USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=14 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 81 MET CE :methyl 143:sc= -1.89 (180deg=-7.77!) USER MOD Set 1.2: C 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: C 69 SER OG : rot -70:sc= 1.88 USER MOD Set 2.2: C 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: C 45 MET CE :methyl 180:sc= -0.217 (180deg=-0.217) USER MOD Set 3.2: C 50 GLN : amide:sc= 0 K(o=-0.22,f=-0.76) USER MOD Set 4.1: C 13 THR OG1 : rot -127:sc= -0.777! USER MOD Set 4.2: C 16 GLN : amide:sc= -1.37! C(o=-2.1!,f=-3!) USER MOD Single : C 11 GLN : amide:sc= -2.6! C(o=-2.6!,f=-3.9!) USER MOD Single : C 17 LYS NZ :NH3+ 132:sc= -3.13 (180deg=-6.26!) USER MOD Single : C 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot -29:sc= 1.09 USER MOD Single : C 37 SER OG : rot 180:sc= 0.241 USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 39 LYS NZ :NH3+ 131:sc= -0.0548 (180deg=-0.57) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 51 ASN : amide:sc= -2.62! C(o=-2.6!,f=-10!) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.431 USER MOD Single : C 58 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.31) USER MOD Single : C 60 MET CE :methyl -118:sc=-0.00612 (180deg=-0.293) USER MOD Single : C 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot 83:sc= 0.208 USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 153 MET CE :methyl 162:sc= -0.0576 (180deg=-0.562) USER MOD Single : I 154 MET CE :methyl 137:sc= -0.231 (180deg=-1.31!) USER MOD Single : I 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 106 N ALA C 7 22.621 0.868 7.154 1.00 0.00 N ATOM 107 CA ALA C 7 23.377 -0.299 6.723 1.00 0.00 C ATOM 108 C ALA C 7 24.844 0.050 6.568 1.00 0.00 C ATOM 109 O ALA C 7 25.719 -0.753 6.886 1.00 0.00 O ATOM 110 CB ALA C 7 22.831 -0.828 5.394 1.00 0.00 C ATOM 0 HA ALA C 7 23.273 -1.073 7.483 1.00 0.00 H new ATOM 0 HB1 ALA C 7 23.407 -1.700 5.085 1.00 0.00 H new ATOM 0 HB2 ALA C 7 21.785 -1.109 5.516 1.00 0.00 H new ATOM 0 HB3 ALA C 7 22.912 -0.052 4.633 1.00 0.00 H new ATOM 116 N ALA C 8 25.115 1.249 6.072 1.00 0.00 N ATOM 117 CA ALA C 8 26.493 1.665 5.880 1.00 0.00 C ATOM 118 C ALA C 8 27.223 1.713 7.215 1.00 0.00 C ATOM 119 O ALA C 8 28.366 1.272 7.326 1.00 0.00 O ATOM 120 CB ALA C 8 26.539 3.035 5.210 1.00 0.00 C ATOM 0 H ALA C 8 24.413 1.937 5.800 1.00 0.00 H new ATOM 0 HA ALA C 8 26.989 0.939 5.236 1.00 0.00 H new ATOM 0 HB1 ALA C 8 27.577 3.337 5.071 1.00 0.00 H new ATOM 0 HB2 ALA C 8 26.043 2.983 4.241 1.00 0.00 H new ATOM 0 HB3 ALA C 8 26.030 3.765 5.839 1.00 0.00 H new ATOM 126 N VAL C 9 26.550 2.244 8.226 1.00 0.00 N ATOM 127 CA VAL C 9 27.136 2.344 9.552 1.00 0.00 C ATOM 128 C VAL C 9 27.462 0.963 10.116 1.00 0.00 C ATOM 129 O VAL C 9 28.562 0.731 10.618 1.00 0.00 O ATOM 130 CB VAL C 9 26.155 3.053 10.472 1.00 0.00 C ATOM 131 CG1 VAL C 9 26.649 2.956 11.916 1.00 0.00 C ATOM 132 CG2 VAL C 9 26.051 4.523 10.066 1.00 0.00 C ATOM 0 H VAL C 9 25.601 