H new ATOM 0 HG3 ARG C 46 85.508 15.987 -0.527 1.00 0.00 H new ATOM 0 HD2 ARG C 46 82.977 16.341 -1.057 1.00 0.00 H new ATOM 0 HD3 ARG C 46 82.886 17.170 0.484 1.00 0.00 H new ATOM 0 HE ARG C 46 85.061 18.377 -0.799 1.00 0.00 H new ATOM 0 HH11 ARG C 46 81.687 17.712 -1.496 1.00 0.00 H new ATOM 0 HH12 ARG C 46 81.475 19.149 -2.501 1.00 0.00 H new ATOM 0 HH21 ARG C 46 84.775 20.224 -2.093 1.00 0.00 H new ATOM 0 HH22 ARG C 46 83.208 20.558 -2.836 1.00 0.00 H new ATOM 721 N MET C 47 83.794 12.899 3.126 1.00 0.00 N ATOM 722 CA MET C 47 83.212 12.786 4.462 1.00 0.00 C ATOM 723 C MET C 47 84.151 12.031 5.400 1.00 0.00 C ATOM 724 O MET C 47 83.875 11.888 6.591 1.00 0.00 O ATOM 725 CB MET C 47 81.873 12.049 4.401 1.00 0.00 C ATOM 726 CG MET C 47 80.862 12.889 3.619 1.00 0.00 C ATOM 727 SD MET C 47 79.250 12.817 4.441 1.00 0.00 S ATOM 728 CE MET C 47 78.839 11.115 3.988 1.00 0.00 C ATOM 0 H MET C 47 83.503 12.174 2.471 1.00 0.00 H new ATOM 0 HA MET C 47 83.057 13.795 4.843 1.00 0.00 H new ATOM 0 HB2 MET C 47 82.002 11.078 3.923 1.00 0.00 H new ATOM 0 HB3 MET C 47 81.503 11.861 5.409 1.00 0.00 H new ATOM 0 HG2 MET C 47 81.204 13.922 3.556 1.00 0.00 H new ATOM 0 HG3 MET C 47 80.778 12.518 2.598 1.00 0.00 H new ATOM 0 HE1 MET C 47 77.918 11.106 3.405 1.00 0.00 H new ATOM 0 HE2 MET C 47 79.649 10.691 3.394 1.00 0.00 H new ATOM 0 HE3 MET C 47 78.702 10.521 4.892 1.00 0.00 H new ATOM 738 N LEU C 48 85.264 11.545 4.852 1.00 0.00 N ATOM 739 CA LEU C 48 86.233 10.802 5.654 1.00 0.00 C ATOM 740 C LEU C 48 87.470 11.652 5.938 1.00 0.00 C ATOM 741 O LEU C 48 88.454 11.170 6.499 1.00 0.00 O ATOM 742 CB LEU C 48 86.662 9.526 4.927 1.00 0.00 C ATOM 743 CG LEU C 48 85.628 8.425 5.171 1.00 0.00 C ATOM 744 CD1 LEU C 48 84.339 8.756 4.419 1.00 0.00 C ATOM 745 CD2 LEU C 48 86.180 7.089 4.669 1.00 0.00 C ATOM 0 H LEU C 48 85.515 11.651 3.869 1.00 0.00 H new ATOM 0 HA LEU C 48 85.753 10.542 6.597 1.00 0.00 H new ATOM 0 HB2 LEU C 48 86.758 9.719 3.858 1.00 0.00 H new ATOM 0 HB3 LEU C 48 87.641 9.205 5.282 1.00 0.00 H new ATOM 0 HG LEU C 48 85.417 8.356 6.238 1.00 0.00 H new ATOM 0 HD11 LEU C 48 83.604 7.971 4.594 1.00 0.00 H new ATOM 0 HD12 LEU C 48 83.945 9.708 4.774 1.00 0.00 H new ATOM 0 HD13 LEU C 48 84.548 8.826 3.352 1.00 0.00 H new ATOM 0 HD21 LEU C 48 85.445 6.303 4.842 1.00 0.00 H new ATOM 0 HD22 LEU C 48 86.391 7.160 3.602 1.00 0.00 H new ATOM 0 HD23 LEU C 48 87.099 6.850 5.205 1.00 0.00 H new ATOM 757 N GLY C 49 87.410 12.923 5.549 1.00 0.00 N ATOM 758 CA GLY C 49 88.534 13.829 5.774 1.00 0.00 C ATOM 759 C GLY C 49 89.505 13.794 4.598 1.00 0.00 C ATOM 760 O GLY C 49 90.646 14.244 4.704 1.00 0.00 O ATOM 0 H GLY C 49 86.607 13.345 5.083 1.00 0.00 H new ATOM 0 HA2 GLY C 49 88.165 14.845 5.916 1.00 0.00 H new ATOM 0 HA3 GLY C 49 89.055 13.548 6.689 1.00 0.00 H new ATOM 764 N GLN C 50 89.039 13.257 3.475 1.00 0.00 N ATOM 765 CA GLN C 50 89.875 13.169 2.280 1.00 0.00 C ATOM 766 C GLN C 50 89.139 13.745 1.075 1.00 0.00 C ATOM 767 O GLN C 50 87.963 13.459 0.853 1.00 0.00 O ATOM 768 CB GLN C 50 90.245 11.714 1.989 1.00 0.00 C ATOM 769 CG GLN C 50 90.727 11.041 3.276 1.00 0.00 C ATOM 770 CD GLN C 50 92.239 10.850 3.215 1.00 0.00 C ATOM 771 OE1 GLN C 50 92.993 11.823 3.193 1.00 0.00 O ATOM 772 NE2 GLN C 50 92.732 9.643 3.187 1.00 0.00 N ATOM 0 H GLN C 50 88.098 12.880 3.366 1.00 0.00 H new ATOM 0 HA GLN C 50 90.784 13.743 2.462 1.00 0.00 H new ATOM 0 HB2 GLN C 50 89.382 11.182 1.589 1.00 0.00 H new ATOM 0 HB3 GLN C 50 91.026 11.671 1.230 1.00 0.00 H new ATOM 0 HG2 GLN C 50 90.461 11.651 4.139 1.00 0.00 H new ATOM 0 HG3 GLN C 50 90.233 10.078 3.402 1.00 0.00 H new ATOM 0 HE21 GLN C 50 92.108 8.837 3.205 1.00 0.00 H new ATOM 0 HE22 GLN C 50 93.742 9.505 3.147 1.00 0.00 H new ATOM 781 N ASN C 51 89.846 14.562 0.300 1.00 0.00 N ATOM 782 CA ASN C 51 89.250 15.176 -0.883 1.00 0.00 C ATOM 783 C ASN C 51 90.109 14.908 -2.114 1.00 0.00 C ATOM 784 O ASN C 51 90.867 15.769 -2.561 1.00 0.00 O ATOM 785 CB ASN C 51 89.113 16.687 -0.692 1.00 0.00 C ATOM 786 CG ASN C 51 88.172 17.249 -1.752 1.00 0.00 C ATOM 787 OD1 ASN C 51 87.006 17.528 -1.471 1.00 0.00 O ATOM 788 ND2 ASN C 51 88.612 17.432 -2.967 1.00 0.00 N ATOM 0 H ASN C 51 90.821 14.812 0.466 1.00 0.00 H new ATOM 0 HA ASN C 51 88.263 14.737 -1.026 1.00 0.00 H new ATOM 0 HB2 ASN C 51 88.728 16.905 0.304 1.00 0.00 H new ATOM 0 HB3 ASN C 51 90.090 17.164 -0.768 1.00 0.00 H new ATOM 0 HD21 ASN C 51 87.990 17.806 -3.684 1.00 0.00 H new ATOM 0 HD22 ASN C 51 89.578 17.201 -3.200 1.00 0.00 H new ATOM 795 N PRO C 52 89.991 13.706 -2.672 1.00 0.00 N ATOM 796 CA PRO C 52 90.754 13.306 -3.866 1.00 0.00 C ATOM 797 C PRO C 52 90.117 13.810 -5.159 1.00 0.00 C ATOM 798 O PRO C 52 89.128 14.544 -5.135 1.00 0.00 O ATOM 799 CB PRO C 52 90.693 11.786 -3.790 1.00 0.00 C ATOM 800 CG PRO C 52 89.460 11.431 -2.965 1.00 0.00 C ATOM 801 CD PRO C 52 89.086 12.669 -2.143 1.00 0.00 C ATOM 0 HA PRO C 52 91.764 13.716 -3.881 1.00 0.00 H new ATOM 0 HB2 PRO C 52 90.628 11.352 -4.788 1.00 0.00 H new ATOM 0 HB3 PRO C 52 91.595 11.386 -3.327 1.00 0.00 H new ATOM 0 HG2 PRO C 52 88.635 11.138 -3.614 1.00 0.00 H new ATOM 0 HG3 PRO C 52 89.667 10.584 -2.311 1.00 0.00 H new ATOM 0 HD2 PRO C 52 88.039 12.941 -2.277 1.00 0.00 H new ATOM 0 HD3 PRO C 52 89.239 12.506 -1.076 1.00 0.00 H new ATOM 