USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 637 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 69 SER OG : rot -79:sc= 0.151 USER MOD Set 1.2: C 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 13 THR OG1 : rot -141:sc= -0.934 USER MOD Set 2.2: C 16 GLN : amide:sc= -1.57! C(o=-2.5!,f=-11!) USER MOD Single : C 11 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -0.0454 K(o=-0.045,f=-1.4!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 67:sc= -0.126 USER MOD Single : C 37 SER OG : rot -32:sc= 1.06 USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 39 LYS NZ :NH3+ 147:sc= -0.177 (180deg=-1.02) USER MOD Single : C 43 LYS NZ :NH3+ 157:sc= -0.0827 (180deg=-0.569) USER MOD Single : C 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 50 GLN : amide:sc= -0.319 X(o=-0.32,f=0) USER MOD Single : C 51 ASN : amide:sc= -0.728 K(o=-0.73,f=0.18) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.68 USER MOD Single : C 58 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : C 60 MET CE :methyl -165:sc= -0.844 (180deg=-0.878) USER MOD Single : C 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot 87:sc= 0.517 USER MOD Single : C 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 153 MET CE :methyl -153:sc= -0.246 (180deg=-1.29) USER MOD Single : I 154 MET CE :methyl 146:sc= 0 (180deg=-1.16) USER MOD Single : I 155 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 106 N ALA C 7 24.828 -0.315 4.817 1.00 0.00 N ATOM 107 CA ALA C 7 25.912 -1.273 4.701 1.00 0.00 C ATOM 108 C ALA C 7 27.252 -0.577 4.846 1.00 0.00 C ATOM 109 O ALA C 7 28.163 -1.108 5.469 1.00 0.00 O ATOM 110 CB ALA C 7 25.855 -1.982 3.346 1.00 0.00 C ATOM 0 HA ALA C 7 25.801 -2.009 5.498 1.00 0.00 H new ATOM 0 HB1 ALA C 7 26.675 -2.697 3.275 1.00 0.00 H new ATOM 0 HB2 ALA C 7 24.905 -2.508 3.250 1.00 0.00 H new ATOM 0 HB3 ALA C 7 25.945 -1.247 2.546 1.00 0.00 H new ATOM 116 N ALA C 8 27.374 0.611 4.271 1.00 0.00 N ATOM 117 CA ALA C 8 28.631 1.333 4.353 1.00 0.00 C ATOM 118 C ALA C 8 28.970 1.662 5.800 1.00 0.00 C ATOM 119 O ALA C 8 30.096 1.447 6.251 1.00 0.00 O ATOM 120 CB ALA C 8 28.541 2.619 3.535 1.00 0.00 C ATOM 0 H ALA C 8 26.634 1.086 3.754 1.00 0.00 H new ATOM 0 HA ALA C 8 29.422 0.701 3.949 1.00 0.00 H new ATOM 0 HB1 ALA C 8 29.486 3.158 3.599 1.00 0.00 H new ATOM 0 HB2 ALA C 8 28.333 2.374 2.493 1.00 0.00 H new ATOM 0 HB3 ALA C 8 27.739 3.245 3.928 1.00 0.00 H new ATOM 126 N VAL C 9 27.983 2.168 6.522 1.00 0.00 N ATOM 127 CA VAL C 9 28.174 2.521 7.922 1.00 0.00 C ATOM 128 C VAL C 9 28.494 1.282 8.755 1.00 0.00 C ATOM 129 O VAL C 9 29.423 1.286 9.562 1.00 0.00 O ATOM 130 CB VAL C 9 26.909 3.188 8.450 1.00 0.00 C ATOM 131 CG1 VAL C 9 27.012 3.363 9.967 1.00 0.00 C ATOM 132 CG2 VAL C 9 26.745 4.562 7.798 1.00 0.00 C ATOM 0 H VAL C 9 27.044 2.344 6.164 1.00 0.00 H new ATOM 0 HA VAL C 9 29.015 3.210 8.000 1.00 0.00 H new ATOM 0 HB VAL C 9 26.049 2.562 8.212 1.00 0.00 H new ATOM 0 HG11 VAL C 9 26.106 3.840 10.341 1.00 0.00 H new ATOM 0 HG12 VAL C 9 27.129 2.387 10.439 1.00 0.00 H new ATOM 0 HG13 VAL C 9 27.874 3.986 10.204 1.00 0.00 H new ATOM 0 HG21 VAL C 9 25.840 5.038 8.176 1.00 0.00 H new ATOM 0 HG22 VAL C 9 27.609 5.183 8.036 1.00 0.00 H new ATOM 0 HG23 VAL C 9 26.669 4.445 6.717 1.00 0.00 H new ATOM 142 N GLU C 10 27.717 0.224 8.548 1.00 0.00 N ATOM 143 CA GLU C 10 27.914 -1.021 9.273 1.00 0.00 C ATOM 144 C GLU C 10 29.239 -1.661 8.870 1.00 0.00 C ATOM 145 O GLU C 10 29.903 -2.305 9.683 1.00 0.00 O ATOM 146 CB GLU C 10 26.761 -1.982 8.983 1.00 0.00 C ATOM 147 CG GLU C 10 26.823 -3.157 9.958 1.00 0.00 C ATOM 148 CD GLU C 10 26.420 -2.694 11.354 1.00 0.00 C ATOM 149 OE1 GLU C 10 25.951 -1.573 11.474 1.00 0.00 O ATOM 150 OE2 GLU C 10 26.578 -3.468 12.283 1.00 0.00 O1- ATOM 0 H GLU C 10 26.944 0.206 7.882 1.00 0.00 H new ATOM 0 HA GLU C 10 27.938 -0.806 10.341 1.00 0.00 H new ATOM 0 HB2 GLU C 10 25.807 -1.463 9.081 1.00 0.00 H new ATOM 0 HB3 GLU C 10 26.823 -2.343 7.956 1.00 0.00 H new ATOM 0 HG2 GLU C 10 26.159 -3.954 9.624 1.00 0.00 H new ATOM 0 HG3 GLU C 10 27.831 -3.571 9.979 1.00 0.00 H new ATOM 157 N GLN C 11 29.608 -1.489 7.602 1.00 0.00 N ATOM 158 CA GLN C 11 30.848 -2.065 7.088 1.00 0.00 C ATOM 159 C GLN C 11 32.046 -1.504 7.843 1.00 0.00 C ATOM 160 O GLN C 11 33.006 -2.230 8.105 1.00 0.00 O ATOM 161 CB GLN C 11 31.004 -1.762 5.592 1.00 0.00 C ATOM 162 CG GLN C 11 32.282 -2.416 5.060 1.00 0.00 C ATOM 163 CD GLN C 11 32.382 -2.198 3.556 1.00 0.00 C ATOM 164 OE1 GLN C 11 31.624 -1.411 2.991 1.00 0.00 O ATOM 165 NE2 GLN C 11 33.275 -2.854 2.870 1.00 0.00 N ATOM 0 H GLN C 11 29.070 -0.959 6.916 1.00 0.00 H new ATOM 0 HA GLN C 11 30.804 -3.145 7.231 1.00 0.00 H new ATOM 0 HB2 GLN C 11 30.139 -2.135 5.044 1.00 0.00 H new ATOM 0 HB3 GLN C 11 31.042 -0.684 5.432 1.00 0.00 H new ATOM 0 HG2 GLN C 11 33.154 -1.991 5.558 1.00 0.00 H new ATOM 0 HG3 GLN C 11 32.276 -3.483 5.283 1.00 0.00 H new ATOM 0 HE21 GLN C 11 33.902 -3.506 3.341 1.00 0.00 H new ATOM 0 HE22 GLN C 11 33.347 -2.715 1.862 1.00 0.00 H new ATOM 174 N LEU C 12 31.990 -0.213 8.176 1.00 0.00 N ATOM 175 CA LEU C 12 33.091 0.432 8.894 1.00 0.00 C ATOM 176 C LEU C 12 33.744 -0.540 9.872 1.00 0.00 C ATOM 177 O LEU C 12 33.062 -1.230 10.629 1.00 0.00 O ATOM 178 CB LEU C 12 32.565 1.641 9.675 1.00 0.00 C ATOM 179 CG LEU C 12 31.923 2.644 8.713 1.00 0.00 C ATOM 180 CD1 LEU C 12 31.343 3.819 9.501 1.00 0.00 C ATOM 181 CD2 LEU C 12 32.969 3.163 7.721 1.00 0.00 C ATOM 0 H LEU C 12 31.204 0.401 7.963 1.00 0.00 H new ATOM 0 HA LEU C 12 33.832 0.752 8.161 1.00 0.00 H new ATOM 0 HB2 LEU C 12 31.835 1.316 10.416 1.00 0.00 H new ATOM 0 HB3 LEU C 12 33.381 2.117 10.219 1.00 0.00 H new ATOM 0 HG LEU C 12 31.124 2.145 8.165 1.00 0.00 H new ATOM 0 HD11 LEU C 12 30.887 4.530 8.812 1.00 0.00 H new ATOM 0 HD12 LEU C 12 30.588 3.453 10.197 1.00 0.00 H new ATOM 0 HD13 LEU C 12 32.140 4.313 10.057 1.00 0.00 H new ATOM 0 HD21 LEU C 12 32.503 3.876 7.041 1.00 0.00 H new ATOM 0 HD22 LEU C 12 33.775 3.655 8.266 1.00 0.00 H new ATOM 0 HD23 LEU C 12 33.374 2.328 7.150 1.00 0.00 H new ATOM 193 N THR C 13 35.070 -0.591 9.838 1.00 0.00 N ATOM 194 CA THR C 13 35.823 -1.478 10.709 1.00 0.00 C ATOM 195 C THR C 13 35.866 -0.933 12.128 1.00 0.00 C ATOM 196 O THR C 13 35.531 0.227 12.368 1.00 0.00 O ATOM 197 CB THR C 13 37.243 -1.650 10.175 1.00 0.00 C ATOM 198 OG1 THR C 13 37.874 -0.383 10.115 1.00 0.00 O ATOM 199 CG2 THR C 13 37.199 -2.269 8.780 1.00 0.00 C ATOM 0 H THR C 13 35.645 -0.026 9.214 1.00 0.00 H new ATOM 0 HA THR C 13 35.325 -2.447 10.727 1.00 0.00 H new ATOM 0 HB THR C 13 37.805 -2.308 10.838 1.00 0.00 H new ATOM 0 HG1 THR C 13 38.420 -0.328 9.303 1.00 0.00 H new ATOM 0 HG21 THR C 13 38.215 -2.390 8.403 1.00 0.00 H new ATOM 0 HG22 THR C 13 36.712 -3.243 8.829 1.00 0.00 H new ATOM 0 HG23 THR C 13 36.639 -1.617 8.110 1.00 0.00 H new ATOM 207 N GLU C 14 36.270 -1.782 13.065 1.00 0.00 N ATOM 208 CA GLU C 14 36.342 -1.379 14.461 1.00 0.00 C ATOM 209 C GLU C 14 37.323 -0.231 14.637 1.00 0.00 C ATOM 210 O GLU C 14 37.129 0.653 15.470 1.00 0.00 O ATOM 211 CB GLU C 14 36.771 -2.570 15.320 1.00 0.00 C ATOM 212 CG GLU C 14 38.191 -2.996 14.935 1.00 0.00 C ATOM 213 CD GLU C 14 38.551 -4.307 15.627 1.00 0.00 C ATOM 214 OE1 GLU C 14 37.724 -4.809 16.372 1.00 0.00 O ATOM 215 OE2 GLU C 14 39.646 -4.795 15.398 1.00 0.00 O1- ATOM 0 H GLU C 14 36.550 -2.746 12.884 1.00 0.00 H new ATOM 0 HA GLU C 14 35.356 -1.041 14.779 1.00 0.00 H new ATOM 0 HB2 GLU C 14 36.735 -2.302 16.376 1.00 0.00 H new ATOM 0 HB3 GLU C 14 36.080 -3.401 15.178 1.00 0.00 H new ATOM 0 HG2 GLU C 14 38.263 -3.115 13.854 1.00 0.00 H new ATOM 0 HG3 GLU C 14 38.901 -2.219 15.218 1.00 0.00 H new ATOM 222 N GLU C 15 38.369 -0.244 13.830 1.00 0.00 N ATOM 223 CA GLU C 15 39.373 0.809 13.886 1.00 0.00 C ATOM 224 C GLU C 15 38.833 2.099 13.291 1.00 0.00 C ATOM 225 O GLU C 15 39.013 3.179 13.850 1.00 0.00 O ATOM 226 CB GLU C 15 40.635 0.371 13.141 1.00 0.00 C ATOM 227 CG GLU C 15 40.290 -0.018 11.703 1.00 0.00 C ATOM 228 CD GLU C 15 41.515 -0.607 11.006 1.00 0.00 C ATOM 229 OE1 GLU C 15 42.568 -0.633 11.620 1.00 0.00 O ATOM 230 OE2 GLU C 15 41.383 -1.023 9.864 1.00 0.00 O1- ATOM 0 H GLU C 15 38.547 -0.966 13.132 1.00 0.00 H new ATOM 0 HA GLU C 15 39.623 0.992 14.931 1.00 0.00 H new ATOM 0 HB2 GLU C 15 41.366 1.180 13.141 1.00 0.00 H new ATOM 0 HB3 GLU C 15 41.094 -0.474 13.654 1.00 0.00 H new ATOM 0 HG2 GLU C 15 39.477 -0.744 11.700 1.00 0.00 H new ATOM 0 HG3 GLU C 15 39.938 0.857 11.157 1.00 0.00 H new ATOM 237 N GLN C 16 38.164 1.976 12.158 1.00 0.00 N ATOM 238 CA GLN C 16 37.593 3.140 11.496 1.00 0.00 C ATOM 239 C GLN C 16 36.607 3.843 12.417 1.00 0.00 C ATOM 240 O GLN C 16 36.616 5.069 12.539 1.00 0.00 O ATOM 241 CB GLN C 16 36.888 2.721 10.204 1.00 0.00 C ATOM 242 CG GLN C 16 37.771 3.059 9.001 1.00 0.00 C ATOM 243 CD GLN C 16 39.127 2.374 9.122 1.00 0.00 C ATOM 244 OE1 GLN C 16 39.226 1.158 8.963 1.00 0.00 O ATOM 245 NE2 GLN C 16 40.183 3.089 9.396 1.00 0.00 N ATOM 0 H GLN C 16 38.003 1.090 11.679 1.00 0.00 H new ATOM 0 HA GLN C 16 38.401 3.830 11.253 1.00 0.00 H new ATOM 0 HB2 GLN C 16 36.678 1.652 10.224 1.00 0.00 H new ATOM 0 HB3 GLN C 