2.611 8.152 1.00 0.00 H new ATOM 0 HA VAL C 9 28.066 2.908 9.483 1.00 0.00 H new ATOM 0 HB VAL C 9 25.175 2.583 10.392 1.00 0.00 H new ATOM 0 HG11 VAL C 9 25.946 3.464 12.576 1.00 0.00 H new ATOM 0 HG12 VAL C 9 26.725 1.908 12.205 1.00 0.00 H new ATOM 0 HG13 VAL C 9 27.629 3.427 11.998 1.00 0.00 H new ATOM 0 HG21 VAL C 9 25.348 5.033 10.724 1.00 0.00 H new ATOM 0 HG22 VAL C 9 27.031 4.993 10.147 1.00 0.00 H new ATOM 0 HG23 VAL C 9 25.700 4.592 9.037 1.00 0.00 H new ATOM 142 N GLU C 10 26.502 0.050 10.025 1.00 0.00 N ATOM 143 CA GLU C 10 26.698 -1.306 10.523 1.00 0.00 C ATOM 144 C GLU C 10 27.689 -2.062 9.645 1.00 0.00 C ATOM 145 O GLU C 10 28.451 -2.902 10.126 1.00 0.00 O ATOM 146 CB GLU C 10 25.363 -2.055 10.569 1.00 0.00 C ATOM 147 CG GLU C 10 24.442 -1.391 11.596 1.00 0.00 C ATOM 148 CD GLU C 10 24.977 -1.626 13.005 1.00 0.00 C ATOM 149 OE1 GLU C 10 25.852 -2.464 13.155 1.00 0.00 O ATOM 150 OE2 GLU C 10 24.502 -0.967 13.915 1.00 0.00 O1- ATOM 0 H GLU C 10 25.585 0.223 9.613 1.00 0.00 H new ATOM 0 HA GLU C 10 27.103 -1.244 11.533 1.00 0.00 H new ATOM 0 HB2 GLU C 10 24.895 -2.046 9.585 1.00 0.00 H new ATOM 0 HB3 GLU C 10 25.528 -3.099 10.834 1.00 0.00 H new ATOM 0 HG2 GLU C 10 24.374 -0.321 11.398 1.00 0.00 H new ATOM 0 HG3 GLU C 10 23.434 -1.796 11.509 1.00 0.00 H new ATOM 157 N GLN C 11 27.668 -1.761 8.350 1.00 0.00 N ATOM 158 CA GLN C 11 28.560 -2.421 7.405 1.00 0.00 C ATOM 159 C GLN C 11 30.019 -2.131 7.731 1.00 0.00 C ATOM 160 O GLN C 11 30.878 -3.007 7.620 1.00 0.00 O ATOM 161 CB GLN C 11 28.248 -1.957 5.981 1.00 0.00 C ATOM 162 CG GLN C 11 29.200 -2.647 5.002 1.00 0.00 C ATOM 163 CD GLN C 11 30.508 -1.865 4.912 1.00 0.00 C ATOM 164 OE1 GLN C 11 30.505 -0.636 4.984 1.00 0.00 O ATOM 165 NE2 GLN C 11 31.635 -2.507 4.771 1.00 0.00 N ATOM 0 H GLN C 11 27.046 -1.068 7.933 1.00 0.00 H new ATOM 0 HA GLN C 11 28.399 -3.496 7.483 1.00 0.00 H new ATOM 0 HB2 GLN C 11 27.214 -2.193 5.728 1.00 0.00 H new ATOM 0 HB3 GLN C 11 28.355 -0.875 5.908 1.00 0.00 H new ATOM 0 HG2 GLN C 11 29.398 -3.667 5.331 1.00 0.00 H new ATOM 0 HG3 GLN C 11 28.737 -2.714 4.017 1.00 0.00 H new ATOM 0 HE21 GLN C 11 31.638 -3.525 4.711 1.00 0.00 H new ATOM 0 HE22 GLN C 11 32.513 -1.991 4.720 1.00 0.00 H new ATOM 174 N LEU C 12 30.299 -0.898 8.129 1.00 0.00 N ATOM 175 CA LEU C 12 31.659 -0.506 8.463 1.00 0.00 C ATOM 176 C LEU C 12 32.211 -1.374 9.587 1.00 0.00 C ATOM 177 O LEU C 12 31.475 -1.799 10.479 1.00 0.00 O ATOM 178 CB LEU C 12 31.666 0.960 8.890 1.00 0.00 C ATOM 179 CG LEU C 12 31.452 1.855 7.663 1.00 0.00 C ATOM 180 CD1 LEU C 12 31.012 3.236 8.131 1.00 0.00 C ATOM 181 CD2 LEU C 12 32.758 1.999 6.869 1.00 0.00 C ATOM 0 H LEU C 12 29.606 -0.156 8.228 1.00 0.00 H new ATOM 0 HA LEU C 12 32.292 -0.641 7.586 1.00 0.00 H new ATOM 0 HB2 LEU C 12 30.881 1.139 9.624 1.00 0.00 H new ATOM 0 HB3 LEU C 12 32.613 1.205 9.370 1.00 0.00 H new ATOM 0 HG LEU C 12 30.693 1.404 7.024 1.00 0.00 H new ATOM 0 HD11 LEU C 12 30.857 3.881 7.266 1.00 