809 N THR C 53 90.692 13.406 -6.288 1.00 0.00 N ATOM 810 CA THR C 53 90.168 13.821 -7.588 1.00 0.00 C ATOM 811 C THR C 53 89.573 12.621 -8.318 1.00 0.00 C ATOM 812 O THR C 53 89.621 11.492 -7.829 1.00 0.00 O ATOM 813 CB THR C 53 91.273 14.447 -8.458 1.00 0.00 C ATOM 814 OG1 THR C 53 91.630 13.547 -9.498 1.00 0.00 O ATOM 815 CG2 THR C 53 92.509 14.755 -7.608 1.00 0.00 C ATOM 0 H THR C 53 91.511 12.799 -6.331 1.00 0.00 H new ATOM 0 HA THR C 53 89.395 14.569 -7.414 1.00 0.00 H new ATOM 0 HB THR C 53 90.896 15.375 -8.888 1.00 0.00 H new ATOM 0 HG1 THR C 53 91.987 14.051 -10.259 1.00 0.00 H new ATOM 0 HG21 THR C 53 93.282 15.197 -8.237 1.00 0.00 H new ATOM 0 HG22 THR C 53 92.241 15.455 -6.816 1.00 0.00 H new ATOM 0 HG23 THR C 53 92.885 13.833 -7.165 1.00 0.00 H new ATOM 823 N PRO C 54 89.008 12.859 -9.499 1.00 0.00 N ATOM 824 CA PRO C 54 88.396 11.795 -10.314 1.00 0.00 C ATOM 825 C PRO C 54 89.426 10.994 -11.105 1.00 0.00 C ATOM 826 O PRO C 54 89.122 9.936 -11.655 1.00 0.00 O ATOM 827 CB PRO C 54 87.491 12.587 -11.250 1.00 0.00 C ATOM 828 CG PRO C 54 88.059 14.000 -11.329 1.00 0.00 C ATOM 829 CD PRO C 54 88.945 14.207 -10.095 1.00 0.00 C ATOM 0 HA PRO C 54 87.879 11.049 -9.711 1.00 0.00 H new ATOM 0 HB2 PRO C 54 87.461 12.127 -12.238 1.00 0.00 H new ATOM 0 HB3 PRO C 54 86.468 12.603 -10.875 1.00 0.00 H new ATOM 0 HG2 PRO C 54 88.638 14.131 -12.243 1.00 0.00 H new ATOM 0 HG3 PRO C 54 87.255 14.736 -11.353 1.00 0.00 H new ATOM 0 HD2 PRO C 54 89.935 14.575 -10.366 1.00 0.00 H new ATOM 0 HD3 PRO C 54 88.513 14.933 -9.406 1.00 0.00 H new ATOM 837 N GLU C 55 90.650 11.512 -11.156 1.00 0.00 N ATOM 838 CA GLU C 55 91.721 10.837 -11.882 1.00 0.00 C ATOM 839 C GLU C 55 92.409 9.806 -10.987 1.00 0.00 C ATOM 840 O GLU C 55 92.806 8.734 -11.442 1.00 0.00 O ATOM 841 CB GLU C 55 92.755 11.853 -12.384 1.00 0.00 C ATOM 842 CG GLU C 55 93.705 12.243 -11.247 1.00 0.00 C ATOM 843 CD GLU C 55 94.395 13.559 -11.588 1.00 0.00 C ATOM 844 OE1 GLU C 55 94.641 13.789 -12.760 1.00 0.00 O ATOM 845 OE2 GLU C 55 94.668 14.317 -10.672 1.00 0.00 O ATOM 0 H GLU C 55 90.923 12.387 -10.709 1.00 0.00 H new ATOM 0 HA GLU C 55 91.279 10.327 -12.738 1.00 0.00 H new ATOM 0 HB2 GLU C 55 93.322 11.428 -13.212 1.00 0.00 H new ATOM 0 HB3 GLU C 55 92.249 12.740 -12.766 1.00 0.00 H new ATOM 0 HG2 GLU C 55 93.151 12.342 -10.314 1.00 0.00 H new ATOM 0 HG3 GLU C 55 94.448 11.460 -11.095 1.00 0.00 H new ATOM 852 N GLU C 56 92.546 10.149 -9.708 1.00 0.00 N ATOM 853 CA GLU C 56 93.189 9.250 -8.753 1.00 0.00 C ATOM 854 C GLU C 56 92.161 8.315 -8.123 1.00 0.00 C ATOM 855 O GLU C 56 92.506 7.258 -7.593 1.00 0.00 O ATOM 856 CB GLU C 56 93.881 10.051 -7.647 1.00 0.00 C ATOM 857 CG GLU C 56 94.975 10.927 -8.260 1.00 0.00 C ATOM 858 CD GLU C 56 95.429 11.964 -7.238 1.00 0.00 C ATOM 859 OE1 GLU C 56 95.797 11.568 -6.145 1.00 0.00 O ATOM 860 OE2 GLU C 56 95.401 13.139 -7.565 1.00 0.00 O ATOM 0 H GLU C 56 92.224 11.032 -9.312 1.00 0.00 H new ATOM 0 HA GLU C 56 93.931 8.661 -9.293 1.00 0.00 H new ATOM 0 HB2 GLU C 56 93.154 10.672 -7.124 1.00 0.00 H new ATOM 0 HB3 GLU C 56 94.313 9.375 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU C 56 95.819 10.310 -8.568 1.00 0.00 H new ATOM 0 HG3 GLU C 56 94.600 11.423 -9.155 1.00 0.00 H new ATOM 867 N LEU C 57 90.894 8.713 -8.189 1.00 0.00 N ATOM 868 CA LEU C 57 89.821 7.899 -7.623 1.00 0.00 C ATOM 869 C LEU C 57 89.598 6.652 -8.473 1.00 0.00 C ATOM 870 O LEU C 57 89.465 5.544 -7.955 1.00 0.00 O ATOM 871 CB LEU C 57 88.517 8.696 -7.556 1.00 0.00 C ATOM 872 CG LEU C 57 88.330 9.254 -6.144 1.00 0.00 C ATOM 873 CD1 LEU C 57 86.981 9.968 -6.052 1.00 0.00 C ATOM 874 CD2 LEU C 57 88.368 8.106 -5.132 1.00 0.00 C ATOM 0 H LEU C 57 90.586 9.583 -8.623 1.00 0.00 H new ATOM 0 HA LEU C 57 90.117 7.607 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU C 57 88.539 9.510 -8.280 1.00 0.00 H new ATOM 0 HB3 LEU C 57 87.674 8.057 -7.820 1.00 0.00 H new ATOM 0 HG LEU C 57 89.131 9.960 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU C 57 86.848 10.366 -5.046 1.00 0.00 H new ATOM 0 HD12 LEU C 57 86.952 10.786 -6.772 1.00 0.00 H new ATOM 0 HD13 LEU C 57 86.180 9.262 -6.272 1.00 0.00 H new ATOM 0 HD21 LEU C 57 88.235 8.503 -4.126 1.00 0.00 H new ATOM 0 HD22 LEU C 57 87.567 7.400 -5.352 1.00 0.00 H new ATOM 0 HD23 LEU C 57 89.329 7.596 -5.196 1.00 0.00 H new ATOM 886 N GLN C 58 89.559 6.848 -9.789 1.00 0.00 N ATOM 887 CA GLN C 58 89.351 5.734 -10.710 1.00 0.00 C ATOM 888 C GLN C 58 90.254 4.562 -10.342 1.00 0.00 C ATOM 889 O GLN C 58 89.871 3.400 -10.473 1.00 0.00 O ATOM 890 CB GLN C 58 89.654 6.164 -12.148 1.00 0.00 C ATOM 891 CG GLN C 58 89.584 4.947 -13.073 1.00 0.00 C ATOM 892 CD GLN C 58 88.128 4.535 -13.266 1.00 0.00 C ATOM 893 OE1 GLN C 58 87.758 3.394 -12.990 1.00 0.00 O ATOM 894 NE2 GLN C 58 87.272 5.404 -13.729 1.00 0.00 N ATOM 0 H GLN C 58 89.667 7.758 -10.238 1.00 0.00 H new ATOM 0 HA GLN C 58 88.308 5.426 -10.635 1.00 0.00 H new ATOM 0 HB2 GLN C 58 88.938 6.920 -12.471 1.00 0.00 H new ATOM 0 HB3 GLN C 58 90.644 6.618 -12.202 1.00 0.00 H new ATOM 0 HG2 GLN C 58 90.037 5.183 -14.036 1.00 0.00 H new ATOM 0 HG3 GLN C 58 90.153 4.121 -12.647 1.00 0.00 H new ATOM 0 HE21 GLN C 58 87.578 6.350 -13.958 1.00 0.00 H new ATOM 0 HE22 GLN C 58 86.296 5.138 -13.862 1.00 0.00 H new ATOM 903 N GLU