16 35.930 3.233 10.119 1.00 0.00 H new ATOM 0 HG2 GLN C 16 37.279 2.743 8.081 1.00 0.00 H new ATOM 0 HG3 GLN C 16 37.907 4.138 8.935 1.00 0.00 H new ATOM 0 HE21 GLN C 16 40.097 4.097 9.527 1.00 0.00 H new ATOM 0 HE22 GLN C 16 41.095 2.640 9.479 1.00 0.00 H new ATOM 254 N LYS C 17 35.767 3.059 13.078 1.00 0.00 N ATOM 255 CA LYS C 17 34.787 3.615 13.999 1.00 0.00 C ATOM 256 C LYS C 17 35.478 4.315 15.150 1.00 0.00 C ATOM 257 O LYS C 17 35.034 5.368 15.608 1.00 0.00 O ATOM 258 CB LYS C 17 33.887 2.503 14.540 1.00 0.00 C ATOM 259 CG LYS C 17 32.973 1.990 13.421 1.00 0.00 C ATOM 260 CD LYS C 17 31.938 1.008 13.987 1.00 0.00 C ATOM 261 CE LYS C 17 32.618 -0.305 14.400 1.00 0.00 C ATOM 262 NZ LYS C 17 31.576 -1.325 14.722 1.00 0.00 N1+ ATOM 0 H LYS C 17 35.744 2.043 12.995 1.00 0.00 H new ATOM 0 HA LYS C 17 34.179 4.341 13.459 1.00 0.00 H new ATOM 0 HB2 LYS C 17 34.495 1.687 14.929 1.00 0.00 H new ATOM 0 HB3 LYS C 17 33.288 2.878 15.370 1.00 0.00 H new ATOM 0 HG2 LYS C 17 32.466 2.828 12.943 1.00 0.00 H new ATOM 0 HG3 LYS C 17 33.569 1.498 12.652 1.00 0.00 H new ATOM 0 HD2 LYS C 17 31.438 1.452 14.847 1.00 0.00 H new ATOM 0 HD3 LYS C 17 31.170 0.808 13.240 1.00 0.00 H new ATOM 0 HE2 LYS C 17 33.258 -0.665 13.594 1.00 0.00 H new ATOM 0 HE3 LYS C 17 33.259 -0.138 15.266 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 32.036 -2.215 15.002 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 30.983 -0.981 15.504 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 30.982 -1.491 13.885 1.00 0.00 H new ATOM 276 N ASN C 18 36.559 3.730 15.628 1.00 0.00 N ATOM 277 CA ASN C 18 37.273 4.323 16.732 1.00 0.00 C ATOM 278 C ASN C 18 37.842 5.683 16.344 1.00 0.00 C ATOM 279 O ASN C 18 37.825 6.622 17.140 1.00 0.00 O ATOM 280 CB ASN C 18 38.393 3.391 17.182 1.00 0.00 C ATOM 281 CG ASN C 18 38.940 3.832 18.532 1.00 0.00 C ATOM 282 OD1 ASN C 18 38.207 4.383 19.355 1.00 0.00 O ATOM 283 ND2 ASN C 18 40.192 3.612 18.805 1.00 0.00 N ATOM 0 H ASN C 18 36.954 2.859 15.274 1.00 0.00 H new ATOM 0 HA ASN C 18 36.576 4.471 17.557 1.00 0.00 H new ATOM 0 HB2 ASN C 18 38.019 2.369 17.250 1.00 0.00 H new ATOM 0 HB3 ASN C 18 39.193 3.389 16.441 1.00 0.00 H new ATOM 0 HD21 ASN C 18 40.575 3.896 19.707 1.00 0.00 H new ATOM 0 HD22 ASN C 18 40.791 3.155 18.118 1.00 0.00 H new ATOM 290 N GLU C 19 38.353 5.782 15.122 1.00 0.00 N ATOM 291 CA GLU C 19 38.934 7.037 14.654 1.00 0.00 C ATOM 292 C GLU C 19 37.894 8.156 14.650 1.00 0.00 C ATOM 293 O GLU C 19 38.169 9.281 15.082 1.00 0.00 O ATOM 294 CB GLU C 19 39.478 6.852 13.238 1.00 0.00 C ATOM 295 CG GLU C 19 40.725 5.964 13.272 1.00 0.00 C ATOM 296 CD GLU C 19 41.254 5.753 11.856 1.00 0.00 C ATOM 297 OE1 GLU C 19 41.975 6.613 11.380 1.00 0.00 O ATOM 298 OE2 GLU C 19 40.927 4.734 11.269 1.00 0.00 O1- ATOM 0 H GLU C 19 38.378 5.020 14.444 1.00 0.00 H new ATOM 0 HA GLU C 19 39.740 7.314 15.333 1.00 0.00 H new ATOM 0 HB2 GLU C 19 38.716 6.400 12.602 1.00 0.00 H new ATOM 0 HB3 GLU C 19 39.723 7.821 12.803 1.00 0.00 H new ATOM 0 HG2 GLU C 19 41.494 6.426 13.891 1.00 0.00 H new ATOM 0 HG3 GLU C 19 40.485 5.003 13.726 1.00 0.00 H new ATOM 305 N PHE C 20 36.694 7.844 14.171 1.00 0.00 N ATOM 306 CA PHE C 20 35.630 8.838 14.123 1.00 0.00 C ATOM 307 C PHE C 20 35.237 9.264 15.533 1.00 0.00 C ATOM 308 O PHE C 20 35.013 10.444 15.802 1.00 0.00 O ATOM 309 CB PHE C 20 34.410 8.263 13.396 1.00 0.00 C ATOM 310 CG PHE C 20 34.697 8.177 11.914 1.00 0.00 C ATOM 311 CD1 PHE C 20 34.906 9.348 11.171 1.00 0.00 C ATOM 312 CD2 PHE C 20 34.764 6.928 11.284 1.00 0.00 C ATOM 313 CE1 PHE C 20 35.181 9.266 9.801 1.00 0.00 C ATOM 314 CE2 PHE C 20 35.040 6.849 9.914 1.00 0.00 C ATOM 315 CZ PHE C 20 35.249 8.018 9.172 1.00 0.00 C ATOM 0 H PHE C 20 36.437 6.923 13.815 1.00 0.00 H new ATOM 0 HA PHE C 20 35.993 9.711 13.581 1.00 0.00 H new ATOM 0 HB2 PHE C 20 34.173 7.274 13.789 1.00 0.00 H new ATOM 0 HB3 PHE C 20 33.539 8.894 13.572 1.00 0.00 H new ATOM 0 HD1 PHE C 20 34.855 10.312 11.655 1.00 0.00 H new ATOM 0 HD2 PHE C 20 34.603 6.026 11.855 1.00 0.00 H new ATOM 0 HE1 PHE C 20 35.341 10.168 9.228 1.00 0.00 H new ATOM 0 HE2 PHE C 20 35.092 5.886 9.429 1.00 0.00 H new ATOM 0 HZ PHE C 20 35.463 7.956 8.115 1.00 0.00 H new ATOM 325 N LYS C 21 35.167 8.291 16.430 1.00 0.00 N ATOM 326 CA LYS C 21 34.812 8.561 17.819 1.00 0.00 C ATOM 327 C LYS C 21 35.849 9.482 18.452 1.00 0.00 C ATOM 328 O LYS C 21 35.508 10.373 19.229 1.00 0.00 O ATOM 329 CB LYS C 21 34.742 7.249 18.613 1.00 0.00 C ATOM 330 CG LYS C 21 34.146 7.494 20.010 1.00 0.00 C ATOM 331 CD LYS C 21 32.615 7.478 19.943 1.00 0.00 C ATOM 332 CE LYS C 21 32.042 7.651 21.353 1.00 0.00 C ATOM 333 NZ LYS C 21 30.571 7.430 21.315 1.00 0.00 N1+ ATOM 0 H LYS C 21 35.351 7.309 16.223 1.00 0.00 H new ATOM 0 HA LYS C 21 33.836 9.045 17.841 1.00 0.00 H new ATOM 0 HB2 LYS C 21 34.133 6.523 18.074 1.00 0.00 H new ATOM 0 HB3 LYS C 21 35.740 6.821 18.707 1.00 0.00 H new ATOM 0 HG2 LYS C 21 34.495 6.727 20.702 1.00 0.00 H new ATOM 0 HG3 LYS C 21 34.490 8.453 20.397 1.00 0.00 H new ATOM 0 HD2 LYS C 21 32.260 8.278 19.294 1.00 0.00 H new ATOM 0 HD3 LYS C 21 32.269 6.539 19.510 1.00 0.00 H new ATOM 0 HE2 LYS C 21 32.510 6.944 22.038 1.00 0.00 H new ATOM 0 HE3 LYS C 21 32.262 8.651 21.727 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 30.178 7.547 22.271 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 30.133 8.121 20.673 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 30.373 6.468 20.974 1.00 0.00 H new ATOM 347 N ALA C 22 37.121 9.251 18.133 1.00 0.00 N ATOM 348 CA ALA C 22 38.191 10.063 18.698 1.00 0.00 C ATOM 349 C ALA C 22 37.992 11.526 18.323 1.00 0.00 C ATOM 350 O ALA C 22 38.147 12.417 19.159 1.00 0.00 O ATOM 351 CB ALA C 22 39.545 9.584 18.171 1.00 0.00 C ATOM 0 H ALA C 22 37.431 8.518 17.495 1.00 0.00 H new ATOM 0 HA ALA C 22 38.169 9.963 19.783 1.00 0.00 H new ATOM 0 HB1 ALA C 22 40.339 10.196 18.598 1.00 0.00 H new ATOM 0 HB2 ALA C 22 39.698 8.543 18.454 1.00 0.00 H new ATOM 0 HB3 ALA C 22 39.564 9.671 17.085 1.00 0.00 H new ATOM 357 N ALA C 23 37.628 11.766 17.066 1.00 0.00 N ATOM 358 CA ALA C 23 37.392 13.128 16.605 1.00 0.00 C ATOM 359 C ALA C 23 36.225 13.751 17.366 1.00 0.00 C ATOM 360 O ALA C 23 36.261 14.927 17.727 1.00 0.00 O ATOM 361 CB ALA C 23 37.091 13.132 15.102 1.00 0.00 C ATOM 0 H ALA C 23 37.492 11.045 16.358 1.00 0.00 H new ATOM 0 HA ALA C 23 38.290 13.717 16.791 1.00 0.00 H new ATOM 0 HB1 ALA C 23 36.916 14.155 14.769 1.00 0.00 H new ATOM 0 HB2 ALA C 23 37.939 12.714 14.560 1.00 0.00 H new ATOM 0 HB3 ALA C 23 36.203 12.530 14.907 1.00 0.00 H new ATOM 367 N PHE C 24 35.189 12.952 17.605 1.00 0.00 N ATOM 368 CA PHE C 24 34.012 13.432 18.321 1.00 0.00 C ATOM 369 C PHE C 24 34.396 13.904 19.721 1.00 0.00 C ATOM 370 O PHE C 24 33.969 14.970 20.161 1.00 0.00 O ATOM 371 CB PHE C 24 32.966 12.319 18.424 1.00 0.00 C ATOM 372 CG PHE C 24 31.714 12.860 19.074 1.00 0.00 C ATOM 373 CD1 PHE C 24 30.734 13.480 18.290 1.00 0.00 C ATOM 374 CD2 PHE C 24 31.533 12.747 20.459 1.00 0.00 C ATOM 375 CE1 PHE C 24 29.571 13.984 18.887 1.00 0.00 C ATOM 376 CE2 PHE C 24 30.371 13.253 21.056 1.00 0.00 C ATOM 377 CZ PHE C 24 29.391 13.871 20.271 1.00 0.00 C ATOM 0 H PHE C 24 35.141 11.975 17.315 1.00 0.00 H new ATOM 0 HA PHE C 24 33.591 14.271 17.767 1.00 0.00 H new ATOM 0 HB2 PHE C 24 32.734 11.931 17.432 1.00 0.00 H new ATOM 0 HB3 PHE C 24 33.361 11.488 19.008 1.00 0.00 H new ATOM 0 HD1 PHE C 24 30.875 13.570 17.223 1.00 0.00 H new ATOM 0 HD2 PHE C 24 32.289 12.270 21.066 1.00 0.00 H new ATOM 0 HE1 PHE C 24 28.814 14.459 18.280 1.00 0.00 H new ATOM 0 HE2 PHE C 24 30.231 13.166 22.123 1.00 0.00 H new ATOM 0 HZ PHE C 24 28.496 14.261 20.733 1.00 0.00 H new ATOM 387 N ASP C 25 35.199 13.103 20.418 1.00 0.00 N ATOM 388 CA ASP C 25 35.627 13.449 21.772 1.00 0.00 C ATOM 389 C ASP C 25 36.384 14.776 21.778 1.00 0.00 C ATOM 390 O ASP C 25 36.134 15.642 22.614 1.00 0.00 O ATOM 391 CB ASP C 25 36.523 12.346 22.334 1.00 0.00 C ATOM 392 CG ASP C 25 36.962 12.704 23.748 1.00 0.00 C ATOM 393 OD1 ASP C 25 37.859 13.521 23.879 1.00 0.00 O ATOM 394 OD2 ASP C 25 36.401 12.152 24.680 1.00 0.00 O1- ATOM 0 H ASP C 25 35.564 12.216 20.071 1.00 0.00 H new ATOM 0 HA ASP C 25 34.739 13.550 22.396 1.00 0.00 H new ATOM 0 HB2 ASP C 25 35.986 11.397 22.340 1.00 0.00 H new ATOM 0 HB3 ASP C 25 37.396 12.214 21.695 1.00 0.00 H new ATOM 399 N ILE C 26 37.303 14.932 20.831 1.00 0.00 N ATOM 400 CA ILE C 26 38.081 16.154 20.718 1.00 0.00 C ATOM 401 C ILE C 26 37.177 17.340 20.402 1.00 0.00 C ATOM 402 O ILE C 26 37.374 18.444 20.910 1.00 0.00 O ATOM 403 CB ILE C 26 39.132 15.991 19.631 1.00 0.00 C ATOM 404 CG1 ILE C 26 40.188 14.989 20.098 1.00 0.00 C ATOM 405 CG2 ILE C 26 39.787 17.338 19.369 1.00 0.00 C ATOM 406 CD1 ILE C 26 41.070 14.590 18.916 1.00 0.00 C ATOM 0 H ILE C 26 37.525 14.224 20.131 1.00 0.00 H new ATOM 0 HA ILE C 26 38.575 16.346 21.671 1.00 0.00 H new ATOM 0 HB ILE C 26 38.667 15.626 18.715 1.00 0.00 H new ATOM 0 HG12 ILE C 26 40.797 15.428 20.888 1.00 0.00 H new ATOM 0 HG13 ILE C 26 39.706 14.107 20.520 1.00 0.00 H new ATOM 0 HG21 ILE C 26 40.542 17.230 18.591 1.00 0.00 H new ATOM 0 HG22 ILE C 26 39.031 18.053 19.045 1.00 0.00 H new ATOM 0 HG23 ILE C 26 40.258 17.698 20.284 1.00 0.00 H new ATOM 0 HD11 ILE C 26 41.823 13.876 19.249 1.00 0.00 H new ATOM 0 HD12 ILE C 26 40.455 14.134 18.141 1.00 0.00 H new ATOM 0 HD13 ILE C 26 41.562 15.476 18.514 1.00 0.00 H new ATOM 418 N PHE C 27 36.195 17.104 19.543 1.00 0.00 N ATOM 419 CA PHE C 27 35.269 18.157 19.146 1.00 0.00 C ATOM 420 C PHE C 27 34.585 18.747 20.376 1.00 0.00 C ATOM 421 O PHE C 27 34.361 19.955 20.452 1.00 0.00 O ATOM 422 CB PHE C 27 34.216 17.588 18.190 1.00 0.00 C ATOM 423 CG PHE C 27 34.702 17.691 16.762 1.00 0.00 C ATOM 424 CD1 PHE C 27 36.052 17.473 16.454 1.00 0.00 C ATOM 425 CD2 PHE C 27 33.797 18.009 15.741 1.00 0.00 C ATOM 426 CE1 PHE C 27 36.491 17.576 15.131 1.00 0.00 C ATOM 427 CE2 PHE C 27 34.239 18.109 14.417 1.00 0.00 C ATOM 428 CZ PHE C 27 35.586 17.893 14.112 1.00 0.00 C ATOM 0 H PHE C 27 36.019 16.198 19.109 1.00 0.00 H new ATOM 0 HA PHE C 27 35.826 18.945 18.640 1.00 0.00 H new ATOM 0 HB2 PHE C 27 34.012 16.547 18.439 1.00 0.00 H new ATOM 0 HB3 PHE C 27 33.278 18.132 18.304 1.00 0.00 H new ATOM 0 HD1 PHE C 27 36.752 17.226 17.238 1.00 0.00 H new ATOM 0 HD2 PHE C 27 32.756 18.177 15.976 1.00 0.00 H new ATOM 0 HE1 PHE C 27 37.532 17.410 14.895 1.00 0.00 H new ATOM 0 HE2 PHE C 27 33.540 18.353 13.631 1.00 0.00 H new ATOM 0 HZ PHE C 27 35.928 17.971 13.091 1.00 0.00 H new ATOM 438 N VAL C 28 34.261 17.893 21.341 1.00 0.00 N ATOM 439 CA VAL C 28 33.611 18.351 22.566 1.00 0.00 C ATOM 440 C VAL C 28 34.645 18.665 23.641 1.00 0.00 C ATOM 441 O VAL C 28 34.378 18.510 24.833 1.00 0.00 O ATOM 442 CB VAL C 28 32.641 17.286 23.082 1.00 0.00 C ATOM 443 CG1 VAL C 28 31.557 17.045 22.037 1.00 0.00 C ATOM 444 CG2 VAL C 28 33.391 15.979 23.327 1.00 0.00 C ATOM 0 H VAL C 28 34.435 16.889 21.301 1.00 0.00 H new ATOM 0 HA VAL C 28 33.057 19.261 22.335 1.00 0.00 H new ATOM 0 HB VAL C 28 32.193 17.630 24.014 1.00 0.00 H new ATOM 0 HG11 VAL C 28 30.863 16.287 22.400 1.00 0.00 H new ATOM 0 HG12 VAL C 28 31.016 17.973 21.853 1.00 0.00 H new ATOM 0 HG13 VAL C 28 32.016 16.702 21.109 1.00 0.00 H new ATOM 0 HG21 VAL C 28 32.696 15.224 23.694 1.00 0.00 H new ATOM 0 HG22 VAL C 28 33.839 15.636 22.394 1.00 0.00 H new ATOM 0 HG23 VAL C 28 34.174 16.142 24.068 1.00 0.00 H new ATOM 454 N LEU C 29 35.826 19.100 23.207 1.00 0.00 N ATOM 455 CA LEU C 29 36.906 19.435 24.132 1.00 0.00 C ATOM 456 C LEU C 29 36.358 20.055 25.412 1.00 0.00 C ATOM 457 O LEU C 29 36.830 19.753 26.509 1.00 0.00 O ATOM 458 CB LEU C 29 37.879 20.410 23.472 1.00 0.00 C ATOM 459 CG LEU C 29 37.114 21.608 22.909 1.00 0.00 C ATOM 460 CD1 LEU C 29 37.464 22.853 23.721 1.00 0.00 C ATOM 461 CD2 LEU C 29 37.508 21.815 21.446 1.00 0.00 C ATOM 0 H LEU C 29 36.059 19.229 22.222 1.00 0.00 H new ATOM 0 HA LEU C 29 37.428 18.513 24.387 1.00 0.00 H new ATOM 0 HB2 LEU C 29 38.618 20.748 24.199 1.00 0.00 H new ATOM 0 HB3 LEU C 29 38.425 19.908 22.673 1.00 0.00 H new ATOM 0 HG LEU C 29 36.041 21.426 22.971 1.00 0.00 H new ATOM 0 HD11 LEU C 29 36.921 23.711 23.324 1.00 0.00 H new ATOM 0 HD12 LEU C 29 37.185 22.698 24.763 1.00 0.00 H new ATOM 0 HD13 LEU C 29 38.536 23.040 23.656 1.00 0.00 H new ATOM 0 HD21 LEU C 29 36.965 22.668 21.040 1.00 0.00 H new ATOM 0 HD22 LEU C 29 38.580 22.003 21.381 1.00 0.00 H new ATOM 0 HD23 LEU C 29 37.261 20.922 20.873 1.00 0.00 H new ATOM 473 N GLY C 30 35.356 20.913 25.267 1.00 0.00 N ATOM 474 CA GLY C 30 34.749 21.561 26.421 1.00 0.00 C ATOM 475 C GLY C 30 33.290 21.913 26.148 1.00 0.00 C ATOM 476 O GLY C 30 32.874 23.056 26.334 1.00 0.00 O ATOM 0 H GLY C 30 34.949 21.174 24.369 1.00 0.00 H new ATOM 0 HA2 GLY C 30 34.812 20.902 27.287 1.00 0.00 H new ATOM 0 HA3 GLY C 30 35.305 22.466 26.668 1.00 0.00 H new ATOM 480 N ALA C 31 32.514 20.927 25.703 1.00 0.00 N ATOM 481 CA ALA C 31 31.102 21.160 25.413 1.00 0.00 C ATOM 482 C ALA C 31 30.245 20.814 26.624 1.00 0.00 C ATOM 483 O ALA C 31 30.258 19.680 27.103 1.00 0.00 O ATOM 484 CB ALA C 31 30.662 20.313 24.221 1.00 0.00 C ATOM 0 H ALA C 31 32.833 19.973 25.537 1.00 0.00 H new ATOM 0 HA ALA C 31 30.972 22.216 25.174 1.00 0.00 H new ATOM 0 HB1 ALA C 31 29.607 20.495 24.015 1.00 0.00 H new ATOM 0 HB2 ALA C 31 31.255 20.580 23.346 1.00 0.00 H new ATOM 0 HB3 ALA C 31 30.810 19.258 24.450 1.00 0.00 H new ATOM 490 N GLU C 32 29.499 21.797 27.113 1.00 0.00 N ATOM 491 CA GLU C 32 28.638 21.585 28.268 1.00 0.00 C ATOM 492 C GLU C 32 27.559 20.559 27.953 1.00 0.00 C ATOM 493 O GLU C 32 27.218 19.720 28.787 1.00 0.00 O ATOM 494 CB GLU C 32 27.993 22.906 28.695 1.00 0.00 C ATOM 495 CG GLU C 32 29.062 23.825 29.292 1.00 0.00 C ATOM 496 CD GLU C 32 28.433 25.147 29.717 1.00 0.00 C ATOM 497 OE1 GLU C 32 27.334 25.114 30.247 1.00 0.00 O ATOM 498 OE2 GLU C 32 29.058 26.174 29.508 1.00 0.00 O1- ATOM 0 H GLU C 32 29.473 22.742 26.730 1.00 0.00 H new ATOM 0 HA GLU C 32 29.250 21.206 29.086 1.00 0.00 H new ATOM 0 HB2 GLU C 32 27.522 23.387 27.838 1.00 0.00 H new ATOM 0 HB3 GLU C 32 27.208 22.720 29.428 1.00 0.00 H new ATOM 0 HG2 GLU C 32 29.530 23.343 30.150 1.00 0.00 H new ATOM 0 HG3 GLU C 32 29.849 24.006 28.559 1.00 0.00 H new ATOM 505 N ASP C 33 27.029 20.637 26.743 1.00 0.00 N ATOM 506 CA ASP C 33 25.986 19.713 26.314 1.00 0.00 C ATOM 507 C ASP C 33 26.587 18.370 25.900 1.00 0.00 C ATOM 508 O ASP C 33 25.870 17.378 25.763 1.00 0.00 O ATOM 509 CB ASP C 33 25.201 20.318 25.148 1.00 0.00 C ATOM 510 CG ASP C 33 26.130 20.574 23.967 1.00 0.00 C ATOM 511 OD1 ASP C 33 27.305 20.267 24.084 1.00 0.00 O ATOM 512 OD2 ASP C 33 25.653 21.075 22.961 1.00 0.00 O1- ATOM 0 H ASP C 33 27.301 21.326 26.042 1.00 0.00 H new ATOM 0 HA ASP C 33 25.310 19.542 27.152 1.00 0.00 H new ATOM 0 HB2 ASP C 33 24.399 19.642 24.850 1.00 0.00 H new ATOM 0 HB3 ASP C 33 24.732 21.251 25.461 1.00 0.00 H new ATOM 517 N GLY C 34 27.904 18.342 25.707 1.00 0.00 N ATOM 518 CA GLY C 34 28.587 17.112 25.316 1.00 0.00 C ATOM 519 C GLY C 34 28.325 16.795 23.849 1.00 0.00 C ATOM 520 O GLY C 34 28.506 15.662 23.404 1.00 0.00 O ATOM 0 H GLY C 34 28.516 19.151 25.814 1.00 0.00 H new ATOM 0 HA2 GLY C 34 29.659 17.215 25.485 1.00 0.00 H new ATOM 0 HA3 GLY C 34 28.244 16.286 25.939 1.00 0.00 H new ATOM 524 N CYS C 35 27.895 17.812 23.110 1.00 0.00 N ATOM 525 CA CYS C 35 27.598 17.649 21.687 1.00 0.00 C ATOM 526 C CYS C 35 28.259 18.752 20.864 1.00 0.00 C ATOM 527 O CYS C 35 28.818 19.703 21.413 1.00 0.00 O ATOM 528 CB CYS C 35 26.088 17.659 21.451 1.00 0.00 C ATOM 529 SG CYS C 35 25.330 16.291 22.363 1.00 0.00 S ATOM 0 H CYS C 35 27.744 18.755 23.468 1.00 0.00 H new ATOM 0 HA CYS C 35 28.001 16.688 21.368 1.00 0.00 H new ATOM 0 HB2 CYS C 35 25.664 18.608 21.778 1.00 0.00 H new ATOM 0 HB3 CYS C 35 25.874 17.564 20.386 1.00 0.00 H new ATOM 0 HG CYS C 35 25.451 16.501 23.640 1.00 0.00 H new ATOM 535 N ILE C 36 28.205 18.611 19.542 1.00 0.00 N ATOM 536 CA ILE C 36 28.816 19.597 18.664 1.00 0.00 C ATOM 537 C ILE C 36 27.777 20.633 18.235 1.00 0.00 C ATOM 538 O ILE C 36 26.748 20.292 17.651 1.00 0.00 O ATOM 539 CB ILE C 36 29.382 18.911 17.422 1.00 0.00 C ATOM 540 CG1 ILE C 36 29.762 17.458 17.751 1.00 0.00 C ATOM 541 CG2 ILE C 36 30.610 19.675 16.918 1.00 0.00 C ATOM 542 CD1 ILE C 36 30.673 17.396 18.979 1.00 0.00 C ATOM 0 H ILE C 36 27.750 17.834 19.063 1.00 0.00 H new ATOM 0 HA ILE C 36 29.621 20.093 19.205 1.00 0.00 H new ATOM 0 HB ILE C 36 28.622 18.908 16.640 1.00 0.00 H new ATOM 0 HG12 ILE C 36 28.860 16.874 17.933 1.00 0.00 H new ATOM 0 HG13 ILE C 36 30.266 17.007 16.896 1.00 0.00 H new ATOM 0 HG21 ILE C 36 31.008 19.180 16.032 1.00 0.00 H new ATOM 0 HG22 ILE C 36 30.325 20.696 16.666 1.00 0.00 H new ATOM 0 HG23 ILE C 36 31.372 19.693 17.697 1.00 0.00 H new ATOM 0 HD11 ILE C 36 30.928 16.358 19.191 1.00 0.00 H new ATOM 0 HD12 ILE C 36 31.585 17.961 18.784 1.00 0.00 H new ATOM 0 HD13 ILE C 36 30.156 17.825 19.837 1.00 0.00 H new ATOM 554 N SER C 37 28.057 21.896 18.534 1.00 0.00 N ATOM 555 CA SER C 37 27.150 22.984 18.185 1.00 0.00 C ATOM 556 C SER C 37 27.910 24.086 17.454 1.00 0.00 C ATOM 557 O SER C 37 29.047 23.886 17.022 1.00 0.00 O ATOM 558 CB SER C 37 26.505 23.557 19.448 1.00 0.00 C ATOM 559 OG SER C 37 27.441 24.389 20.119 1.00 0.00 O ATOM 0 H SER C 37 28.905 22.193 19.017 1.00 0.00 H new ATOM 0 HA SER C 37 26.371 22.592 17.531 1.00 0.00 H new ATOM 0 HB2 SER C 37 25.614 24.129 19.188 1.00 0.00 H new ATOM 0 HB3 SER C 37 26.184 22.748 20.105 1.00 0.00 H new ATOM 0 HG SER C 37 28.346 24.040 19.981 1.00 0.00 H new ATOM 565 N THR C 38 27.274 25.241 17.315 1.00 0.00 N ATOM 566 CA THR C 38 27.895 26.363 16.632 1.00 0.00 C ATOM 567 C THR C 38 29.121 26.843 17.403 1.00 0.00 C ATOM 568 O THR C 38 30.015 27.472 16.839 1.00 0.00 O ATOM 569 CB THR C 38 26.887 27.504 16.500 1.00 0.00 C ATOM 570 OG1 THR C 38 26.448 27.898 17.793 1.00 0.00 O ATOM 571 CG2 THR C 38 25.687 27.041 15.667 1.00 0.00 C ATOM 0 H THR C 38 26.333 25.423 17.665 1.00 0.00 H new ATOM 0 HA THR C 38 28.211 26.041 15.640 1.00 0.00 H new ATOM 0 HB THR C 38 27.361 28.350 16.003 1.00 0.00 H new ATOM 0 HG1 THR C 38 25.803 28.631 17.710 1.00 0.00 H new ATOM 0 HG21 THR C 38 24.971 27.858 15.575 1.00 0.00 H new ATOM 0 HG22 THR C 38 26.026 26.743 14.675 1.00 0.00 H new