C 59 91.461 4.880 -9.882 1.00 0.00 N ATOM 904 CA GLU C 59 92.414 3.842 -9.500 1.00 0.00 C ATOM 905 C GLU C 59 91.838 2.970 -8.389 1.00 0.00 C ATOM 906 O GLU C 59 92.289 1.847 -8.165 1.00 0.00 O ATOM 907 CB GLU C 59 93.724 4.468 -9.016 1.00 0.00 C ATOM 908 CG GLU C 59 94.879 3.503 -9.287 1.00 0.00 C ATOM 909 CD GLU C 59 96.190 4.279 -9.345 1.00 0.00 C ATOM 910 OE1 GLU C 59 96.168 5.464 -9.053 1.00 0.00 O ATOM 911 OE2 GLU C 59 97.197 3.678 -9.681 1.00 0.00 O ATOM 0 H GLU C 59 91.799 5.835 -9.766 1.00 0.00 H new ATOM 0 HA GLU C 59 92.610 3.227 -10.378 1.00 0.00 H new ATOM 0 HB2 GLU C 59 93.899 5.414 -9.528 1.00 0.00 H new ATOM 0 HB3 GLU C 59 93.662 4.689 -7.950 1.00 0.00 H new ATOM 0 HG2 GLU C 59 94.926 2.747 -8.503 1.00 0.00 H new ATOM 0 HG3 GLU C 59 94.714 2.977 -10.227 1.00 0.00 H new ATOM 918 N MET C 60 90.832 3.499 -7.699 1.00 0.00 N ATOM 919 CA MET C 60 90.195 2.759 -6.613 1.00 0.00 C ATOM 920 C MET C 60 89.245 1.709 -7.180 1.00 0.00 C ATOM 921 O MET C 60 89.179 0.581 -6.692 1.00 0.00 O ATOM 922 CB MET C 60 89.410 3.708 -5.706 1.00 0.00 C ATOM 923 CG MET C 60 90.294 4.899 -5.331 1.00 0.00 C ATOM 924 SD MET C 60 91.486 4.389 -4.068 1.00 0.00 S ATOM 925 CE MET C 60 90.784 5.338 -2.696 1.00 0.00 C ATOM 0 H MET C 60 90.443 4.427 -7.869 1.00 0.00 H new ATOM 0 HA MET C 60 90.976 2.270 -6.030 1.00 0.00 H new ATOM 0 HB2 MET C 60 88.511 4.054 -6.215 1.00 0.00 H new ATOM 0 HB3 MET C 60 89.086 3.184 -4.807 1.00 0.00 H new ATOM 0 HG2 MET C 60 90.818 5.269 -6.212 1.00 0.00 H new ATOM 0 HG3 MET C 60 89.680 5.718 -4.957 1.00 0.00 H new ATOM 0 HE1 MET C 60 91.375 5.169 -1.796 1.00 0.00 H new ATOM 0 HE2 MET C 60 90.796 6.399 -2.944 1.00 0.00 H new ATOM 0 HE3 MET C 60 89.757 5.018 -2.520 1.00 0.00 H new ATOM 935 N ILE C 61 88.513 2.097 -8.220 1.00 0.00 N ATOM 936 CA ILE C 61 87.566 1.189 -8.858 1.00 0.00 C ATOM 937 C ILE C 61 88.309 0.194 -9.746 1.00 0.00 C ATOM 938 O ILE C 61 87.999 -0.995 -9.761 1.00 0.00 O ATOM 939 CB ILE C 61 86.565 1.983 -9.709 1.00 0.00 C ATOM 940 CG1 ILE C 61 85.532 2.670 -8.805 1.00 0.00 C ATOM 941 CG2 ILE C 61 85.835 1.039 -10.668 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.208 3.221 -7.546 1.00 0.00 C ATOM 0 H ILE C 61 88.557 3.027 -8.636 1.00 0.00 H new ATOM 0 HA ILE C 61 87.028 0.646 -8.081 1.00 0.00 H new ATOM 0 HB ILE C 61 87.111 2.736 -10.276 1.00 0.00 H new ATOM 0 HG12 ILE C 61 85.045 3.480 -9.348 1.00 0.00 H new ATOM 0 HG13 ILE C 61 84.753 1.960 -8.526 1.00 0.00 H new ATOM 0 HG21 ILE C 61 85.126 1.608 -11.269 1.00 0.00 H new ATOM 0 HG22 ILE C 61 86.559 0.554 -11.323 1.00 0.00 H new ATOM 0 HG23 ILE C 61 85.299 0.282 -10.096 1.00 0.00 H new ATOM 0 HD11 ILE C 61 85.463 3.705 -6.915 1.00 0.00 H new ATOM 0 HD12 ILE C 61 86.674 2.403 -6.996 1.00 0.00 H new ATOM 0 HD13 ILE C 61 86.970 3.947 -7.830 1.00 0.00 H new ATOM 954 N ASP C 62 89.289 0.698 -10.489 1.00 0.00 N ATOM 955 CA ASP C 62 90.071 -0.152 -11.384 1.00 0.00 C ATOM 956 C ASP C 62 90.381 -1.490 -10.723 1.00 0.00 C ATOM 957 O ASP C 62 90.011 -2.550 -11.229 1.00 0.00 O ATOM 958 CB ASP C 62 91.385 0.535 -11.761 1.00 0.00 C ATOM 959 CG ASP C 62 92.145 -0.328 -12.762 1.00 0.00 C ATOM 960 OD1 ASP C 62 91.506 -1.109 -13.446 1.00 0.00 O ATOM 961 OD2 ASP C 62 93.356 -0.195 -12.829 1.00 0.00 O ATOM 0 H ASP C 62 89.560 1.681 -10.491 1.00 0.00 H new ATOM 0 HA ASP C 62 89.479 -0.324 -12.283 1.00 0.00 H new ATOM 0 HB2 ASP C 62 91.184 1.516 -12.191 1.00 0.00 H new ATOM 0 HB3 ASP C 62 91.992 0.696 -10.870 1.00 0.00 H new ATOM 966 N GLU C 63 91.066 -1.431 -9.586 1.00 0.00 N ATOM 967 CA GLU C 63 91.422 -2.651 -8.863 1.00 0.00 C ATOM 968 C GLU C 63 90.209 -3.567 -8.748 1.00 0.00 C ATOM 969 O GLU C 63 90.194 -4.677 -9.280 1.00 0.00 O ATOM 970 CB GLU C 63 91.926 -2.329 -7.452 1.00 0.00 C ATOM 971 CG GLU C 63 92.728 -1.026 -7.468 1.00 0.00 C ATOM 972 CD GLU C 63 93.890 -1.132 -6.487 1.00 0.00 C ATOM 973 OE1 GLU C 63 94.362 -2.236 -6.274 1.00 0.00 O ATOM 974 OE2 GLU C 63 94.292 -0.106 -5.962 1.00 0.00 O ATOM 0 H GLU C 63 91.383 -0.566 -9.148 1.00 0.00 H new ATOM 0 HA GLU C 63 92.215 -3.146 -9.423 1.00 0.00 H new ATOM 0 HB2 GLU C 63 91.083 -2.238 -6.767 1.00 0.00 H new ATOM 0 HB3 GLU C 63 92.549 -3.145 -7.084 1.00 0.00 H new ATOM 0 HG2 GLU C 63 93.103 -0.830 -8.472 1.00 0.00 H new ATOM 0 HG3 GLU C 63 92.086 -0.188 -7.198 1.00 0.00 H new ATOM 981 N VAL C 64 89.194 -3.086 -8.039 1.00 0.00 N ATOM 982 CA VAL C 64 87.971 -3.860 -7.843 1.00 0.00 C ATOM 983 C VAL C 64 87.264 -4.112 -9.172 1.00 0.00 C ATOM 984 O VAL C 64 86.407 -4.991 -9.274 1.00 0.00 O ATOM 985 CB VAL C 64 87.016 -3.121 -6.903 1.00 0.00 C ATOM 986 CG1 VAL C 64 87.638 -3.032 -5.509 1.00 0.00 C ATOM 987 CG2 VAL C 64 86.757 -1.709 -7.438 1.00 0.00 C ATOM 0 H VAL C 64 89.192 -2.169 -7.592 1.00 0.00 H new ATOM 0 HA VAL C 64 88.253 -4.816 -7.402 1.00 0.00 H new ATOM 0 HB VAL C 64 86.073 -3.665 -6.846 1.00 0.00 H new ATOM 0 HG11 VAL C 64 86.957 -2.506 -4.840 1.00 0.00 H new ATOM 0 HG12 VAL C 64 87.818 -4.037 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL C 64 88.582 -2.490 -5.566 1.00 0.00 H new ATOM 0 HG21 VAL C 64 86.077 -1.185 -6.767 1.00 0.00 H new ATOM 0 HG22 VAL C 64 87.699 -1.164 -7.498 1.00 0.00 H new ATOM 0 HG23 VAL C 64 86.311 -1.772 -8.430 1.00 0.00 H new ATOM 997 N ASP C 65 87.625 -3.334 -10.189 1.00 0.00 N ATOM 998 CA ASP C 65 