ATOM 0 HG23 THR C 38 25.209 26.193 16.157 1.00 0.00 H new ATOM 579 N LYS C 39 29.158 26.539 18.697 1.00 0.00 N ATOM 580 CA LYS C 39 30.283 26.943 19.532 1.00 0.00 C ATOM 581 C LYS C 39 31.465 25.994 19.347 1.00 0.00 C ATOM 582 O LYS C 39 32.596 26.432 19.125 1.00 0.00 O ATOM 583 CB LYS C 39 29.865 26.959 21.002 1.00 0.00 C ATOM 584 CG LYS C 39 30.034 28.371 21.567 1.00 0.00 C ATOM 585 CD LYS C 39 31.512 28.770 21.524 1.00 0.00 C ATOM 586 CE LYS C 39 31.949 29.253 22.907 1.00 0.00 C ATOM 587 NZ LYS C 39 31.733 28.165 23.901 1.00 0.00 N1+ ATOM 0 H LYS C 39 28.429 26.019 19.186 1.00 0.00 H new ATOM 0 HA LYS C 39 30.589 27.945 19.230 1.00 0.00 H new ATOM 0 HB2 LYS C 39 28.828 26.639 21.099 1.00 0.00 H new ATOM 0 HB3 LYS C 39 30.471 26.254 21.571 1.00 0.00 H new ATOM 0 HG2 LYS C 39 29.439 29.078 20.989 1.00 0.00 H new ATOM 0 HG3 LYS C 39 29.667 28.409 22.592 1.00 0.00 H new ATOM 0 HD2 LYS C 39 32.120 27.920 21.215 1.00 0.00 H new ATOM 0 HD3 LYS C 39 31.666 29.558 20.786 1.00 0.00 H new ATOM 0 HE2 LYS C 39 33.000 29.541 22.889 1.00 0.00 H new ATOM 0 HE3 LYS C 39 31.381 30.139 23.191 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 32.467 28.216 24.636 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 30.796 28.276 24.339 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 31.785 27.243 23.423 1.00 0.00 H new ATOM 601 N GLU C 40 31.197 24.695 19.434 1.00 0.00 N ATOM 602 CA GLU C 40 32.247 23.696 19.267 1.00 0.00 C ATOM 603 C GLU C 40 32.851 23.783 17.869 1.00 0.00 C ATOM 604 O GLU C 40 34.065 23.670 17.697 1.00 0.00 O ATOM 605 CB GLU C 40 31.673 22.293 19.499 1.00 0.00 C ATOM 606 CG GLU C 40 31.424 22.068 20.995 1.00 0.00 C ATOM 607 CD GLU C 40 30.300 22.971 21.488 1.00 0.00 C ATOM 608 OE1 GLU C 40 29.437 23.295 20.694 1.00 0.00 O ATOM 609 OE2 GLU C 40 30.320 23.326 22.656 1.00 0.00 O1- ATOM 0 H GLU C 40 30.270 24.312 19.618 1.00 0.00 H new ATOM 0 HA GLU C 40 33.031 23.891 19.998 1.00 0.00 H new ATOM 0 HB2 GLU C 40 30.741 22.176 18.945 1.00 0.00 H new ATOM 0 HB3 GLU C 40 32.365 21.541 19.120 1.00 0.00 H new ATOM 0 HG2 GLU C 40 31.166 21.024 21.174 1.00 0.00 H new ATOM 0 HG3 GLU C 40 32.336 22.272 21.557 1.00 0.00 H new ATOM 616 N LEU C 41 32.001 23.990 16.874 1.00 0.00 N ATOM 617 CA LEU C 41 32.467 24.094 15.503 1.00 0.00 C ATOM 618 C LEU C 41 33.232 25.397 15.304 1.00 0.00 C ATOM 619 O LEU C 41 34.207 25.449 14.555 1.00 0.00 O ATOM 620 CB LEU C 41 31.278 24.038 14.546 1.00 0.00 C ATOM 621 CG LEU C 41 31.750 23.493 13.201 1.00 0.00 C ATOM 622 CD1 LEU C 41 31.763 21.960 13.238 1.00 0.00 C ATOM 623 CD2 LEU C 41 30.811 23.970 12.093 1.00 0.00 C ATOM 0 H LEU C 41 30.992 24.088 16.991 1.00 0.00 H new ATOM 0 HA LEU C 41 33.135 23.259 15.294 1.00 0.00 H new ATOM 0 HB2 LEU C 41 30.494 23.402 14.956 1.00 0.00 H new ATOM 0 HB3 LEU C 41 30.849 25.032 14.420 1.00 0.00 H new ATOM 0 HG LEU C 41 32.758 23.857 13.002 1.00 0.00 H new ATOM 0 HD11 LEU C 41 32.101 21.576 12.276 1.00 0.00 H new ATOM 0 HD12 LEU C 41 32.440 21.621 14.022 1.00 0.00 H new ATOM 0 HD13 LEU C 41 30.757 21.592 13.443 1.00 0.00 H new ATOM 0 HD21 LEU C 41 31.151 23.579 11.134 1.00 0.00 H new ATOM 0 HD22 LEU C 41 29.801 23.612 12.293 1.00 0.00 H new ATOM 0 HD23 LEU C 41 30.810 25.060 12.061 1.00 0.00 H new ATOM 635 N GLY C 42 32.778 26.448 15.972 1.00 0.00 N ATOM 636 CA GLY C 42 33.422 27.748 15.854 1.00 0.00 C ATOM 637 C GLY C 42 34.874 27.687 16.306 1.00 0.00 C ATOM 638 O GLY C 42 35.750 28.288 15.686 1.00 0.00 O ATOM 0 H GLY C 42 31.972 26.427 16.597 1.00 0.00 H new ATOM 0 HA2 GLY C 42 33.375 28.087 14.819 1.00 0.00 H new ATOM 0 HA3 GLY C 42 32.882 28.480 16.455 1.00 0.00 H new ATOM 642 N LYS C 43 35.132 26.961 17.390 1.00 0.00 N ATOM 643 CA LYS C 43 36.482 26.840 17.900 1.00 0.00 C ATOM 644 C LYS C 43 37.319 25.972 16.971 1.00 0.00 C ATOM 645 O LYS C 43 38.486 26.251 16.721 1.00 0.00 O ATOM 646 CB LYS C 43 36.446 26.242 19.300 1.00 0.00 C ATOM 647 CG LYS C 43 37.826 26.356 19.927 1.00 0.00 C ATOM 648 CD LYS C 43 37.753 25.922 21.388 1.00 0.00 C ATOM 649 CE LYS C 43 39.094 26.197 22.071 1.00 0.00 C ATOM 650 NZ LYS C 43 39.314 27.670 22.155 1.00 0.00 N1+ ATOM 0 H LYS C 43 34.426 26.454 17.924 1.00 0.00 H new ATOM 0 HA LYS C 43 36.938 27.829 17.948 1.00 0.00 H new ATOM 0 HB2 LYS C 43 35.711 26.764 19.913 1.00 0.00 H new ATOM 0 HB3 LYS C 43 36.139 25.197 19.254 1.00 0.00 H new ATOM 0 HG2 LYS C 43 38.537 25.732 19.385 1.00 0.00 H new ATOM 0 HG3 LYS C 43 38.186 27.383 19.858 1.00 0.00 H new ATOM 0 HD2 LYS C 43 36.955 26.461 21.899 1.00 0.00 H new ATOM 0 HD3 LYS C 43 37.512 24.861 21.451 1.00 0.00 H new ATOM 0 HE2 LYS C 43 39.103 25.759 23.069 1.00 0.00 H new ATOM 0 HE3 LYS C 43 39.903 25.729 21.510 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 39.982 27.878 22.924 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 39.705 28.015 21.255 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 38.409 28.146 22.344 1.00 0.00 H new ATOM 664 N VAL C 44 36.705 24.921 16.456 1.00 0.00 N ATOM 665 CA VAL C 44 37.387 24.011 15.546 1.00 0.00 C ATOM 666 C VAL C 44 37.853 24.747 14.302 1.00 0.00 C ATOM 667 O VAL C 44 38.933 24.480 13.782 1.00 0.00 O ATOM 668 CB VAL C 44 36.442 22.889 15.134 1.00 0.00 C ATOM 669 CG1 VAL C 44 37.075 22.079 14.001 1.00 0.00 C ATOM 670 CG2 VAL C 44 36.193 21.970 16.328 1.00 0.00 C ATOM 0 H VAL C 44 35.735 24.675 16.651 1.00 0.00 H new ATOM 0 HA VAL C 44 38.254 23.597 16.061 1.00 0.00 H new ATOM 0 HB VAL C 44 35.498 23.317 14.796 1.00 0.00 H new ATOM 0 HG11 VAL C 44 36.399 21.276 13.706 1.00 0.00 H new ATOM 0 HG12 VAL C 44 37.259 22.731 13.147 1.00 0.00 H new ATOM 0 HG13 VAL C 44 38.018 21.652 14.342 1.00 0.00 H new ATOM 0 HG21 VAL C 44 35.517 21.167 16.034 1.00 0.00 H new ATOM 0 HG22 VAL C 44 37.139 21.544 16.663 1.00 0.00 H new ATOM 0 HG23 VAL C 44 35.745 22.542 17.140 1.00 0.00 H new ATOM 680 N MET C 45 37.017 25.655 13.817 1.00 0.00 N ATOM 681 CA MET C 45 37.337 26.408 12.614 1.00 0.00 C ATOM 682 C MET C 45 38.722 27.041 12.737 1.00 0.00 C ATOM 683 O MET C 45 39.338 27.423 11.740 1.00 0.00 O ATOM 684 CB MET C 45 36.295 27.508 12.396 1.00 0.00 C ATOM 685 CG MET C 45 35.044 26.914 11.746 1.00 0.00 C ATOM 686 SD MET C 45 35.399 26.498 10.023 1.00 0.00 S ATOM 687 CE MET C 45 34.386 25.002 9.942 1.00 0.00 C ATOM 0 H MET C 45 36.117 25.887 14.236 1.00 0.00 H new ATOM 0 HA MET C 45 37.330 25.725 11.765 1.00 0.00 H new ATOM 0 HB2 MET C 45 36.036 27.971 13.348 1.00 0.00 H new ATOM 0 HB3 MET C 45 36.708 28.293 11.762 1.00 0.00 H new ATOM 0 HG2 MET C 45 34.728 26.023 12.288 1.00 0.00 H new ATOM 0 HG3 MET C 45 34.221 27.627 11.797 1.00 0.00 H new ATOM 0 HE1 MET C 45 34.457 24.568 8.945 1.00 0.00 H new ATOM 0 HE2 MET C 45 34.743 24.281 10.678 1.00 0.00 H new ATOM 0 HE3 MET C 45 33.347 25.254 10.155 1.00 0.00 H new ATOM 697 N ARG C 46 39.206 27.145 13.968 1.00 0.00 N ATOM 698 CA ARG C 46 40.517 27.728 14.221 1.00 0.00 C ATOM 699 C ARG C 46 41.604 26.907 13.531 1.00 0.00 C ATOM 700 O ARG C 46 42.587 27.453 13.031 1.00 0.00 O ATOM 701 CB ARG C 46 40.792 27.760 15.729 1.00 0.00 C ATOM 702 CG ARG C 46 39.833 28.734 16.430 1.00 0.00 C ATOM 703 CD ARG C 46 40.356 30.172 16.325 1.00 0.00 C ATOM 704 NE ARG C 46 39.504 31.072 17.095 1.00 0.00 N ATOM 705 CZ ARG C 46 39.693 31.239 18.399 1.00 0.00 C ATOM 706 NH1 ARG C 46 40.638 30.580 19.010 1.00 0.00 N ATOM 707 NH2 ARG C 46 38.932 32.061 19.068 1.00 0.00 N1+ ATOM 0 H ARG C 46 38.712 26.834 14.805 1.00 0.00 H new ATOM 0 HA ARG C 46 40.527 28.743 13.825 1.00 0.00 H new ATOM 0 HB2 ARG C 46 40.675 26.760 16.147 1.00 0.00 H new ATOM 0 HB3 ARG C 46 41.823 28.062 15.910 1.00 0.00 H new ATOM 0 HG2 ARG C 46 38.843 28.667 15.979 1.00 0.00 H new ATOM 0 HG3 ARG C 46 39.725 28.456 17.478 1.00 0.00 H new ATOM 0 HD2 ARG C 46 41.380 30.223 16.695 1.00 0.00 H new ATOM 0 HD3 ARG C 46 40.378 30.484 15.281 1.00 0.00 H new ATOM 0 HE ARG C 46 38.754 31.579 16.626 1.00 0.00 H new ATOM 0 HH11 ARG C 46 41.232 29.937 18.486 1.00 0.00 H new ATOM 0 HH12 ARG C 46 40.784 30.708 20.011 1.00 0.00 H new ATOM 0 HH21 ARG C 46 38.192 32.575 18.590 1.00 0.00 H new ATOM 0 HH22 ARG C 46 39.077 32.190 20.069 1.00 0.00 H new ATOM 721 N MET C 47 41.424 25.590 13.521 1.00 0.00 N ATOM 722 CA MET C 47 42.397 24.700 12.902 1.00 0.00 C ATOM 723 C MET C 47 42.510 25.001 11.413 1.00 0.00 C ATOM 724 O MET C 47 43.602 25.007 10.847 1.00 0.00 O ATOM 725 CB MET C 47 41.971 23.245 13.109 1.00 0.00 C ATOM 726 CG MET C 47 42.060 22.896 14.596 1.00 0.00 C ATOM 727 SD MET C 47 41.409 21.229 14.864 1.00 0.00 S ATOM 728 CE MET C 47 41.371 21.286 16.673 1.00 0.00 C ATOM 0 H MET C 47 40.618 25.119 13.932 1.00 0.00 H new ATOM 0 HA MET C 47 43.370 24.859 13.367 1.00 0.00 H new ATOM 0 HB2 MET C 47 40.952 23.098 12.750 1.00 0.00 H new ATOM 0 HB3 MET C 47 42.612 22.581 12.529 1.00 0.00 H new ATOM 0 HG2 MET C 47 43.095 22.952 14.932 1.00 0.00 H new ATOM 0 HG3 MET C 47 41.494 23.618 15.185 1.00 0.00 H new ATOM 0 HE1 MET C 47 40.993 20.339 17.059 1.00 0.00 H new ATOM 0 HE2 MET C 47 42.378 21.457 17.053 1.00 0.00 H new ATOM 0 HE3 MET C 47 40.718 22.096 16.998 1.00 0.00 H new ATOM 738 N LEU C 48 41.368 25.267 10.792 1.00 0.00 N ATOM 739 CA LEU C 48 41.330 25.590 9.370 1.00 0.00 C ATOM 