87.009 -3.488 -11.503 1.00 0.00 C ATOM 999 C ASP C 65 87.648 -4.647 -12.259 1.00 0.00 C ATOM 1000 O ASP C 65 88.208 -4.469 -13.341 1.00 0.00 O ATOM 1001 CB ASP C 65 87.165 -2.206 -12.324 1.00 0.00 C ATOM 1002 CG ASP C 65 85.797 -1.565 -12.531 1.00 0.00 C ATOM 1003 OD1 ASP C 65 84.963 -1.701 -11.652 1.00 0.00 O ATOM 1004 OD2 ASP C 65 85.604 -0.949 -13.566 1.00 0.00 O ATOM 0 H ASP C 65 88.331 -2.600 -10.131 1.00 0.00 H new ATOM 0 HA ASP C 65 85.949 -3.693 -11.355 1.00 0.00 H new ATOM 0 HB2 ASP C 65 87.830 -1.511 -11.811 1.00 0.00 H new ATOM 0 HB3 ASP C 65 87.622 -2.432 -13.287 1.00 0.00 H new ATOM 1009 N GLU C 66 87.557 -5.839 -11.675 1.00 0.00 N ATOM 1010 CA GLU C 66 88.129 -7.028 -12.300 1.00 0.00 C ATOM 1011 C GLU C 66 87.247 -7.499 -13.452 1.00 0.00 C ATOM 1012 O GLU C 66 87.715 -8.153 -14.384 1.00 0.00 O ATOM 1013 CB GLU C 66 88.261 -8.160 -11.279 1.00 0.00 C ATOM 1014 CG GLU C 66 89.608 -8.048 -10.563 1.00 0.00 C ATOM 1015 CD GLU C 66 90.665 -8.814 -11.349 1.00 0.00 C ATOM 1016 OE1 GLU C 66 90.293 -9.722 -12.074 1.00 0.00 O ATOM 1017 OE2 GLU C 66 91.832 -8.484 -11.213 1.00 0.00 O ATOM 0 H GLU C 66 87.098 -6.007 -10.780 1.00 0.00 H new ATOM 0 HA GLU C 66 89.116 -6.766 -12.680 1.00 0.00 H new ATOM 0 HB2 GLU C 66 87.447 -8.108 -10.556 1.00 0.00 H new ATOM 0 HB3 GLU C 66 88.182 -9.126 -11.779 1.00 0.00 H new ATOM 0 HG2 GLU C 66 89.896 -7.001 -10.469 1.00 0.00 H new ATOM 0 HG3 GLU C 66 89.529 -8.449 -9.552 1.00 0.00 H new ATOM 1024 N ASP C 67 85.963 -7.158 -13.376 1.00 0.00 N ATOM 1025 CA ASP C 67 85.016 -7.550 -14.417 1.00 0.00 C ATOM 1026 C ASP C 67 84.812 -6.414 -15.416 1.00 0.00 C ATOM 1027 O ASP C 67 83.984 -6.508 -16.322 1.00 0.00 O ATOM 1028 CB ASP C 67 83.664 -7.919 -13.800 1.00 0.00 C ATOM 1029 CG ASP C 67 83.234 -6.829 -12.823 1.00 0.00 C ATOM 1030 OD1 ASP C 67 83.520 -5.674 -13.092 1.00 0.00 O ATOM 1031 OD2 ASP C 67 82.625 -7.165 -11.821 1.00 0.00 O ATOM 0 H ASP C 67 85.557 -6.617 -12.613 1.00 0.00 H new ATOM 0 HA ASP C 67 85.429 -8.416 -14.934 1.00 0.00 H new ATOM 0 HB2 ASP C 67 82.915 -8.036 -14.583 1.00 0.00 H new ATOM 0 HB3 ASP C 67 83.737 -8.876 -13.284 1.00 0.00 H new ATOM 1036 N GLY C 68 85.576 -5.337 -15.243 1.00 0.00 N ATOM 1037 CA GLY C 68 85.467 -4.188 -16.138 1.00 0.00 C ATOM 1038 C GLY C 68 84.047 -3.633 -16.134 1.00 0.00 C ATOM 1039 O GLY C 68 83.516 -3.239 -17.173 1.00 0.00 O ATOM 0 H GLY C 68 86.269 -5.236 -14.501 1.00 0.00 H new ATOM 0 HA2 GLY C 68 86.167 -3.412 -15.828 1.00 0.00 H new ATOM 0 HA3 GLY C 68 85.745 -4.482 -17.150 1.00 0.00 H new ATOM 1043 N SER C 69 83.439 -3.607 -14.952 1.00 0.00 N ATOM 1044 CA SER C 69 82.077 -3.098 -14.816 1.00 0.00 C ATOM 1045 C SER C 69 82.076 -1.572 -14.813 1.00 0.00 C ATOM 1046 O SER C 69 81.115 -0.937 -15.248 1.00 0.00 O ATOM 1047 CB SER C 69 81.445 -3.599 -13.518 1.00 0.00 C ATOM 1048 OG SER C 69 82.310 -3.301 -12.430 1.00 0.00 O ATOM 0 H SER C 69 83.862 -3.929 -14.082 1.00 0.00 H new ATOM 0 HA SER C 69 81.497 -3.460 -15.665 1.00 0.00 H new ATOM 0 HB2 SER C 69 80.475 -3.126 -13.366 1.00 0.00 H new ATOM 0 HB3 SER C 69 81.271 -4.673 -13.576 1.00 0.00 H new ATOM 0 HG SER C 69 82.952 -4.032 -12.313 1.00 0.00 H new ATOM 1054 N GLY C 70 83.165 -0.991 -14.317 1.00 0.00 N ATOM 1055 CA GLY C 70 83.281 0.463 -14.261 1.00 0.00 C ATOM 1056 C GLY C 70 82.937 0.983 -12.868 1.00 0.00 C ATOM 1057 O GLY C 70 83.272 2.113 -12.512 1.00 0.00 O ATOM 0 H GLY C 70 83.971 -1.498 -13.952 1.00 0.00 H new ATOM 0 HA2 GLY C 70 84.296 0.761 -14.525 1.00 0.00 H new ATOM 0 HA3 GLY C 70 82.615 0.914 -14.997 1.00 0.00 H new ATOM 1061 N THR C 71 82.265 0.144 -12.085 1.00 0.00 N ATOM 1062 CA THR C 71 81.878 0.527 -10.729 1.00 0.00 C ATOM 1063 C THR C 71 82.282 -0.557 -9.735 1.00 0.00 C ATOM 1064 O THR C 71 82.985 -1.507 -10.082 1.00 0.00 O ATOM 1065 CB THR C 71 80.366 0.747 -10.646 1.00 0.00 C ATOM 1066 OG1 THR C 71 79.699 -0.306 -11.328 1.00 0.00 O ATOM 1067 CG2 THR C 71 80.009 2.085 -11.293 1.00 0.00 C ATOM 0 H THR C 71 81.979 -0.795 -12.361 1.00 0.00 H new ATOM 0 HA THR C 71 82.392 1.456 -10.480 1.00 0.00 H new ATOM 0 HB THR C 71 80.055 0.757 -9.601 1.00 0.00 H new ATOM 0 HG1 THR C 71 78.788 -0.024 -11.555 1.00 0.00 H new ATOM 0 HG21 THR C 71 78.932 2.242 -11.234 1.00 0.00 H new ATOM 0 HG22 THR C 71 80.522 2.891 -10.769 1.00 0.00 H new ATOM 0 HG23 THR C 71 80.318 2.078 -12.338 1.00 0.00 H new ATOM 1075 N VAL C 72 81.836 -0.404 -8.491 1.00 0.00 N ATOM 1076 CA VAL C 72 82.164 -1.376 -7.452 1.00 0.00 C ATOM 1077 C VAL C 72 80.900 -1.877 -6.762 1.00 0.00 C ATOM 1078 O VAL C 72 80.331 -1.198 -5.907 1.00 0.00 O ATOM 1079 CB VAL C 72 83.085 -0.751 -6.404 1.00 0.00 C ATOM 1080 CG1 VAL C 72 83.983 -1.833 -5.804 1.00 0.00 C ATOM 1081 CG2 VAL C 72 83.954 0.323 -7.062 1.00 0.00 C ATOM 0 H VAL C 72 81.254 0.374 -8.180 1.00 0.00 H new ATOM 0 HA VAL C 72 82.671 -2.214 -7.931 1.00 0.00 H new ATOM 0 HB VAL C 72 82.483 -0.299 -5.616 1.00 0.00 H new ATOM 0 HG11 VAL C 72 84.640 -1.388 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL C 72 83.366 -2.599 -5.334 1.00 0.00 H new ATOM 0 HG13 VAL C 72 84.585 -2.285 -6.593 1.00 0.00 H new ATOM 0 HG21 VAL C 72 84.610 0.768 -6.314 1.00 0.00 H new ATOM 0 HG22 VAL C 72 84.556 -0.129 -7.851 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.315 1.096 -7.490 1.00 0.00 H new ATOM 1091 N ASP C 73 80.471 -3.077 -7.140 1.00 0.00 N ATOM 1092 CA ASP C 73 79.276 -3.670 -6.550 1.00 0.00 C ATOM 1093 C ASP C 73 79.470 -3.859 -5.045 1.00 0.00 C ATOM 1094 O ASP C 73 80.381 -3.284 -4.449 1.00 0.00 O ATOM 1095 CB ASP C 73 78.982 -5.023 -7.206 1.00 0.00 C ATOM 1096 CG ASP C 73 80.218 -5.910 -7.117 1.00 0.00 C ATOM 1097 OD1 ASP C 73 80.633 -6.205 -6.011 1.00 0.00 O ATOM 1098 OD2 ASP C 73 80.734 -6.280 -8.159 1.00 0.00 O ATOM 0 H ASP C 73 80.928 -3.654 -7.846 1.00 0.00 H new ATOM 0 HA ASP C 73 78.433 -3.000 -6.719 1.00 0.00 H new ATOM 0 HB2 ASP C 73 78.139 -5.504 -6.710 1.00 0.00 H new ATOM 0 HB3 ASP C 73 78.698 -4.880 -8.249 1.00 0.00 H new ATOM 1103 N PHE C 74 78.598 -4.658 -4.435 1.00 0.00 N ATOM 1104 CA PHE C 74 78.676 -4.904 -2.995 1.00 0.00 C ATOM 1105 C PHE C 74 79.679 -6.013 -2.674 1.00 0.00 C ATOM 1106 O PHE C 74 80.021 -6.239 -1.513 1.00 0.00 O ATOM 1107 CB PHE C 74 77.300 -5.308 -2.459 1.00 0.00 C ATOM 1108 CG PHE C 74 77.310 -5.279 -0.949 1.00 0.00 C ATOM 1109 CD1 PHE C 74 77.809 -6.372 -0.231 1.00 0.00 C ATOM 1110 CD2 PHE C 74 76.816 -4.160 -0.269 1.00 0.00 C ATOM 1111 CE1 PHE C 74 77.816 -6.345 1.169 1.00 0.00 C ATOM 1112 CE2 PHE C 74 76.823 -4.133 1.130 1.00 0.00 C ATOM 1113 CZ PHE C 74 77.322 -5.225 1.849 1.00 0.00 C ATOM 0 H PHE C 74 77.836 -5.143 -4.909 1.00 0.00 H new ATOM 0 HA PHE C 74 79.009 -3.982 -2.518 1.00 0.00 H new ATOM 0 HB2 PHE C 74 76.537 -4.629 -2.840 1.00 0.00 H new ATOM 0 HB3 PHE C 74 77.041 -6.307 -2.811 1.00 0.00 H new ATOM 0 HD1 PHE C 74 78.188 -7.236 -0.757 1.00 0.00 H new ATOM 0 HD2 PHE C 74 76.430 -3.318 -0.824 1.00 0.00 H new ATOM 0 HE1 PHE C 74 78.202 -7.187 1.724 1.00 0.00 H new ATOM 0 HE2 PHE C 74 76.443 -3.269 1.655 1.00 0.00 H new ATOM 0 HZ PHE C 74 77.326 -5.204 2.929 1.00 0.00 H new ATOM 1123 N ASP C 75 80.139 -6.709 -3.708 1.00 0.00 N ATOM 1124 CA ASP C 75 81.093 -7.802 -3.514 1.00 0.00 C ATOM 1125 C ASP C 75 82.535 -7.293 -3.513 1.00 0.00 C ATOM 1126 O ASP C 75 83.165 -7.176 -2.462 1.00 0.00 O ATOM 1127 CB ASP C 75 80.939 -8.850 -4.619 1.00 0.00 C ATOM 1128 CG ASP C 75 80.351 -10.127 -4.029 1.00 0.00 C ATOM 1129 OD1 ASP C 75 79.376 -10.027 -3.303 1.00 0.00 O ATOM 1130 OD2 ASP C 75 80.885 -11.187 -4.311 1.00 0.00 O ATOM 0 H ASP C 75 79.873 -6.541 -4.678 1.00 0.00 H new ATOM 0 HA ASP C 75 80.877 -8.251 -2.544 1.00 0.00 H new ATOM 0 HB2 ASP C 75 80.291 -8.469 -5.408 1.00 0.00 H new ATOM 0 HB3 ASP C 75 81.907 -9.059 -5.074 1.00 0.00 H new ATOM 1135 N GLU C 76 83.056 -7.010 -4.705 1.00 0.00 N ATOM 1136 CA GLU C 76 84.435 -6.537 -4.833 1.00 0.00 C ATOM 1137 C GLU C 76 84.770 -5.512 -3.752 1.00 0.00 C ATOM 1138 O GLU C 76 85.905 -5.440 -3.280 1.00 0.00 O ATOM 1139 CB GLU C 76 84.665 -5.902 -6.206 1.00 0.00 C ATOM 1140 CG GLU C 76 83.492 -4.981 -6.552 1.00 0.00 C ATOM 1141 CD GLU C 76 83.622 -4.513 -7.998 1.00 0.00 C ATOM 1142 OE1 GLU C 76 84.571 -3.803 -8.287 1.00 0.00 O ATOM 1143 OE2 GLU C 76 82.771 -4.871 -8.794 1.00 0.00 O ATOM 0 H GLU C 76 82.552 -7.098 -5.587 1.00 0.00 H new ATOM 0 HA GLU C 76 85.085 -7.404 -4.717 1.00 0.00 H new ATOM 0 HB2 GLU C 76 85.596 -5.336 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU C 76 84.766 -6.679 -6.964 1.00 0.00 H new ATOM 0 HG2 GLU C 76 82.548 -5.508 -6.413 1.00 0.00 H new ATOM 0 HG3 GLU C 76 83.479 -4.123 -5.880 1.00 0.00 H new ATOM 1150 N PHE C 77 83.777 -4.719 -3.365 1.00 0.00 N ATOM 1151 CA PHE C 77 83.990 -3.702 -2.338 1.00 0.00 C ATOM 1152 C PHE C 77 84.564 -4.331 -1.069 1.00 0.00 C ATOM 1153 O PHE C 77 85.745 -4.174 -0.760 1.00 0.00 O ATOM 1154 CB PHE C 77 82.672 -2.998 -1.998 1.00 0.00 C ATOM 1155 CG PHE C 77 82.856 -2.146 -0.763 1.00 0.00 C ATOM 1156 CD1 PHE C 77 83.437 -0.877 -0.866 1.00 0.00 C ATOM 1157 CD2 PHE C 77 82.450 -2.631 0.485 1.00 0.00 C ATOM 1158 CE1 PHE C 77 83.611 -0.091 0.280 1.00 0.00 C ATOM 1159 CE2 PHE C 77 82.622 -1.846 1.632 1.00 0.00 C ATOM 1160 CZ PHE C 77 83.203 -0.576 1.529 1.00 0.00 C ATOM 0 H PHE C 77 82.829 -4.758 -3.740 1.00 0.00 H new ATOM 0 HA PHE C 77 84.699 -2.973 -2.731 1.00 0.00 H new ATOM 0 HB2 PHE C 77 82.353 -2.378 -2.836 1.00 0.00 H new ATOM 0 HB3 PHE C 77 81.887 -3.735 -1.830 1.00 0.00 H new ATOM 0 HD1 PHE C 77 83.751 -0.504 -1.829 1.00 0.00 H new ATOM 0 HD2 PHE C 77 82.004 -3.611 0.564 1.00 0.00 H new ATOM 0 HE1 PHE C 77 84.059 0.888 0.201 1.00 0.00 H new ATOM 0 HE2 PHE C 77 82.307 -2.220 2.595 1.00 0.00 H new ATOM 0 HZ PHE C 77 83.337 0.030 2.413 1.00 0.00 H new ATOM 1170 N LEU C 78 83.709 -5.038 -0.335 1.00 0.00 N ATOM 1171 CA LEU C 78 84.131 -5.682 0.907 1.00 0.00 C ATOM 1172 C LEU C 78 85.479 -6.378 0.734 1.00 0.00 C ATOM 1173 O LEU C 78 86.357 -6.279 1.591 1.00 0.00 O ATOM 1174 CB LEU C 78 83.093 -6.713 1.355 1.00 0.00 C ATOM 1175 CG LEU C 78 82.125 -6.065 2.348 1.00 0.00 C ATOM 1176 CD1 LEU C 78 80.694 -6.503 2.030 1.00 0.00 C ATOM 1177 CD2 LEU C 78 82.486 -6.502 3.769 1.00 0.00 C ATOM 0 H LEU C 78 82.728 -5.179 -0.575 1.00 0.00 H new ATOM 0 HA LEU C 78 84.226 -4.904 1.664 1.00 0.00 H new ATOM 0 HB2 LEU C 78 82.546 -7.092 0.492 1.00 0.00 H new ATOM 0 HB3 LEU C 78 83.589 -7.566 1.818 1.00 0.00 H new ATOM 0 HG LEU C 78 82.198 -4.980 2.269 1.00 0.00 H new ATOM 0 HD11 LEU C 78 80.006 -6.041 2.738 1.00 0.00 H new ATOM 0 HD12 LEU C 78 80.435 -6.193 1.018 1.00 0.00 H new ATOM 0 HD13 LEU C 78 80.620 -7.588 2.108 1.00 0.00 H new ATOM 0 