740 C LEU C 48 42.013 26.929 9.108 1.00 0.00 C ATOM 741 O LEU C 48 42.585 27.144 8.040 1.00 0.00 O ATOM 742 CB LEU C 48 39.883 25.636 8.882 1.00 0.00 C ATOM 743 CG LEU C 48 39.308 24.215 8.844 1.00 0.00 C ATOM 744 CD1 LEU C 48 37.803 24.285 8.589 1.00 0.00 C ATOM 745 CD2 LEU C 48 39.975 23.390 7.729 1.00 0.00 C ATOM 0 H LEU C 48 40.456 25.266 11.249 1.00 0.00 H new ATOM 0 HA LEU C 48 41.865 24.814 8.823 1.00 0.00 H new ATOM 0 HB2 LEU C 48 39.285 26.264 9.543 1.00 0.00 H new ATOM 0 HB3 LEU C 48 39.837 26.084 7.890 1.00 0.00 H new ATOM 0 HG LEU C 48 39.503 23.733 9.802 1.00 0.00 H new ATOM 0 HD11 LEU C 48 37.391 23.276 8.561 1.00 0.00 H new ATOM 0 HD12 LEU C 48 37.324 24.850 9.389 1.00 0.00 H new ATOM 0 HD13 LEU C 48 37.618 24.778 7.635 1.00 0.00 H new ATOM 0 HD21 LEU C 48 39.553 22.385 7.718 1.00 0.00 H new ATOM 0 HD22 LEU C 48 39.797 23.869 6.766 1.00 0.00 H new ATOM 0 HD23 LEU C 48 41.048 23.332 7.912 1.00 0.00 H new ATOM 757 N GLY C 49 41.953 27.824 10.091 1.00 0.00 N ATOM 758 CA GLY C 49 42.576 29.136 9.947 1.00 0.00 C ATOM 759 C GLY C 49 41.549 30.197 9.566 1.00 0.00 C ATOM 760 O GLY C 49 41.883 31.199 8.934 1.00 0.00 O ATOM 0 H GLY C 49 41.486 27.668 10.984 1.00 0.00 H new ATOM 0 HA2 GLY C 49 43.061 29.415 10.882 1.00 0.00 H new ATOM 0 HA3 GLY C 49 43.354 29.090 9.185 1.00 0.00 H new ATOM 764 N GLN C 50 40.298 29.965 9.949 1.00 0.00 N ATOM 765 CA GLN C 50 39.226 30.902 9.639 1.00 0.00 C ATOM 766 C GLN C 50 38.233 30.985 10.794 1.00 0.00 C ATOM 767 O GLN C 50 38.178 30.099 11.644 1.00 0.00 O ATOM 768 CB GLN C 50 38.507 30.460 8.363 1.00 0.00 C ATOM 769 CG GLN C 50 37.989 29.031 8.533 1.00 0.00 C ATOM 770 CD GLN C 50 37.549 28.480 7.184 1.00 0.00 C ATOM 771 OE1 GLN C 50 36.405 28.673 6.774 1.00 0.00 O ATOM 772 NE2 GLN C 50 38.403 27.808 6.461 1.00 0.00 N ATOM 0 H GLN C 50 40.003 29.140 10.472 1.00 0.00 H new ATOM 0 HA GLN C 50 39.660 31.890 9.486 1.00 0.00 H new ATOM 0 HB2 GLN C 50 37.678 31.135 8.149 1.00 0.00 H new ATOM 0 HB3 GLN C 50 39.188 30.512 7.514 1.00 0.00 H new ATOM 0 HG2 GLN C 50 38.769 28.399 8.957 1.00 0.00 H new ATOM 0 HG3 GLN C 50 37.153 29.018 9.232 1.00 0.00 H new ATOM 0 HE21 GLN C 50 39.350 27.651 6.805 1.00 0.00 H new ATOM 0 HE22 GLN C 50 38.123 27.440 5.552 1.00 0.00 H new ATOM 781 N ASN C 51 37.454 32.062 10.819 1.00 0.00 N ATOM 782 CA ASN C 51 36.467 32.261 11.872 1.00 0.00 C ATOM 783 C ASN C 51 35.195 32.872 11.301 1.00 0.00 C ATOM 784 O ASN C 51 34.975 34.079 11.403 1.00 0.00 O ATOM 785 CB ASN C 51 37.032 33.176 12.960 1.00 0.00 C ATOM 786 CG ASN C 51 36.031 33.299 14.105 1.00 0.00 C ATOM 787 OD1 ASN C 51 35.004 33.961 13.960 1.00 0.00 O ATOM 788 ND2 ASN C 51 36.267 32.698 15.239 1.00 0.00 N ATOM 0 H ASN C 51 37.488 32.808 10.124 1.00 0.00 H new ATOM 0 HA ASN C 51 36.229 31.290 12.307 1.00 0.00 H new ATOM 0 HB2 ASN C 51 37.975 32.775 13.331 1.00 0.00 H new ATOM 0 HB3 ASN C 51 37.246 34.161 12.545 1.00 0.00 H new ATOM 0 HD21 ASN C 51 35.600 32.777 16.006 1.00 0.00 H new ATOM 0 HD22 ASN C 51 37.119 32.150 15.358 1.00 0.00 H new ATOM 795 N PRO C 52 34.363 32.064 10.704 1.00 0.00 N ATOM 796 CA PRO C 52 33.086 32.522 10.099 1.00 0.00 C ATOM 797 C PRO C 52 32.169 33.156 11.126 1.00 0.00 C ATOM 798 O PRO C 52 32.618 33.617 12.178 1.00 0.00 O ATOM 799 CB PRO C 52 32.455 31.253 9.527 1.00 0.00 C ATOM 800 CG PRO C 52 33.564 30.271 9.428 1.00 0.00 C ATOM 801 CD PRO C 52 34.547 30.620 10.537 1.00 0.00 C ATOM 0 HA PRO C 52 33.254 33.289 9.343 1.00 0.00 H new ATOM 0 HB2 PRO C 52 31.660 30.884 10.174 1.00 0.00 H new ATOM 0 HB3 PRO C 52 32.009 31.442 8.550 1.00 0.00 H new ATOM 0 HG2 PRO C 52 33.193 29.253 9.544 1.00 0.00 H new ATOM 0 HG3 PRO C 52 34.045 30.325 8.451 1.00 0.00 H new ATOM 0 HD2 PRO C 52 34.327 30.077 11.456 1.00 0.00 H new ATOM 0 HD3 PRO C 52 35.572 30.374 10.259 1.00 0.00 H new ATOM 809 N THR C 53 30.886 33.173 10.808 1.00 0.00 N ATOM 810 CA THR C 53 29.891 33.761 11.705 1.00 0.00 C ATOM 811 C THR C 53 28.926 32.700 12.248 1.00 0.00 C ATOM 812 O THR C 53 28.659 31.697 11.589 1.00 0.00 O ATOM 813 CB THR C 53 29.110 34.866 10.975 1.00 0.00 C ATOM 814 OG1 THR C 53 28.701 34.414 9.689 1.00 0.00 O ATOM 815 CG2 THR C 53 29.991 36.107 10.834 1.00 0.00 C ATOM 0 H THR C 53 30.505 32.791 9.943 1.00 0.00 H new ATOM 0 HA THR C 53 30.420 34.195 12.554 1.00 0.00 H new ATOM 0 HB THR C 53 28.222 35.116 11.556 1.00 0.00 H new ATOM 0 HG1 THR C 53 28.204 35.126 9.235 1.00 0.00 H new ATOM 0 HG21 THR C 53 29.437 36.890 10.316 1.00 0.00 H new ATOM 0 HG22 THR C 53 30.281 36.461 11.823 1.00 0.00 H new ATOM 0 HG23 THR C 53 30.884 35.856 10.262 1.00 0.00 H new ATOM 823 N PRO C 54 28.399 32.889 13.435 1.00 0.00 N ATOM 824 CA PRO C 54 27.453 31.907 14.048 1.00 0.00 C ATOM 825 C PRO C 54 26.166 31.735 13.237 1.00 0.00 C ATOM 826 O PRO C 54 25.535 30.679 13.282 1.00 0.00 O ATOM 827 CB PRO C 54 27.143 32.498 15.427 1.00 0.00 C ATOM 828 CG PRO C 54 27.497 33.944 15.339 1.00 0.00 C ATOM 829 CD PRO C 54 28.640 34.038 14.335 1.00 0.00 C ATOM 0 HA PRO C 54 27.892 30.910 14.090 1.00 0.00 H new ATOM 0 HB2 PRO C 54 26.091 32.368 15.681 1.00 0.00 H new ATOM 0 HB3 PRO C 54 27.722 32.000 16.205 1.00 0.00 H new ATOM 0 HG2 PRO C 54 26.642 34.536 15.013 1.00 0.00 H new ATOM 0 HG3 PRO C 54 27.800 34.331 16.312 1.00 0.00 H new ATOM 0 HD2 PRO C 54 28.623 34.984 13.793 1.00 0.00 H new ATOM 0 HD3 PRO C 54 29.612 33.969 14.824 1.00 0.00 H new ATOM 837 N GLU C 55 25.778 32.779 12.518 1.00 0.00 N ATOM 838 CA GLU C 55 24.554 32.744 11.717 1.00 0.00 C ATOM 839 C GLU C 55 24.626 31.694 10.607 1.00 0.00 C ATOM 840 O GLU C 55 23.714 30.880 10.442 1.00 0.00 O ATOM 841 CB GLU C 55 24.318 34.123 11.098 1.00 0.00 C ATOM 842 CG GLU C 55 25.465 34.463 10.148 1.00 0.00 C ATOM 843 CD GLU C 55 25.536 35.971 9.923 1.00 0.00 C ATOM 844 OE1 GLU C 55 25.819 36.680 10.874 1.00 0.00 O ATOM 845 OE2 GLU C 55 25.307 36.396 8.801 1.00 0.00 O1- ATOM 0 H GLU C 55 26.289 33.660 12.470 1.00 0.00 H new ATOM 0 HA GLU C 55 23.729 32.474 12.376 1.00 0.00 H new ATOM 0 HB2 GLU C 55 23.371 34.133 10.559 1.00 0.00 H new ATOM 0 HB3 GLU C 55 24.246 34.877 11.882 1.00 0.00 H new ATOM 0 HG2 GLU C 55 26.408 34.105 10.562 1.00 0.00 H new ATOM 0 HG3 GLU C 55 25.321 33.953 9.196 1.00 0.00 H new ATOM 852 N GLU C 56 25.717 31.716 9.857 1.00 0.00 N ATOM 853 CA GLU C 56 25.905 30.769 8.766 1.00 0.00 C ATOM 854 C GLU C 56 26.176 29.376 9.315 1.00 0.00 C ATOM 855 O GLU C 56 25.802 28.373 8.705 1.00 0.00 O ATOM 856 CB GLU C 56 27.060 31.217 7.863 1.00 0.00 C ATOM 857 CG GLU C 56 28.335 31.373 8.694 1.00 0.00 C ATOM 858 CD GLU C 56 29.521 31.697 7.789 1.00 0.00 C ATOM 859 OE1 GLU C 56 29.954 30.811 7.072 1.00 0.00 O ATOM 860 OE2 GLU C 56 29.981 32.828 7.827 1.00 0.00 O1- ATOM 0 H GLU C 56 26.484 32.377 9.982 1.00 0.00 H new ATOM 0 HA GLU C 56 24.991 30.738 8.173 1.00 0.00 H new ATOM 0 HB2 GLU C 56 27.219 30.486 7.070 1.00 0.00 H new ATOM 0 HB3 GLU C 56 26.811 32.162 7.380 1.00 0.00 H new ATOM 0 HG2 GLU C 56 28.203 32.166 9.430 1.00 0.00 H new ATOM 0 HG3 GLU C 56 28.531 30.455 9.247 1.00 0.00 H new ATOM 867 N LEU C 57 26.814 29.321 10.477 1.00 0.00 N ATOM 868 CA LEU C 57 27.107 28.039 11.099 1.00 0.00 C ATOM 869 C LEU C 57 25.815 27.309 11.426 1.00 0.00 C ATOM 870 O LEU C 57 25.698 26.099 11.227 1.00 0.00 O ATOM 871 CB LEU C 57 27.920 28.250 12.377 1.00 0.00 C ATOM 872 CG LEU C 57 29.342 28.688 12.011 1.00 0.00 C ATOM 873 CD1 LEU C 57 30.079 29.150 13.269 1.00 0.00 C ATOM 874 CD2 LEU C 57 30.114 27.526 11.368 1.00 0.00 C ATOM 0 H LEU C 57 27.134 30.136 11.000 1.00 0.00 H new ATOM 0 HA LEU C 57 27.689 27.436 10.402 1.00 0.00 H new ATOM 0 HB2 LEU C 57 27.445 29.006 13.002 1.00 0.00 H new ATOM 0 HB3 LEU C 57 27.950 27.328 12.958 1.00 0.00 H new ATOM 0 HG LEU C 57 29.279 29.510 11.298 1.00 0.00 H new ATOM 0 HD11 LEU C 57 31.090 29.461 13.005 1.00 0.00 H new ATOM 0 HD12 LEU C 57 29.546 29.990 13.715 1.00 0.00 H new ATOM 0 HD13 LEU C 57 30.127 28.329 13.985 1.00 0.00 H new ATOM 0 HD21 LEU C 57 31.122 27.855 11.114 1.00 0.00 H new ATOM 0 HD22 LEU C 57 30.170 26.694 12.070 1.00 0.00 H new ATOM 0 HD23 LEU C 57 29.599 27.204 10.463 1.00 0.00 H new ATOM 886 N GLN C 58 24.837 28.058 11.913 1.00 0.00 N ATOM 887 CA GLN C 58 23.550 27.467 12.250 1.00 0.00 C ATOM 888 C GLN C 58 22.823 27.004 10.997 1.00 0.00 C ATOM 889 O GLN C 58 22.184 25.951 10.991 1.00 0.00 O ATOM 890 CB GLN C 58 22.686 28.452 13.037 1.00 0.00 C ATOM 891 CG GLN C 58 21.367 27.770 13.410 1.00 0.00 C ATOM 892 CD GLN C 58 20.673 28.544 14.523 1.00 0.00 C ATOM 893 OE1 GLN C 58 20.816 29.763 14.620 1.00 0.00 O ATOM 894 NE2 GLN C 58 19.931 27.898 15.384 1.00 0.00 N ATOM 0 H GLN C 58 24.907 29.061 12.082 1.00 0.00 H new ATOM 0 HA GLN C 58 23.736 26.597 12.880 1.00 0.00 H new ATOM 0 HB2 GLN C 58 23.209 28.777 13.936 1.00 0.00 H new ATOM 0 HB3 GLN C 58 22.493 29.344 12.441 1.00 0.00 H new ATOM 0 HG2 GLN C 58 20.718 27.714 12.536 1.00 0.00 H new ATOM 0 HG3 GLN C 58 21.557 26.746 13.732 1.00 0.00 H new ATOM 0 HE21 GLN C 58 19.815 26.888 15.301 1.00 0.00 H new ATOM 0 HE22 GLN C 58 19.468 28.404 16.139 1.00 0.00 H new ATOM 903 N GLU C 59 22.916 27.798 9.940 1.00 0.00 N ATOM 904 CA GLU C 59 22.253 27.458 8.696 1.00 0.00 C ATOM 905 C GLU C 59 22.761 26.117 