HD21 LEU C 78 81.797 -6.041 4.477 1.00 0.00 H new ATOM 0 HD22 LEU C 78 82.413 -7.587 3.846 1.00 0.00 H new ATOM 0 HD23 LEU C 78 83.505 -6.190 3.998 1.00 0.00 H new ATOM 1189 N VAL C 79 85.632 -7.088 -0.380 1.00 0.00 N ATOM 1190 CA VAL C 79 86.878 -7.802 -0.649 1.00 0.00 C ATOM 1191 C VAL C 79 88.067 -6.846 -0.604 1.00 0.00 C ATOM 1192 O VAL C 79 89.013 -7.045 0.156 1.00 0.00 O ATOM 1193 CB VAL C 79 86.830 -8.471 -2.023 1.00 0.00 C ATOM 1194 CG1 VAL C 79 87.947 -9.511 -2.124 1.00 0.00 C ATOM 1195 CG2 VAL C 79 85.475 -9.159 -2.206 1.00 0.00 C ATOM 0 H VAL C 79 84.919 -7.185 -1.103 1.00 0.00 H new ATOM 0 HA VAL C 79 86.996 -8.564 0.121 1.00 0.00 H new ATOM 0 HB VAL C 79 86.965 -7.718 -2.799 1.00 0.00 H new ATOM 0 HG11 VAL C 79 87.913 -9.988 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL C 79 88.912 -9.022 -1.992 1.00 0.00 H new ATOM 0 HG13 VAL C 79 87.813 -10.265 -1.348 1.00 0.00 H new ATOM 0 HG21 VAL C 79 85.439 -9.637 -3.185 1.00 0.00 H new ATOM 0 HG22 VAL C 79 85.342 -9.912 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL C 79 84.678 -8.419 -2.134 1.00 0.00 H new ATOM 1205 N MET C 80 88.009 -5.808 -1.433 1.00 0.00 N ATOM 1206 CA MET C 80 89.089 -4.826 -1.486 1.00 0.00 C ATOM 1207 C MET C 80 89.516 -4.419 -0.079 1.00 0.00 C ATOM 1208 O MET C 80 90.661 -4.028 0.148 1.00 0.00 O ATOM 1209 CB MET C 80 88.642 -3.579 -2.249 1.00 0.00 C ATOM 1210 CG MET C 80 89.726 -2.504 -2.152 1.00 0.00 C ATOM 1211 SD MET C 80 89.820 -1.601 -3.718 1.00 0.00 S ATOM 1212 CE MET C 80 88.840 -0.166 -3.213 1.00 0.00 C ATOM 0 H MET C 80 87.235 -5.625 -2.071 1.00 0.00 H new ATOM 0 HA MET C 80 89.932 -5.286 -2.001 1.00 0.00 H new ATOM 0 HB2 MET C 80 88.454 -3.827 -3.294 1.00 0.00 H new ATOM 0 HB3 MET C 80 87.705 -3.204 -1.837 1.00 0.00 H new ATOM 0 HG2 MET C 80 89.500 -1.817 -1.336 1.00 0.00 H new ATOM 0 HG3 MET C 80 90.689 -2.962 -1.925 1.00 0.00 H new ATOM 0 HE1 MET C 80 88.767 0.536 -4.044 1.00 0.00 H new ATOM 0 HE2 MET C 80 87.841 -0.491 -2.924 1.00 0.00 H new ATOM 0 HE3 MET C 80 89.321 0.323 -2.366 1.00 0.00 H new ATOM 1222 N MET C 81 88.581 -4.509 0.861 1.00 0.00 N ATOM 1223 CA MET C 81 88.869 -4.141 2.245 1.00 0.00 C ATOM 1224 C MET C 81 89.653 -5.246 2.946 1.00 0.00 C ATOM 1225 O MET C 81 90.546 -4.979 3.750 1.00 0.00 O ATOM 1226 CB MET C 81 87.570 -3.890 3.011 1.00 0.00 C ATOM 1227 CG MET C 81 87.325 -2.384 3.121 1.00 0.00 C ATOM 1228 SD MET C 81 86.300 -1.836 1.734 1.00 0.00 S ATOM 1229 CE MET C 81 87.641 -1.571 0.548 1.00 0.00 C ATOM 0 H MET C 81 87.627 -4.830 0.694 1.00 0.00 H new ATOM 0 HA MET C 81 89.467 -3.230 2.230 1.00 0.00 H new ATOM 0 HB2 MET C 81 86.735 -4.368 2.499 1.00 0.00 H new ATOM 0 HB3 MET C 81 87.630 -4.333 4.005 1.00 0.00 H new ATOM 0 HG2 MET C 81 86.832 -2.153 4.065 1.00 0.00 H new ATOM 0 HG3 MET C 81 88.275 -1.849 3.119 1.00 0.00 H new ATOM 0 HE1 MET C 81 87.509 -0.605 0.060 1.00 0.00 H new ATOM 0 HE2 MET C 81 88.597 -1.586 1.071 1.00 0.00 H new ATOM 0 HE3 MET C 81 87.625 -2.362 -0.202 1.00 0.00 H new ATOM 1239 N VAL C 82 89.306 -6.492 2.638 1.00 0.00 N ATOM 1240 CA VAL C 82 89.983 -7.633 3.250 1.00 0.00 C ATOM 1241 C VAL C 82 91.282 -7.946 2.513 1.00 0.00 C ATOM 1242 O VAL C 82 92.137 -8.673 3.018 1.00 0.00 O ATOM 1243 CB VAL C 82 89.088 -8.873 3.217 1.00 0.00 C ATOM 1244 CG1 VAL C 82 89.421 -9.771 4.409 1.00 0.00 C ATOM 1245 CG2 VAL C 82 87.619 -8.449 3.292 1.00 0.00 C ATOM 0 H VAL C 82 88.569 -6.737 1.977 1.00 0.00 H new ATOM 0 HA VAL C 82 90.204 -7.370 4.284 1.00 0.00 H new ATOM 0 HB VAL C 82 89.259 -9.419 2.289 1.00 0.00 H new ATOM 0 HG11 VAL C 82 88.784 -10.655 4.387 1.00 0.00 H new ATOM 0 HG12 VAL C 82 90.466 -10.075 4.355 1.00 0.00 H new ATOM 0 HG13 VAL C 82 89.250 -9.224 5.336 1.00 0.00 H new ATOM 0 HG21 VAL C 82 86.983 -9.334 3.268 1.00 0.00 H new ATOM 0 HG22 VAL C 82 87.445 -7.902 4.219 1.00 0.00 H new ATOM 0 HG23 VAL C 82 87.381 -7.809 2.443 1.00 0.00 H new ATOM 1255 N ARG C 83 91.417 -7.393 1.312 1.00 0.00 N ATOM 1256 CA ARG C 83 92.616 -7.626 0.510 1.00 0.00 C ATOM 1257 C ARG C 83 93.808 -6.870 1.087 1.00 0.00 C ATOM 1258 O ARG C 83 94.923 -7.388 1.137 1.00 0.00 O ATOM 1259 CB ARG C 83 92.391 -7.175 -0.934 1.00 0.00 C ATOM 1260 CG ARG C 83 92.402 -8.396 -1.856 1.00 0.00 C ATOM 1261 CD ARG C 83 92.117 -7.954 -3.292 1.00 0.00 C ATOM 1262 NE ARG C 83 93.273 -7.263 -3.858 1.00 0.00 N ATOM 1263 CZ ARG C 83 93.375 -7.059 -5.168 1.00 0.00 C ATOM 1264 NH1 ARG C 83 92.430 -7.472 -5.969 1.00 0.00 N ATOM 1265 NH2 ARG C 83 94.418 -6.444 -5.654 1.00 0.00 N ATOM 0 H ARG C 83 90.722 -6.788 0.876 1.00 0.00 H new ATOM 0 HA ARG C 83 92.825 -8.696 0.529 1.00 0.00 H new ATOM 0 HB2 ARG C 83 91.439 -6.650 -1.019 1.00 0.00 H new ATOM 0 HB3 ARG C 83 93.170 -6.473 -1.233 1.00 0.00 H new ATOM 0 HG2 ARG C 83 93.369 -8.896 -1.803 1.00 0.00 H new ATOM 0 HG3 ARG C 83 91.652 -9.117 -1.531 1.00 0.00 H new ATOM 0 HD2 ARG C 83 91.871 -8.822 -3.903 1.00 0.00 H new ATOM 0 HD3 ARG C 83 91.249 -7.295 -3.310 1.00 0.00 H new ATOM 0 HE ARG C 83 94.013 -6.932 -3.239 1.00 0.00 H new ATOM 0 HH11 ARG C 83 91.613 -7.951 -5.590 1.00 0.00 H new ATOM 0 HH12 ARG C 83 92.509 -7.315 -6.974 1.00 0.00 H new ATOM 0 HH21 ARG C 83 95.156 -6.119 -5.029 1.00 0.00 H new ATOM 0 HH22 ARG C 83 94.496 -6.288 -6.659 1.00 0.00 H new ATOM 1279 N CYS C 84 93.562 -5.637 1.519 1.00 0.00 N ATOM 1280 CA CYS C 84 94.627 -4.815 2.089 1.00 0.00 C ATOM 1281 C CYS C 84 94.789 -5.102 3.579 1.00 0.00 C ATOM 1282 O CYS C 84 95.870 -5.466 4.042 1.00 0.00 O ATOM 1283 CB CYS C 84 94.316 -3.330 1.902 1.00 0.00 C ATOM 1284 SG CYS C 84 94.649 -2.854 0.188 1.00 0.00 S ATOM 0 H CYS C 84 92.647 -5.188 1.487 1.00 0.00 H new ATOM 0 HA CYS C 84 95.553 -5.062 1.569 1.00 0.00 H new ATOM 0 HB2 CYS C 84 93.273 -3.132 2.149 1.00 0.00 H new ATOM 0 HB3 CYS C 84 94.924 -2.732 2.581 1.00 0.00 H new ATOM 0 HG CYS C 84 94.382 -1.592 0.029 1.00 0.00 H new ATOM 1290 N MET C 85 93.702 -4.928 4.324 1.00 0.00 N ATOM 1291 CA MET C 85 93.729 -5.164 5.766 1.00 0.00 C ATOM 1292 C MET C 85 94.468 -6.460 6.085 1.00 0.00 C ATOM 1293 O MET C 85 95.368 -6.487 6.924 1.00 0.00 O ATOM 1294 CB MET C 85 92.307 -5.249 6.321 1.00 0.00 C ATOM 1295 CG MET C 85 91.684 -3.853 6.337 1.00 0.00 C ATOM 1296 SD MET C 85 90.165 -3.881 7.320 1.00 0.00 S ATOM 1297 CE MET C 85 89.090 -3.095 6.095 1.00 0.00 C ATOM 0 H MET C 85 92.798 -4.627 3.959 1.00 0.00 H new ATOM 0 HA MET C 85 94.251 -4.328 6.232 1.00 0.00 H new ATOM 0 HB2 MET C 85 91.705 -5.921 5.709 1.00 0.00 H new ATOM 0 HB3 MET C 85 92.322 -5.664 7.329 1.00 0.00 H new ATOM 0 HG2 MET C 85 92.388 -3.134 6.756 1.00 0.00 H new ATOM 0 HG3 MET C 85 91.465 -3.529 5.319 1.00 0.00 H new ATOM 0 HE1 MET C 85 88.111 -3.573 6.110 1.00 0.00 H new ATOM 0 HE2 MET C 85 88.981 -2.037 6.333 1.00 0.00 H new ATOM 0 HE3 MET C 85 89.530 -3.201 5.103 1.00 0.00 H new ATOM 1307 N LYS C 86 94.075 -7.536 5.409 1.00 0.00 N ATOM 1308 CA LYS C 86 94.708 -8.833 5.631 1.00 0.00 C ATOM 1309 C LYS C 86 95.740 -9.115 4.544 1.00 0.00 C ATOM 1310 O LYS C 86 95.994 -10.267 4.192 1.00 0.00 O ATOM 1311 CB LYS C 86 93.661 -9.949 5.629 1.00 0.00 C ATOM 1312 CG LYS C 86 93.430 -10.434 7.062 1.00 0.00 C ATOM 1313 CD LYS C 86 93.159 -11.940 7.055 1.00 0.00 C ATOM 1314 CE LYS C 86 94.437 -12.692 7.431 1.00 0.00 C ATOM 1315 NZ LYS C 86 94.563 -13.911 6.583 1.00 0.00 N ATOM 0 H LYS C 86 93.331 -7.537 4.711 1.00 0.00 H new ATOM 0 HA LYS C 86 95.202 -8.804 6.602 1.00 0.00 H new ATOM 0 HB2 LYS C 86 92.727 -9.585 5.202 1.00 0.00 H new ATOM 0 HB3 LYS C 86 93.997 -10.776 5.003 1.00 0.00 H new ATOM 0 HG2 LYS C 86 94.303 -10.214 7.677 1.00 0.00 H new ATOM 0 HG3 LYS C 86 92.587 -9.904 7.505 1.00 0.00 H new ATOM 0 HD2 LYS C 86 92.363 -12.180 7.760 1.00 0.00 H new ATOM 0 HD3 LYS C 86 92.817 -12.254 6.069 1.00 0.00 H new ATOM 0 HE2 LYS C 86 95.305 -12.048 7.292 1.00 0.00 H new ATOM 0 HE3 LYS C 86 94.412 -12.970 8.485 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 95.432 -14.423 6.838 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 93.740 -14.528 6.737 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 94.606 -13.634 5.581 1.00 0.00 H new ATOM 1392 N ILE I 148 93.349 0.574 5.326 1.00 0.00 N ATOM 1393 CA ILE I 148 92.001 1.116 5.481 1.00 0.00 C ATOM 1394 C ILE I 148 91.644 1.245 6.959 1.00 0.00 C ATOM 1395 O ILE I 148 91.077 0.331 7.559 1.00 0.00 O ATOM 1396 CB ILE I 148 90.979 0.205 4.798 1.00 0.00 C ATOM 1397 CG1 ILE I 148 91.169 0.274 3.280 1.00 0.00 C ATOM 1398 CG2 ILE I 148 89.564 0.664 5.156 1.00 0.00 C ATOM 1399 CD1 ILE I 148 90.692 1.633 2.763 1.00 0.00 C ATOM 0 HA ILE I 148 91.978 2.102 5.016 1.00 0.00 H new ATOM 0 HB ILE I 148 91.124 -0.821 5.137 1.00 0.00 H new ATOM 0 HG12 ILE I 148 92.219 0.126 3.028 1.00 0.00 H new ATOM 0 HG13 ILE I 148 90.609 -0.527 2.797 1.00 0.00 H new ATOM 0 HG21 ILE I 148 88.837 0.014 4.669 1.00 0.00 H new ATOM 0 HG22 ILE I 148 89.428 0.615 6.236 1.00 0.00 H new ATOM 0 HG23 ILE I 148 89.418 1.690 4.818 1.00 0.00 H new ATOM 0 HD11 ILE I 148 90.828 1.680 1.683 1.00 0.00 H new ATOM 0 HD12 ILE I 148 89.636 1.763 3.001 1.00 0.00 H new ATOM 0 HD13 ILE I 148 91.271 2.426 3.236 1.00 0.00 H new ATOM 1411 N SER I 149 91.984 2.393 7.538 1.00 0.00 N ATOM 1412 CA SER I 149 91.698 2.638 8.949 1.00 0.00 C ATOM 1413 C SER I 149 90.288 2.172 9.299 1.00 0.00 C ATOM 1414 O SER I 149 90.058 1.584 10.355 1.00 0.00 O ATOM 1415 CB SER I 149 91.827 4.127 9.270 1.00 0.00 C ATOM 1416 OG SER I 149 92.459 4.282 10.534 1.00 0.00 O ATOM 0 H SER I 149 92.453 3.161 7.058 1.00 0.00 H new ATOM 0 HA SER I 149 92.421 2.076 9.540 1.00 0.00 H new ATOM 0 HB2 SER I 149 92.408 4.629 8.496 1.00 0.00 H new ATOM 0 HB3 SER I 149 90.842 4.595 9.283 1.00 0.00 H new ATOM 0 HG SER I 149 91.809 4.112 11.248 1.00 0.00 H new ATOM 1422 N ALA I 150 89.346 2.442 8.398 1.00 0.00 N ATOM 1423 CA ALA I 150 87.957 2.046 8.616 1.00 0.00 C ATOM 1424 C ALA I 150 87.230 3.080 9.470 1.00 0.00 C ATOM 1425 O ALA I 150 86.163 3.571 9.103 1.00 0.00 O ATOM 1426 CB ALA I 150 87.890 0.686 9.315 1.00 0.00 C ATOM 0 H ALA I 150 89.517 2.929 7.518 1.00 0.00 H new ATOM 0 HA ALA I 150 87.473 1.978 7.642 1.00 0.00 H new ATOM 0 HB1 ALA I 150 86.848 0.407 9.469 1.00 0.00 H new ATOM 0 HB2 ALA I 150 88.379 -0.066 8.696 1.00 0.00 H new ATOM 0 HB3 ALA I 150 88.396 0.747 10.279 1.00 0.00 H new ATOM 1432 N ASP I 151 87.819 3.404 10.618 1.00 0.00 N ATOM 1433 CA ASP I 151 87.218 4.380 11.524 1.00 0.00 C ATOM 1434 C ASP I 151 86.806 5.637 10.763 1.00 0.00 C ATOM 1435 O ASP I 151 85.751 6.217 11.018 1.00 0.00 O ATOM 1436 CB ASP I 151 88.206 4.767 12.626 1.00 0.00 C ATOM 1437 CG ASP I 151 89.604 4.898 12.033 1.00 0.00 C ATOM 1438 OD1 ASP I 151 89.772 5.703 11.132 