8.174 1.00 0.00 C ATOM 906 O GLU C 59 21.976 25.279 7.726 1.00 0.00 O ATOM 907 CB GLU C 59 22.527 28.555 7.670 1.00 0.00 C ATOM 908 CG GLU C 59 21.755 28.257 6.391 1.00 0.00 C ATOM 909 CD GLU C 59 21.947 29.389 5.386 1.00 0.00 C ATOM 910 OE1 GLU C 59 22.656 30.328 5.709 1.00 0.00 O ATOM 911 OE2 GLU C 59 21.379 29.301 4.310 1.00 0.00 O1- ATOM 0 H GLU C 59 23.439 28.673 9.921 1.00 0.00 H new ATOM 0 HA GLU C 59 21.180 27.376 8.869 1.00 0.00 H new ATOM 0 HB2 GLU C 59 22.229 29.524 8.070 1.00 0.00 H new ATOM 0 HB3 GLU C 59 23.595 28.612 7.458 1.00 0.00 H new ATOM 0 HG2 GLU C 59 22.098 27.316 5.961 1.00 0.00 H new ATOM 0 HG3 GLU C 59 20.695 28.136 6.616 1.00 0.00 H new ATOM 918 N MET C 60 24.072 25.906 8.240 1.00 0.00 N ATOM 919 CA MET C 60 24.648 24.650 7.772 1.00 0.00 C ATOM 920 C MET C 60 24.149 23.481 8.619 1.00 0.00 C ATOM 921 O MET C 60 23.834 22.408 8.094 1.00 0.00 O ATOM 922 CB MET C 60 26.176 24.700 7.838 1.00 0.00 C ATOM 923 CG MET C 60 26.716 25.676 6.784 1.00 0.00 C ATOM 924 SD MET C 60 28.512 25.462 6.602 1.00 0.00 S ATOM 925 CE MET C 60 29.057 26.297 8.115 1.00 0.00 C ATOM 0 H MET C 60 24.747 26.577 8.607 1.00 0.00 H new ATOM 0 HA MET C 60 24.336 24.506 6.738 1.00 0.00 H new ATOM 0 HB2 MET C 60 26.495 25.013 8.832 1.00 0.00 H new ATOM 0 HB3 MET C 60 26.588 23.705 7.669 1.00 0.00 H new ATOM 0 HG2 MET C 60 26.222 25.502 5.828 1.00 0.00 H new ATOM 0 HG3 MET C 60 26.491 26.702 7.077 1.00 0.00 H new ATOM 0 HE1 MET C 60 30.126 26.503 8.052 1.00 0.00 H new ATOM 0 HE2 MET C 60 28.513 27.235 8.229 1.00 0.00 H new ATOM 0 HE3 MET C 60 28.861 25.656 8.975 1.00 0.00 H new ATOM 935 N ILE C 61 24.077 23.696 9.930 1.00 0.00 N ATOM 936 CA ILE C 61 23.613 22.654 10.832 1.00 0.00 C ATOM 937 C ILE C 61 22.175 22.272 10.503 1.00 0.00 C ATOM 938 O ILE C 61 21.820 21.096 10.474 1.00 0.00 O ATOM 939 CB ILE C 61 23.705 23.109 12.281 1.00 0.00 C ATOM 940 CG1 ILE C 61 25.178 23.222 12.676 1.00 0.00 C ATOM 941 CG2 ILE C 61 23.006 22.077 13.165 1.00 0.00 C ATOM 942 CD1 ILE C 61 25.283 23.889 14.042 1.00 0.00 C ATOM 0 H ILE C 61 24.332 24.573 10.384 1.00 0.00 H new ATOM 0 HA ILE C 61 24.255 21.783 10.700 1.00 0.00 H new ATOM 0 HB ILE C 61 23.225 24.080 12.406 1.00 0.00 H new ATOM 0 HG12 ILE C 61 25.636 22.233 12.705 1.00 0.00 H new ATOM 0 HG13 ILE C 61 25.722 23.803 11.932 1.00 0.00 H new ATOM 0 HG21 ILE C 61 23.065 22.391 14.207 1.00 0.00 H new ATOM 0 HG22 ILE C 61 21.960 21.993 12.869 1.00 0.00 H new ATOM 0 HG23 ILE C 61 23.494 21.109 13.050 1.00 0.00 H new ATOM 0 HD11 ILE C 61 26.332 23.971 14.327 1.00 0.00 H new ATOM 0 HD12 ILE C 61 24.840 24.884 13.996 1.00 0.00 H new ATOM 0 HD13 ILE C 61 24.752 23.289 14.781 1.00 0.00 H new ATOM 954 N ASP C 62 21.349 23.281 10.259 1.00 0.00 N ATOM 955 CA ASP C 62 19.947 23.051 9.934 1.00 0.00 C ATOM 956 C ASP C 62 19.819 22.225 8.652 1.00 0.00 C ATOM 957 O ASP C 62 18.939 21.371 8.543 1.00 0.00 O ATOM 958 CB ASP C 62 19.218 24.386 9.766 1.00 0.00 C ATOM 959 CG ASP C 62 17.711 24.153 9.785 1.00 0.00 C ATOM 960 OD1 ASP C 62 17.228 23.458 8.908 1.00 0.00 O ATOM 961 OD2 ASP C 62 17.064 24.667 10.684 1.00 0.00 O1- ATOM 0 H ASP C 62 21.624 24.263 10.280 1.00 0.00 H new ATOM 0 HA ASP C 62 19.492 22.496 10.754 1.00 0.00 H new ATOM 0 HB2 ASP C 62 19.500 25.069 10.567 1.00 0.00 H new ATOM 0 HB3 ASP C 62 19.511 24.856 8.828 1.00 0.00 H new ATOM 966 N GLU C 63 20.688 22.492 7.681 1.00 0.00 N ATOM 967 CA GLU C 63 20.649 21.774 6.412 1.00 0.00 C ATOM 968 C GLU C 63 20.869 20.275 6.618 1.00 0.00 C ATOM 969 O GLU C 63 20.148 19.454 6.046 1.00 0.00 O ATOM 970 CB GLU C 63 21.747 22.320 5.495 1.00 0.00 C ATOM 971 CG GLU C 63 21.677 21.623 4.134 1.00 0.00 C ATOM 972 CD GLU C 63 22.746 22.177 3.203 1.00 0.00 C ATOM 973 OE1 GLU C 63 23.913 22.080 3.547 1.00 0.00 O ATOM 974 OE2 GLU C 63 22.385 22.687 2.154 1.00 0.00 O1- ATOM 0 H GLU C 63 21.423 23.196 7.748 1.00 0.00 H new ATOM 0 HA GLU C 63 19.667 21.920 5.963 1.00 0.00 H new ATOM 0 HB2 GLU C 63 21.628 23.396 5.370 1.00 0.00 H new ATOM 0 HB3 GLU C 63 22.726 22.158 5.947 1.00 0.00 H new ATOM 0 HG2 GLU C 63 21.815 20.549 4.260 1.00 0.00 H new ATOM 0 HG3 GLU C 63 20.691 21.768 3.694 1.00 0.00 H new ATOM 981 N VAL C 64 21.866 19.919 7.423 1.00 0.00 N ATOM 982 CA VAL C 64 22.156 18.508 7.670 1.00 0.00 C ATOM 983 C VAL C 64 21.230 17.934 8.739 1.00 0.00 C ATOM 984 O VAL C 64 20.887 16.752 8.700 1.00 0.00 O ATOM 985 CB VAL C 64 23.613 18.342 8.104 1.00 0.00 C ATOM 986 CG1 VAL C 64 23.842 19.113 9.402 1.00 0.00 C ATOM 987 CG2 VAL C 64 23.926 16.855 8.325 1.00 0.00 C ATOM 0 H VAL C 64 22.478 20.575 7.909 1.00 0.00 H new ATOM 0 HA VAL C 64 21.988 17.961 6.742 1.00 0.00 H new ATOM 0 HB VAL C 64 24.269 18.731 7.326 1.00 0.00 H new ATOM 0 HG11 VAL C 64 24.880 18.998 9.716 1.00 0.00 H new ATOM 0 HG12 VAL C 64 23.627 20.169 9.241 1.00 0.00 H new ATOM 0 HG13 VAL C 64 23.183 18.723 10.178 1.00 0.00 H new ATOM 0 HG21 VAL C 64 24.965 16.744 8.634 1.00 0.00 H new ATOM 0 HG22 VAL C 64 23.272 16.457 9.101 1.00 0.00 H new ATOM 0 HG23 VAL C 64 23.763 16.307 7.397 1.00 0.00 H new ATOM 997 N ASP C 65 20.829 18.773 9.693 1.00 0.00 N ATOM 998 CA ASP C 65 19.948 18.316 10.759 1.00 0.00 C ATOM 999 C ASP C 65 18.552 18.038 10.217 1.00 0.00 C ATOM 1000 O ASP C 65 17.930 18.902 9.597 1.00 0.00 O ATOM 1001 CB ASP C 65 19.845 19.369 11.864 1.00 0.00 C ATOM 1002 CG ASP C 65 21.075 19.344 12.764 1.00 0.00 C ATOM 1003 OD1 ASP C 65 21.921 18.487 12.562 1.00 0.00 O ATOM 1004 OD2 ASP C 65 21.141 20.175 13.659 1.00 0.00 O1- ATOM 0 H ASP C 65 21.096 19.756 9.748 1.00 0.00 H new ATOM 0 HA ASP C 65 20.372 17.399 11.168 1.00 0.00 H new ATOM 0 HB2 ASP C 65 19.737 20.358 11.419 1.00 0.00 H new ATOM 0 HB3 ASP C 65 18.951 19.188 12.460 1.00 0.00 H new ATOM 1009 N GLU C 66 18.059 16.837 10.474 1.00 0.00 N ATOM 1010 CA GLU C 66 16.726 16.456 10.026 1.00 0.00 C ATOM 1011 C GLU C 66 15.678 16.882 11.051 1.00 0.00 C ATOM 1012 O GLU C 66 14.485 16.925 10.750 1.00 0.00 O ATOM 1013 CB GLU C 66 16.671 14.940 9.812 1.00 0.00 C ATOM 1014 CG GLU C 66 17.546 14.553 8.610 1.00 0.00 C ATOM 1015 CD GLU C 66 19.021 14.558 9.002 1.00 0.00 C ATOM 1016 OE1 GLU C 66 19.303 14.702 10.179 1.00 0.00 O ATOM 1017 OE2 GLU C 66 19.847 14.420 8.115 1.00 0.00 O1- ATOM 0 H GLU C 66 18.558 16.111 10.988 1.00 0.00 H new ATOM 0 HA GLU C 66 16.510 16.960 9.084 1.00 0.00 H new ATOM 0 HB2 GLU C 66 17.018 14.424 10.707 1.00 0.00 H new ATOM 0 HB3 GLU C 66 15.642 14.625 9.641 1.00 0.00 H new ATOM 0 HG2 GLU C 66 17.262 13.564 8.249 1.00 0.00 H new ATOM 0 HG3 GLU C 66 17.379 15.252 7.790 1.00 0.00 H new ATOM 1024 N ASP C 67 16.131 17.193 12.263 1.00 0.00 N ATOM 1025 CA ASP C 67 15.220 17.614 13.320 1.00 0.00 C ATOM 1026 C ASP C 67 15.302 19.116 13.543 1.00 0.00 C ATOM 1027 O ASP C 67 14.470 19.697 14.240 1.00 0.00 O ATOM 1028 CB ASP C 67 15.558 16.876 14.614 1.00 0.00 C ATOM 1029 CG ASP C 67 16.976 17.221 15.055 1.00 0.00 C ATOM 1030 OD1 ASP C 67 17.589 18.056 14.409 1.00 0.00 O ATOM 1031 OD2 ASP C 67 17.430 16.644 16.028 1.00 0.00 O1- ATOM 0 H ASP C 67 17.114 17.162 12.534 1.00 0.00 H new ATOM 0 HA ASP C 67 14.202 17.370 13.016 1.00 0.00 H new ATOM 0 HB2 ASP C 67 14.849 17.150 15.395 1.00 0.00 H new ATOM 0 HB3 ASP C 67 15.467 15.800 14.464 1.00 0.00 H new ATOM 1036 N GLY C 68 16.301 19.743 12.940 1.00 0.00 N ATOM 1037 CA GLY C 68 16.464 21.181 13.078 1.00 0.00 C ATOM 1038 C GLY C 68 16.829 21.542 14.509 1.00 0.00 C ATOM 1039 O GLY C 68 16.602 22.668 14.954 1.00 0.00 O ATOM 0 H GLY C 68 17.002 19.285 12.358 1.00 0.00 H new ATOM 0 HA2 GLY C 68 17.241 21.531 12.399 1.00 0.00 H new ATOM 0 HA3 GLY C 68 15.541 21.686 12.794 1.00 0.00 H new ATOM 1043 N SER C 69 17.381 20.575 15.232 1.00 0.00 N ATOM 1044 CA SER C 69 17.757 20.805 16.622 1.00 0.00 C ATOM 1045 C SER C 69 18.777 21.936 16.733 1.00 0.00 C ATOM 1046 O SER C 69 18.836 22.621 17.754 1.00 0.00 O ATOM 1047 CB SER C 69 18.349 19.533 17.226 1.00 0.00 C ATOM 1048 OG SER C 69 19.551 19.205 16.542 1.00 0.00 O ATOM 0 H SER C 69 17.576 19.636 14.885 1.00 0.00 H new ATOM 0 HA SER C 69 16.857 21.087 17.169 1.00 0.00 H new ATOM 0 HB2 SER C 69 18.549 19.679 18.287 1.00 0.00 H new ATOM 0 HB3 SER C 69 17.636 18.713 17.146 1.00 0.00 H new ATOM 0 HG SER C 69 19.335 18.775 15.689 1.00 0.00 H new ATOM 1054 N GLY C 70 19.580 22.136 15.687 1.00 0.00 N ATOM 1055 CA GLY C 70 20.582 23.195 15.712 1.00 0.00 C ATOM 1056 C GLY C 70 21.926 22.662 16.200 1.00 0.00 C ATOM 1057 O GLY C 70 22.911 23.398 16.260 1.00 0.00 O ATOM 0 H GLY C 70 19.556 21.588 14.827 1.00 0.00 H new ATOM 0 HA2 GLY C 70 20.695 23.618 14.714 1.00 0.00 H new ATOM 0 HA3 GLY C 70 20.248 24.002 16.364 1.00 0.00 H new ATOM 1061 N THR C 71 21.956 21.377 16.542 1.00 0.00 N ATOM 1062 CA THR C 71 23.182 20.745 17.020 1.00 0.00 C ATOM 1063 C THR C 71 23.415 19.413 16.311 1.00 0.00 C ATOM 1064 O THR C 71 22.501 18.857 15.699 1.00 0.00 O ATOM 1065 CB THR C 71 23.098 20.511 18.529 1.00 0.00 C ATOM 1066 OG1 THR C 71 22.039 19.606 18.807 1.00 0.00 O ATOM 1067 CG2 THR C 71 22.836 21.840 19.238 1.00 0.00 C ATOM 0 H THR C 71 21.149 20.755 16.497 1.00 0.00 H new ATOM 0 HA THR C 71 24.016 21.411 16.801 1.00 0.00 H new ATOM 0 HB THR C 71 24.038 20.091 18.886 1.00 0.00 H new ATOM 0 HG1 