1.00 0.00 O ATOM 1439 OD2 ASP I 151 90.488 4.191 12.490 1.00 0.00 O ATOM 0 H ASP I 151 88.703 3.010 10.941 1.00 0.00 H new ATOM 0 HA ASP I 151 86.336 3.922 11.971 1.00 0.00 H new ATOM 0 HB2 ASP I 151 87.905 5.709 13.085 1.00 0.00 H new ATOM 0 HB3 ASP I 151 88.203 4.013 13.413 1.00 0.00 H new ATOM 1444 N ALA I 152 87.655 6.052 9.827 1.00 0.00 N ATOM 1445 CA ALA I 152 87.376 7.246 9.033 1.00 0.00 C ATOM 1446 C ALA I 152 85.967 7.188 8.447 1.00 0.00 C ATOM 1447 O ALA I 152 85.273 8.201 8.365 1.00 0.00 O ATOM 1448 CB ALA I 152 88.384 7.375 7.891 1.00 0.00 C ATOM 0 H ALA I 152 88.533 5.585 9.601 1.00 0.00 H new ATOM 0 HA ALA I 152 87.457 8.111 9.692 1.00 0.00 H new ATOM 0 HB1 ALA I 152 88.162 8.270 7.309 1.00 0.00 H new ATOM 0 HB2 ALA I 152 89.391 7.450 8.301 1.00 0.00 H new ATOM 0 HB3 ALA I 152 88.319 6.498 7.247 1.00 0.00 H new ATOM 1454 N MET I 153 85.555 5.992 8.038 1.00 0.00 N ATOM 1455 CA MET I 153 84.226 5.813 7.456 1.00 0.00 C ATOM 1456 C MET I 153 83.143 6.174 8.468 1.00 0.00 C ATOM 1457 O MET I 153 82.217 6.928 8.166 1.00 0.00 O ATOM 1458 CB MET I 153 84.025 4.362 7.012 1.00 0.00 C ATOM 1459 CG MET I 153 85.212 3.923 6.154 1.00 0.00 C ATOM 1460 SD MET I 153 84.738 3.953 4.407 1.00 0.00 S ATOM 1461 CE MET I 153 84.314 2.200 4.257 1.00 0.00 C ATOM 0 H MET I 153 86.113 5.140 8.097 1.00 0.00 H new ATOM 0 HA MET I 153 84.150 6.473 6.592 1.00 0.00 H new ATOM 0 HB2 MET I 153 83.932 3.713 7.883 1.00 0.00 H new ATOM 0 HB3 MET I 153 83.099 4.269 6.445 1.00 0.00 H new ATOM 0 HG2 MET I 153 86.061 4.585 6.323 1.00 0.00 H new ATOM 0 HG3 MET I 153 85.529 2.920 6.439 1.00 0.00 H new ATOM 0 HE1 MET I 153 83.971 1.994 3.243 1.00 0.00 H new ATOM 0 HE2 MET I 153 85.193 1.593 4.473 1.00 0.00 H new ATOM 0 HE3 MET I 153 83.522 1.955 4.965 1.00 0.00 H new ATOM 1471 N MET I 154 83.268 5.626 9.674 1.00 0.00 N ATOM 1472 CA MET I 154 82.292 5.894 10.727 1.00 0.00 C ATOM 1473 C MET I 154 81.883 7.364 10.718 1.00 0.00 C ATOM 1474 O MET I 154 80.766 7.713 11.097 1.00 0.00 O ATOM 1475 CB MET I 154 82.875 5.548 12.099 1.00 0.00 C ATOM 1476 CG MET I 154 82.336 4.190 12.555 1.00 0.00 C ATOM 1477 SD MET I 154 81.500 4.377 14.150 1.00 0.00 S ATOM 1478 CE MET I 154 79.807 4.177 13.544 1.00 0.00 C ATOM 0 H MET I 154 84.027 5.000 9.945 1.00 0.00 H new ATOM 0 HA MET I 154 81.416 5.273 10.537 1.00 0.00 H new ATOM 0 HB2 MET I 154 83.963 5.520 12.047 1.00 0.00 H new ATOM 0 HB3 MET I 154 82.610 6.318 12.823 1.00 0.00 H new ATOM 0 HG2 MET I 154 81.642 3.794 11.813 1.00 0.00 H new ATOM 0 HG3 MET I 154 83.153 3.473 12.642 1.00 0.00 H new ATOM 0 HE1 MET I 154 79.110 4.258 14.378 1.00 0.00 H new ATOM 0 HE2 MET I 154 79.589 4.954 12.812 1.00 0.00 H new ATOM 0 HE3 MET I 154 79.701 3.198 13.077 1.00 0.00 H new ATOM 1488 N GLN I 155 82.803 8.221 10.282 1.00 0.00 N ATOM 1489 CA GLN I 155 82.527 9.655 10.228 1.00 0.00 C ATOM 1490 C GLN I 155 81.437 9.952 9.203 1.00 0.00 C ATOM 1491 O GLN I 155 80.489 10.687 9.480 1.00 0.00 O ATOM 1492 CB GLN I 155 83.790 10.431 9.850 1.00 0.00 C ATOM 1493 CG GLN I 155 84.978 9.896 10.651 1.00 0.00 C ATOM 1494 CD GLN I 155 85.444 10.955 11.643 1.00 0.00 C ATOM 1495 OE1 GLN I 155 84.948 12.082 11.636 1.00 0.00 O ATOM 1496 NE2 GLN I 155 86.377 10.659 12.504 1.00 0.00 N ATOM 0 H GLN I 155 83.735 7.953 9.965 1.00 0.00 H new ATOM 0 HA GLN I 155 82.191 9.968 11.217 1.00 0.00 H new ATOM 0 HB2 GLN I 155 83.984 10.332 8.782 1.00 0.00 H new ATOM 0 HB3 GLN I 155 83.651 11.493 10.052 1.00 0.00 H new ATOM 0 HG2 GLN I 155 84.693 8.987 11.181 1.00 0.00 H new ATOM 0 HG3 GLN I 155 85.793 9.630 9.978 1.00 0.00 H new ATOM 0 HE21 GLN I 155 86.788 9.725 12.510 1.00 0.00 H new ATOM 0 HE22 GLN I 155 86.696 11.361 13.172 1.00 0.00 H new ATOM 1505 N ALA I 156 81.582 9.372 8.015 1.00 0.00 N ATOM 1506 CA ALA I 156 80.601 9.580 6.952 1.00 0.00 C ATOM 1507 C ALA I 156 79.288 8.881 7.293 1.00 0.00 C ATOM 1508 O ALA I 156 78.267 9.097 6.640 1.00 0.00 O ATOM 1509 CB ALA I 156 81.124 9.032 5.623 1.00 0.00 C ATOM 0 H ALA I 156 82.359 8.761 7.765 1.00 0.00 H new ATOM 0 HA ALA I 156 80.430 10.653 6.860 1.00 0.00 H new ATOM 0 HB1 ALA I 156 80.380 9.196 4.844 1.00 0.00 H new ATOM 0 HB2 ALA I 156 82.048 9.545 5.356 1.00 0.00 H new ATOM 0 HB3 ALA I 156 81.317 7.964 5.721 1.00 0.00 H new ATOM 1515 N LEU I 157 79.327 8.039 8.322 1.00 0.00 N ATOM 1516 CA LEU I 157 78.134 7.307 8.743 1.00 0.00 C ATOM 1517 C LEU I 157 77.802 7.624 10.197 1.00 0.00 C ATOM 1518 O LEU I 157 77.507 6.731 10.991 1.00 0.00 O ATOM 1519 CB LEU I 157 78.331 5.790 8.597 1.00 0.00 C ATOM 1520 CG LEU I 157 79.791 5.473 8.256 1.00 0.00 C ATOM 1521 CD1 LEU I 157 80.030 3.967 8.379 1.00 0.00 C ATOM 1522 CD2 LEU I 157 80.087 5.921 6.822 1.00 0.00 C ATOM 0 H LEU I 157 80.162 7.847 8.875 1.00 0.00 H new ATOM 0 HA LEU I 157 77.313 7.622 8.099 1.00 0.00 H new ATOM 0 HB2 LEU I 157 78.050 5.289 9.523 1.00 0.00 H new ATOM 0 HB3 LEU I 157 77.676 5.405 7.815 1.00 0.00 H new ATOM 0 HG LEU I 157 80.448 6.002 8.946 1.00 0.00 H new ATOM 0 HD11 LEU I 157 81.069 3.742 8.136 1.00 0.00 H new ATOM 0 HD12 LEU I 157 79.818 3.647 9.399 1.00 0.00 H new ATOM 0 HD13 LEU I 157 79.373 3.437 7.689 1.00 0.00 H new ATOM 0 HD21 LEU I 157 81.125 5.696 6.578 1.00 0.00 H new ATOM 0 HD22 LEU I 157 79.429 5.392 6.132 1.00 0.00 H new ATOM 0 HD23 LEU I 157 79.918 6.994 6.734 1.00 0.00 H new