THR C 71 21.984 19.453 19.774 1.00 0.00 H new ATOM 0 HG21 THR C 71 22.776 21.673 20.313 1.00 0.00 H new ATOM 0 HG22 THR C 71 23.649 22.533 19.023 1.00 0.00 H new ATOM 0 HG23 THR C 71 21.896 22.262 18.884 1.00 0.00 H new ATOM 1075 N VAL C 72 24.642 18.908 16.407 1.00 0.00 N ATOM 1076 CA VAL C 72 24.999 17.637 15.781 1.00 0.00 C ATOM 1077 C VAL C 72 25.403 16.613 16.842 1.00 0.00 C ATOM 1078 O VAL C 72 26.281 16.867 17.672 1.00 0.00 O ATOM 1079 CB VAL C 72 26.151 17.847 14.794 1.00 0.00 C ATOM 1080 CG1 VAL C 72 26.593 16.507 14.212 1.00 0.00 C ATOM 1081 CG2 VAL C 72 25.694 18.761 13.657 1.00 0.00 C ATOM 0 H VAL C 72 25.405 19.358 16.912 1.00 0.00 H new ATOM 0 HA VAL C 72 24.130 17.258 15.243 1.00 0.00 H new ATOM 0 HB VAL C 72 26.987 18.305 15.322 1.00 0.00 H new ATOM 0 HG11 VAL C 72 27.413 16.667 13.511 1.00 0.00 H new ATOM 0 HG12 VAL C 72 26.927 15.853 15.017 1.00 0.00 H new ATOM 0 HG13 VAL C 72 25.756 16.043 13.691 1.00 0.00 H new ATOM 0 HG21 VAL C 72 26.516 18.909 12.956 1.00 0.00 H new ATOM 0 HG22 VAL C 72 24.852 18.303 13.138 1.00 0.00 H new ATOM 0 HG23 VAL C 72 25.388 19.724 14.065 1.00 0.00 H new ATOM 1091 N ASP C 73 24.747 15.453 16.803 1.00 0.00 N ATOM 1092 CA ASP C 73 25.023 14.381 17.755 1.00 0.00 C ATOM 1093 C ASP C 73 26.034 13.396 17.180 1.00 0.00 C ATOM 1094 O ASP C 73 26.465 13.531 16.036 1.00 0.00 O ATOM 1095 CB ASP C 73 23.729 13.640 18.098 1.00 0.00 C ATOM 1096 CG ASP C 73 22.725 14.603 18.721 1.00 0.00 C ATOM 1097 OD1 ASP C 73 23.142 15.434 19.511 1.00 0.00 O ATOM 1098 OD2 ASP C 73 21.553 14.495 18.399 1.00 0.00 O1- ATOM 0 H ASP C 73 24.021 15.233 16.121 1.00 0.00 H new ATOM 0 HA ASP C 73 25.440 14.826 18.659 1.00 0.00 H new ATOM 0 HB2 ASP C 73 23.307 13.194 17.198 1.00 0.00 H new ATOM 0 HB3 ASP C 73 23.940 12.824 18.789 1.00 0.00 H new ATOM 1103 N PHE C 74 26.410 12.404 17.980 1.00 0.00 N ATOM 1104 CA PHE C 74 27.375 11.405 17.541 1.00 0.00 C ATOM 1105 C PHE C 74 26.886 10.676 16.292 1.00 0.00 C ATOM 1106 O PHE C 74 27.623 10.548 15.314 1.00 0.00 O ATOM 1107 CB PHE C 74 27.613 10.396 18.663 1.00 0.00 C ATOM 1108 CG PHE C 74 28.437 9.250 18.134 1.00 0.00 C ATOM 1109 CD1 PHE C 74 29.778 9.453 17.799 1.00 0.00 C ATOM 1110 CD2 PHE C 74 27.859 7.983 17.980 1.00 0.00 C ATOM 1111 CE1 PHE C 74 30.545 8.391 17.309 1.00 0.00 C ATOM 1112 CE2 PHE C 74 28.626 6.921 17.491 1.00 0.00 C ATOM 1113 CZ PHE C 74 29.970 7.124 17.154 1.00 0.00 C ATOM 0 H PHE C 74 26.063 12.271 18.930 1.00 0.00 H new ATOM 0 HA PHE C 74 28.307 11.915 17.296 1.00 0.00 H new ATOM 0 HB2 PHE C 74 28.128 10.875 19.496 1.00 0.00 H new ATOM 0 HB3 PHE C 74 26.661 10.028 19.046 1.00 0.00 H new ATOM 0 HD1 PHE C 74 30.222 10.430 17.918 1.00 0.00 H new ATOM 0 HD2 PHE C 74 26.822 7.827 18.239 1.00 0.00 H new ATOM 0 HE1 PHE C 74 31.582 8.548 17.050 1.00 0.00 H new ATOM 0 HE2 PHE C 74 28.182 5.944 17.373 1.00 0.00 H new ATOM 0 HZ PHE C 74 30.562 6.304 16.775 1.00 0.00 H new ATOM 1123 N ASP C 75 25.647 10.202 16.327 1.00 0.00 N ATOM 1124 CA ASP C 75 25.084 9.490 15.185 1.00 0.00 C ATOM 1125 C ASP C 75 25.028 10.410 13.967 1.00 0.00 C ATOM 1126 O ASP C 75 25.398 10.017 12.861 1.00 0.00 O ATOM 1127 CB ASP C 75 23.673 9.011 15.529 1.00 0.00 C ATOM 1128 CG ASP C 75 23.736 7.874 16.544 1.00 0.00 C ATOM 1129 OD1 ASP C 75 24.811 7.330 16.731 1.00 0.00 O ATOM 1130 OD2 ASP C 75 22.705 7.567 17.122 1.00 0.00 O1- ATOM 0 H ASP C 75 25.018 10.296 17.124 1.00 0.00 H new ATOM 0 HA ASP C 75 25.716 8.633 14.953 1.00 0.00 H new ATOM 0 HB2 ASP C 75 23.089 9.838 15.934 1.00 0.00 H new ATOM 0 HB3 ASP C 75 23.165 8.674 14.625 1.00 0.00 H new ATOM 1135 N GLU C 76 24.586 11.647 14.182 1.00 0.00 N ATOM 1136 CA GLU C 76 24.514 12.615 13.095 1.00 0.00 C ATOM 1137 C GLU C 76 25.915 12.939 12.587 1.00 0.00 C ATOM 1138 O GLU C 76 26.146 13.044 11.382 1.00 0.00 O ATOM 1139 CB GLU C 76 23.810 13.888 13.567 1.00 0.00 C ATOM 1140 CG GLU C 76 22.314 13.620 13.735 1.00 0.00 C ATOM 1141 CD GLU C 76 21.649 14.819 14.402 1.00 0.00 C ATOM 1142 OE1 GLU C 76 22.366 15.638 14.949 1.00 0.00 O ATOM 1143 OE2 GLU C 76 20.432 14.903 14.351 1.00 0.00 O1- ATOM 0 H GLU C 76 24.276 11.998 15.088 1.00 0.00 H new ATOM 0 HA GLU C 76 23.938 12.183 12.277 1.00 0.00 H new ATOM 0 HB2 GLU C 76 24.237 14.222 14.512 1.00 0.00 H new ATOM 0 HB3 GLU C 76 23.966 14.690 12.846 1.00 0.00 H new ATOM 0 HG2 GLU C 76 21.857 13.432 12.763 1.00 0.00 H new ATOM 0 HG3 GLU C 76 22.160 12.725 14.338 1.00 0.00 H new ATOM 1150 N PHE C 77 26.853 13.064 13.518 1.00 0.00 N ATOM 1151 CA PHE C 77 28.237 13.341 13.165 1.00 0.00 C ATOM 1152 C PHE C 77 28.785 12.241 12.276 1.00 0.00 C ATOM 1153 O PHE C 77 29.413 12.508 11.254 1.00 0.00 O ATOM 1154 CB PHE C 77 29.090 13.450 14.432 1.00 0.00 C ATOM 1155 CG PHE C 77 30.519 13.058 14.121 1.00 0.00 C ATOM 1156 CD1 PHE C 77 31.291 13.836 13.249 1.00 0.00 C ATOM 1157 CD2 PHE C 77 31.071 11.907 14.706 1.00 0.00 C ATOM 1158 CE1 PHE C 77 32.611 13.463 12.961 1.00 0.00 C ATOM 1159 CE2 PHE C 77 32.391 11.536 14.419 1.00 0.00 C ATOM 1160 CZ PHE C 77 33.160 12.315 13.545 1.00 0.00 C ATOM 0 H PHE C 77 26.680 12.978 14.520 1.00 0.00 H new ATOM 0 HA PHE C 77 28.274 14.286 12.623 1.00 0.00 H new ATOM 0 HB2 PHE C 77 29.058 14.469 14.817 1.00 0.00 H new ATOM 0 HB3 PHE C 77 28.686 12.803 15.210 1.00 0.00 H new ATOM 0 HD1 PHE C 77 30.869 14.723 12.799 1.00 0.00 H new ATOM 0 HD2 PHE C 77 30.477 11.306 15.379 1.00 0.00 H new ATOM 0 HE1 PHE C 77 33.206 14.062 12.287 1.00 0.00 H new ATOM 0 HE2 PHE C 77 32.815 10.651 14.871 1.00 0.00 H new ATOM 0 HZ PHE C 77 34.177 12.030 13.321 1.00 0.00 H new ATOM 1170 N LEU C 78 28.554 11.001 12.668 1.00 0.00 N ATOM 1171 CA LEU C 78 29.046 9.881 11.885 1.00 0.00 C ATOM 1172 C LEU C 78 28.388 9.878 10.507 1.00 0.00 C ATOM 1173 O LEU C 78 29.033 9.582 9.502 1.00 0.00 O ATOM 1174 CB LEU C 78 28.735 8.565 12.602 1.00 0.00 C ATOM 1175 CG LEU C 78 29.570 7.429 12.002 1.00 0.00 C ATOM 1176 CD1 LEU C 78 30.946 7.373 12.682 1.00 0.00 C ATOM 1177 CD2 LEU C 78 28.842 6.104 12.221 1.00 0.00 C ATOM 0 H LEU C 78 28.038 10.746 13.510 1.00 0.00 H new ATOM 0 HA LEU C 78 30.125 9.982 11.768 1.00 0.00 H new ATOM 0 HB2 LEU C 78 28.950 8.662 13.666 1.00 0.00 H new ATOM 0 HB3 LEU C 78 27.674 8.334 12.511 1.00 0.00 H new ATOM 0 HG LEU C 78 29.707 7.606 10.935 1.00 0.00 H new ATOM 0 HD11 LEU C 78 31.533 6.563 12.249 1.00 0.00 H new ATOM 0 HD12 LEU C 78 31.466 8.319 12.530 1.00 0.00 H new ATOM 0 HD13 LEU C 78 30.817 7.198 13.750 1.00 0.00 H new ATOM 0 HD21 LEU C 78 29.431 5.291 11.796 1.00 0.00 H new ATOM 0 HD22 LEU C 78 28.707 5.935 13.289 1.00 0.00 H new ATOM 0 HD23 LEU C 78 27.868 6.139 11.734 1.00 0.00 H new ATOM 1189 N VAL C 79 27.097 10.197 10.475 1.00 0.00 N ATOM 1190 CA VAL C 79 26.348 10.217 9.222 1.00 0.00 C ATOM 1191 C VAL C 79 26.893 11.272 8.263 1.00 0.00 C ATOM 1192 O VAL C 79 27.034 11.014 7.066 1.00 0.00 O ATOM 1193 CB VAL C 79 24.871 10.513 9.500 1.00 0.00 C ATOM 1194 CG1 VAL C 79 24.119 10.704 8.177 1.00 0.00 C ATOM 1195 CG2 VAL C 79 24.251 9.352 10.283 1.00 0.00 C ATOM 0 H VAL C 79 26.549 10.444 11.299 1.00 0.00 H new ATOM 0 HA VAL C 79 26.454 9.236 8.759 1.00 0.00 H new ATOM 0 HB VAL C 79 24.795 11.427 10.089 1.00 0.00 H new ATOM 0 HG11 VAL C 79 23.069 10.914 8.382 1.00 0.00 H new ATOM 0 HG12 VAL C 79 24.555 11.538 7.628 1.00 0.00 H new ATOM 0 HG13 VAL C 79 24.197 9.796 7.580 1.00 0.00 H new ATOM 0 HG21 VAL C 79 23.200 9.566 10.479 1.00 0.00 H new ATOM 0 HG22 VAL C 79 24.332 8.435 9.699 1.00 0.00 H new ATOM 0 HG23 VAL C 79 24.779 9.228 11.229 1.00 0.00 H new ATOM 1205 N MET C 80 27.175 12.462 8.789 1.00 0.00 N ATOM 1206 CA MET C 80 27.676 13.550 7.959 1.00 0.00 C ATOM 1207 C MET C 80 29.081 13.226 7.480 1.00 0.00 C ATOM 1208 O MET C 80 29.491 13.638 6.396 1.00 0.00 O ATOM 1209 CB MET C 80 27.672 14.873 8.753 1.00 0.00 C ATOM 1210 CG MET C 80 29.071 15.192 9.302 1.00 0.00 C ATOM 1211 SD MET C 80 28.970 16.562 10.481 1.00 0.00 S ATOM 1212 CE MET C 80 30.694 17.086 10.312 1.00 0.00 C ATOM 0 H MET C 80 27.066 12.694 9.776 1.00 0.00 H new ATOM 0 HA MET C 80 27.024 13.665 7.093 1.00 0.00 H new ATOM 0 HB2 MET C 80 27.336 15.686 8.109 1.00 0.00 H new ATOM 0 HB3 MET C 80 26.961 14.804 9.577 1.00 0.00 H new ATOM 0 HG2 MET C 80 29.490 14.311 9.789 1.00 0.00 H new ATOM 0 HG3 MET C 80 29.742 15.453 8.484 1.00 0.00 H new ATOM 0 HE1 MET C 80 30.879 17.942 10.961 1.00 0.00 H new ATOM 0 HE2 MET C 80 31.353 16.266 10.596 1.00 0.00 H new ATOM 0 HE3 MET C 80 30.889 17.367 9.277 1.00 0.00 H new ATOM 1222 N MET C 81 29.811 12.485 8.304 1.00 0.00 N ATOM 1223 CA MET C 81 31.180 12.111 7.966 1.00 0.00 C ATOM 1224 C MET C 81 31.206 11.112 6.817 1.00 0.00 C ATOM 1225 O MET C 81 31.960 11.274 5.859 1.00 0.00 O ATOM 1226 CB MET C 81 31.879 11.506 9.188 1.00 0.00 C ATOM 1227 CG MET C 81 32.861 12.521 9.785 1.00 0.00 C ATOM 1228 SD MET C 81 34.290 12.699 8.681 1.00 0.00 S ATOM 1229 CE MET C 81 35.490 13.270 9.916 1.00 0.00 C ATOM 0 H MET C 81 29.483 12.133 9.203 1.00 0.00 H new ATOM 0 HA MET C 81 31.708 13.012 7.654 1.00 0.00 H new ATOM 0 HB2 MET C 81 31.139 11.220 9.936 1.00 0.00 H new ATOM 0 HB3 MET C 81 32.410 10.598 8.901 1.00 0.00 H new ATOM 0 HG2 MET C 81 32.369 13.484 9.919 1.00 0.00 H new ATOM 0 HG3 MET C 81 33.188 12.191 10.771 1.00 0.00 H new ATOM 0 HE1 MET C 81 36.453 13.441 9.435 1.00 0.00 H new ATOM 0 HE2 MET C 81 35.137 14.199 10.364 1.00 0.00 H new ATOM 0 HE3 MET C 81 35.601 12.513 10.692 1.00 0.00 H new ATOM 1239 N VAL C 82 30.378 10.083 6.916 1.00 0.00 N ATOM 1240 CA VAL C 82 30.317 9.067 5.876 1.00 0.00 C ATOM 1241 C VAL C 82 29.835 9.674 4.562 1.00 0.00 C ATOM 1242 O VAL C 82 30.402 9.411 3.501 1.00 0.00 O ATOM 1243 CB VAL C 82 29.372 7.947 6.304 1.00 0.00 C ATOM 1244 CG1 VAL C 82 29.154 6.992 5.132 1.00 0.00 C ATOM 1245 CG2 VAL C 82 29.986 7.183 7.483 1.00 0.00 C ATOM 0 H VAL C 82 29.743 9.930 7.700 1.00 0.00 H new ATOM 0 HA VAL C 82 31.317 8.661 5.726 1.00 0.00 H new ATOM 0 HB VAL C 82 28.416 8.372 6.608 1.00 0.00 H new ATOM 0 HG11 VAL C 82 28.479 6.191 5.436 1.00 0.00 H new ATOM 0 HG12 VAL C 82 28.717 7.537 4.295 1.00 0.00 H new ATOM 0 HG13 VAL C 82 30.110 6.565 4.828 1.00 0.00 H new ATOM 0 HG21 VAL C 82 29.312 6.383 7.789 1.00 0.00 H new ATOM 0 HG22 VAL C 82 30.942 6.756 7.181 1.00 0.00 H new ATOM 0 HG23 VAL C 82 30.141 7.866 8.318 1.00 0.00 H new ATOM 1255 N ARG C 83 28.787 10.492 4.640 1.00 0.00 N ATOM 1256 CA ARG C 83 28.244 11.132 3.448 1.00 0.00 C ATOM 1257 C ARG C 83 29.281 12.039 2.803 1.00 0.00 C ATOM 1258 O ARG C 83 29.455 12.027 1.586 1.00 0.00 O ATOM 1259 CB ARG C 83 27.003 11.953 3.811 1.00 0.00 C ATOM 1260 CG ARG C 83 25.752 11.081 3.691 1.00 0.00 C ATOM 1261 CD ARG C 83 24.553 11.818 4.292 1.00 0.00 C ATOM 1262 NE ARG C 83 23.341 11.488 3.549 1.00 0.00 N ATOM 1263 CZ ARG C 83 22.139 11.628 4.095 1.00 0.00 C ATOM 1264 NH1 ARG C 83 22.026 12.040 5.328 1.00 0.00 N ATOM 1265 NH2 ARG C 83 21.071 11.350 3.398 1.00 0.00 N1+ ATOM 0 H ARG C 83 28.303 10.724 5.507 1.00 0.00 H new ATOM 0 HA ARG C 83 27.969 10.352 2.738 1.00 0.00 H new ATOM 0 HB2 ARG C 83 27.094 12.337 4.827 1.00 0.00 H new ATOM 0 HB3 ARG C 83 26.921 12.816 3.150 1.00 0.00 H new ATOM 0 HG2 ARG C 83 25.560 10.846 2.644 1.00 0.00 H new ATOM 0 HG3 ARG C 83 25.906 10.134 4.208 1.00 0.00 H new ATOM 0 HD2 ARG C 83 24.434 11.542 5.340 1.00 0.00 H new ATOM 0 HD3 ARG C 83 24.725 12.894 4.264 1.00 0.00 H new ATOM 0 HE ARG C 83 23.419 11.143 2.592 1.00 0.00 H new ATOM 0 HH11 ARG C 83 22.861 12.255 5.873 1.00 0.00 H new ATOM 0 HH12 ARG C 83 21.102 12.147 5.747 1.00 0.00 H new ATOM 0 HH21 ARG C 83 21.161 11.026 2.435 1.00 0.00 H new ATOM 0 HH22 ARG C 83 20.147 11.457 3.816 1.00 0.00 H new ATOM 1279 N CYS C 84 29.970 12.821 3.620 1.00 0.00 N ATOM 1280 CA CYS C 84 30.988 13.724 3.106 1.00 0.00 C ATOM 1281 C CYS C 84 32.148 12.939 2.501 1.00 0.00 C ATOM 1282 O CYS C 84 32.698 13.326 1.470 1.00 0.00 O ATOM 1283 CB CYS C 84 31.503 14.624 4.228 1.00 0.00 C ATOM 1284 SG CYS C 84 30.205 15.790 4.705 1.00 0.00 S ATOM 0 H CYS C 84 29.845 12.849 4.632 1.00 0.00 H new ATOM 0 HA CYS C 84 30.540 14.340 2.326 1.00 0.00 H new ATOM 0 HB2 CYS C 84 31.799 14.021 5.086 1.00 0.00 H new ATOM 0 HB3 CYS C 84 32.390 15.165 3.898 1.00 0.00 H new ATOM 0 HG CYS C 84 29.444 15.247 5.609 1.00 0.00 H new ATOM 1290 N MET C 85 32.528 11.847 3.156 1.00 0.00 N ATOM 1291 CA MET C 85 33.639 11.031 2.679 1.00 0.00 C ATOM 1292 C MET C 85 33.323 10.438 1.308 1.00 0.00 C ATOM 1293 O MET C 85 34.168 10.441 0.412 1.00 0.00 O ATOM 1294 CB MET C 85 33.913 9.896 3.676 1.00 0.00 C ATOM 1295 CG MET C 85 35.276 9.249 3.393 1.00 0.00 C ATOM 1296 SD MET C 85 35.179 8.217 1.909 1.00 0.00 S ATOM 1297 CE MET C 85 36.868 7.571 1.983 1.00 0.00 C ATOM 0 H MET C 85 32.088 11.508 4.011 1.00 0.00 H new ATOM 0 HA MET C 85 34.521 11.665 2.591 1.00 0.00 H new ATOM 0 HB2 MET C 85 33.893 10.285 4.694 1.00 0.00 H new ATOM 0 HB3 MET C 85 33.126 9.145 3.607 1.00 0.00 H new ATOM 0 HG2 MET C 85 36.033 10.022 3.259 1.00 0.00 H new ATOM 0 HG3 MET C 85 35.585 8.645 4.246 1.00 0.00 H new ATOM 0 HE1 MET C 85 37.036 6.895 1.144 1.00 0.00 H new ATOM 0 HE2 MET C 85 37.576 8.398 1.931 1.00 0.00 H new ATOM 0 HE3 MET C 85 37.010 7.030 2.919 1.00 0.00 H new ATOM 1307 N LYS C 86 32.104 9.929 1.151 1.00 0.00 N ATOM 1308 CA LYS C 86 31.698 9.335 -0.117 1.00 0.00 C ATOM 1309 C LYS C 86 31.172 10.403 -1.067 1.00 0.00 C ATOM 1310 O LYS C 86 31.607 10.496 -2.215 1.00 0.00 O ATOM 1311 CB LYS C 86 30.605 8.291 0.131 1.00 0.00 C ATOM 1312 CG LYS C 86 31.090 7.207 1.109 1.00 0.00 C ATOM 1313 CD LYS C 86 32.205 6.370 0.474 1.00 0.00 C ATOM 1314 CE LYS C 86 32.457 5.123 1.323 1.00 0.00 C ATOM 1315 NZ LYS C 86 33.559 4.335 0.706 1.00 0.00 N1+ ATOM 0 H LYS C 86 31.388 9.916 1.877 1.00 0.00 H new ATOM 0 HA LYS C 86 32.567 8.859 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS C 86 29.717 8.778 0.533 1.00 0.00 H new ATOM 0 HB3 LYS C 86 30.316 7.831 -0.814 1.00 0.00 H new ATOM 0 HG2 LYS C 86 31.454 7.672 2.025 1.00 0.00 H new ATOM 0 HG3 LYS C 86 30.257 6.562 1.388 1.00 0.00 H new ATOM 0 HD2 LYS C 86 31.925 6.082 -0.539 1.00 0.00 H new ATOM 0 HD3 LYS C 86 33.118 6.960 0.397 1.00 0.00 H new ATOM 0 HE2 LYS C 86 32.721 5.407 2.342 1.00 0.00 H new ATOM 0 HE3 LYS C 86 31.551 4.520 1.385 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 33.739 3.484 1.276 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 33.288 4.055 -0.258 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 34.422 4.915 0.668 1.00 0.00 H new ATOM 1508 N ALA I 152 38.824 19.623 3.806 1.00 0.00 N ATOM 1509 CA ALA I 152 39.707 20.581 4.453 1.00 0.00 C ATOM 1510 C ALA I 152 39.887 20.231 5.928 1.00 0.00 C ATOM 1511 O ALA I 152 41.000 20.260 6.453 1.00 0.00 O ATOM 1512 CB ALA I 152 39.129 21.990 4.324 1.00 0.00 C ATOM 0 HA ALA I 152 40.680 20.543 3.963 1.00 0.00 H new ATOM 0 HB1 ALA I 152 39.795 22.702 4.811 1.00 0.00 H new ATOM 0 HB2 ALA I 152 39.030 22.248 3.269 1.00 0.00 H new ATOM 0 HB3 ALA I 152 38.149 22.026 4.800 1.00 0.00 H new ATOM 1518 N MET I 153 38.783 19.897 6.590 1.00 0.00 N ATOM 1519 CA MET I 153 38.827 19.536 8.002 1.00 0.00 C ATOM 1520 C MET I 153 39.513 18.186 8.189 1.00 0.00 C ATOM 1521 O MET I 153 40.298 17.989 9.123 1.00 0.00 O ATOM 1522 CB MET I 153 37.409 19.492 8.571 1.00 0.00 C ATOM 1523 CG MET I 153 37.472 19.315 10.087 1.00 0.00 C ATOM 1524 SD MET I 153 35.792 19.343 10.763 1.00 0.00 S ATOM 1525 CE MET I 153 35.420 21.085 10.426 1.00 0.00 C ATOM 0 H MET I 153 37.852 19.869 6.174 1.00 0.00 H new ATOM 0 HA MET I 153 39.403 20.290 8.538 1.00 0.00 H new ATOM 0 HB2 MET I 153 36.878 20.411 8.324 1.00 0.00 H new ATOM 0 HB3 MET I 153 36.851 18.671 8.121 1.00 0.00 H new ATOM 0 HG2 MET I 153 37.960 18.373 10.335 1.00 0.00 H new ATOM 0 HG3 MET I 153 38.069 20.110 10.533 1.00 0.00 H new ATOM 0 HE1 MET I 153 34.684 21.446 11.145 1.00 0.00 H new ATOM 0 HE2 MET I 153 36.332 21.675 10.513 1.00 0.00 H new ATOM 0 HE3 MET I 153 35.020 21.183 9.417 1.00 0.00 H new ATOM 1535 N MET I 154 39.207 17.256 7.288 1.00 0.00 N ATOM 1536 CA MET I 154 39.796 15.927 7.351 1.00 0.00 C ATOM 1537 C MET I 154 41.306 16.016 7.228 1.00 0.00 C ATOM 1538 O MET I 154 42.029 15.115 7.650 1.00 0.00 O ATOM 1539 CB MET I 154 39.250 15.035 6.234 1.00 0.00 C ATOM 1540 CG MET I 154 38.268 14.024 6.822 1.00 0.00 C ATOM 1541 SD MET I 154 37.541 13.039 5.488 1.00 0.00 S ATOM 1542 CE MET I 154 37.066 11.608 6.490 1.00 0.00 C ATOM 0 H MET I 154 38.560 17.399 6.513 1.00 0.00 H new ATOM 0 HA MET I 154 39.533 15.489 8.314 1.00 0.00 H new ATOM 0 HB2 MET I 154 38.753 15.644 5.479 1.00 0.00 H new ATOM 0 HB3 MET I 154 40.069 14.515 5.736 1.00 0.00 H new ATOM 0 HG2 MET I 154 38.781 13.373 7.531 1.00 0.00 H new ATOM 0 HG3 MET I 154 37.484 14.542 7.374 1.00 0.00 H new ATOM 0 HE1 MET I 154 36.143 11.181 6.099 1.00 0.00 H new ATOM 0 HE2 MET I 154 37.857 10.859 6.453 1.00 0.00 H new ATOM 0 HE3 MET I 154 36.912 11.922 7.522 1.00 0.00 H new ATOM 1552 N GLN I 155 41.781 17.099 6.627 1.00 0.00 N ATOM 1553 CA GLN I 155 43.212 17.271 6.445 1.00 0.00 C ATOM 1554 C GLN I 155 43.909 17.324 7.800 1.00 0.00 C ATOM 1555 O GLN I 155 44.967 16.726 7.992 1.00 0.00 O ATOM 1556 CB GLN I 155 43.484 18.565 5.677 1.00 0.00 C ATOM 1557 CG GLN I 155 44.955 18.628 5.249 1.00 0.00 C ATOM 1558 CD GLN I 155 45.246 17.543 4.216 1.00 0.00 C ATOM 1559 OE1 GLN I 155 44.490 17.381 3.258 1.00 0.00 O ATOM 1560 NE2 GLN I 155 46.315 16.802 4.336 1.00 0.00 N ATOM 0 H GLN I 155 41.206 17.859 6.263 1.00 0.00 H new ATOM 0 HA GLN I 155 43.600 16.425 5.877 1.00 0.00 H new ATOM 0 HB2 GLN I 155 42.840 18.618 4.799 1.00 0.00 H new ATOM 0 HB3 GLN I 155 43.242 19.425 6.302 1.00 0.00 H new ATOM 0 HG2 GLN I 155 45.179 19.609 4.830 1.00 0.00 H new ATOM 0 HG3 GLN I 155 45.601 18.497 6.117 1.00 0.00 H new ATOM 0 HE21 GLN I 155 46.942 16.936 5.129 1.00 0.00 H new ATOM 0 HE22 GLN I 155 46.523 16.090 3.636 1.00 0.00 H new ATOM 1569 N ALA I 156 43.300 18.038 8.743 1.00 0.00 N ATOM 1570 CA ALA I 156 43.864 18.156 10.083 1.00 0.00 C ATOM 1571 C ALA I 156 43.781 16.832 10.833 1.00 0.00 C ATOM 1572 O ALA I 156 44.709 16.453 11.547 1.00 0.00 O ATOM 1573 CB ALA I 156 43.113 19.223 10.876 1.00 0.00 C ATOM 0 H ALA I 156 42.423 18.540 8.605 1.00 0.00 H new ATOM 0 HA ALA I 156 44.912 18.438 9.979 1.00 0.00 H new ATOM 0 HB1 ALA I 156 43.542 19.303 11.875 1.00 0.00 H new ATOM 0 HB2 ALA I 156 43.199 20.183 10.366 1.00 0.00 H new ATOM 0 HB3 ALA I 156 42.062 18.946 10.954 1.00 0.00 H new