0.00 H new ATOM 0 HD12 LEU C 12 30.081 3.151 8.692 1.00 0.00 H new ATOM 0 HD13 LEU C 12 31.783 3.666 8.771 1.00 0.00 H new ATOM 0 HD21 LEU C 12 32.588 2.637 6.002 1.00 0.00 H new ATOM 0 HD22 LEU C 12 33.523 2.446 7.504 1.00 0.00 H new ATOM 0 HD23 LEU C 12 33.092 1.016 6.536 1.00 0.00 H new ATOM 193 N THR C 13 33.510 -1.638 9.527 1.00 0.00 N ATOM 194 CA THR C 13 34.160 -2.462 10.530 1.00 0.00 C ATOM 195 C THR C 13 34.249 -1.726 11.850 1.00 0.00 C ATOM 196 O THR C 13 34.015 -0.519 11.923 1.00 0.00 O ATOM 197 CB THR C 13 35.569 -2.842 10.075 1.00 0.00 C ATOM 198 OG1 THR C 13 36.368 -1.673 9.981 1.00 0.00 O ATOM 199 CG2 THR C 13 35.493 -3.521 8.712 1.00 0.00 C ATOM 0 H THR C 13 34.131 -1.293 8.795 1.00 0.00 H new ATOM 0 HA THR C 13 33.563 -3.364 10.661 1.00 0.00 H new ATOM 0 HB THR C 13 36.015 -3.526 10.798 1.00 0.00 H new ATOM 0 HG1 THR C 13 36.775 -1.626 9.091 1.00 0.00 H new ATOM 0 HG21 THR C 13 36.496 -3.793 8.385 1.00 0.00 H new ATOM 0 HG22 THR C 13 34.879 -4.419 8.786 1.00 0.00 H new ATOM 0 HG23 THR C 13 35.049 -2.837 7.989 1.00 0.00 H new ATOM 207 N GLU C 14 34.583 -2.465 12.892 1.00 0.00 N ATOM 208 CA GLU C 14 34.697 -1.878 14.212 1.00 0.00 C ATOM 209 C GLU C 14 35.796 -0.829 14.226 1.00 0.00 C ATOM 210 O GLU C 14 35.665 0.215 14.860 1.00 0.00 O ATOM 211 CB GLU C 14 34.996 -2.964 15.249 1.00 0.00 C ATOM 212 CG GLU C 14 33.779 -3.886 15.403 1.00 0.00 C ATOM 213 CD GLU C 14 32.598 -3.117 15.990 1.00 0.00 C ATOM 214 OE1 GLU C 14 32.835 -2.188 16.745 1.00 0.00 O ATOM 215 OE2 GLU C 14 31.472 -3.468 15.674 1.00 0.00 O1- ATOM 0 H GLU C 14 34.779 -3.465 12.850 1.00 0.00 H new ATOM 0 HA GLU C 14 33.750 -1.400 14.465 1.00 0.00 H new ATOM 0 HB2 GLU C 14 35.866 -3.544 14.941 1.00 0.00 H new ATOM 0 HB3 GLU C 14 35.241 -2.507 16.208 1.00 0.00 H new ATOM 0 HG2 GLU C 14 33.505 -4.301 14.433 1.00 0.00 H new ATOM 0 HG3 GLU C 14 34.031 -4.726 16.050 1.00 0.00 H new ATOM 222 N GLU C 15 36.873 -1.111 13.519 1.00 0.00 N ATOM 223 CA GLU C 15 37.991 -0.184 13.455 1.00 0.00 C ATOM 224 C GLU C 15 37.562 1.137 12.827 1.00 0.00 C ATOM 225 O GLU C 15 37.880 2.208 13.341 1.00 0.00 O ATOM 226 CB GLU C 15 39.126 -0.803 12.642 1.00 0.00 C ATOM 227 CG GLU C 15 40.312 0.158 12.616 1.00 0.00 C ATOM 228 CD GLU C 15 41.494 -0.483 11.901 1.00 0.00 C ATOM 229 OE1 GLU C 15 41.363 -1.620 11.481 1.00 0.00 O ATOM 230 OE2 GLU C 15 42.517 0.173 11.783 1.00 0.00 O1- ATOM 0 H GLU C 15 37.000 -1.969 12.983 1.00 0.00 H new ATOM 0 HA GLU C 15 38.337 0.015 14.469 1.00 0.00 H new ATOM 0 HB2 GLU C 15 39.425 -1.755 13.080 1.00 0.00 H new ATOM 0 HB3 GLU C 15 38.790 -1.011 11.626 1.00 0.00 H new ATOM 0 HG2 GLU C 15 40.030 1.082 12.111 1.00 0.00 H new ATOM 0 HG3 GLU C 15 40.595 0.425 13.634 1.00 0.00 H new ATOM 237 N GLN C 16 36.832 1.060 11.723 1.00 0.00 N ATOM 238 CA GLN C 16 36.365 2.269 11.059 1.00 0.00 C ATOM 239 C GLN C 16 35.469 3.069 11.995 1.00 0.00 C ATOM 240 O GLN C 16 35.588 4.292 12.094 1.00 0.00 O ATOM 241 CB GLN C 16 35.610 1.897 9.786 1.00 0.00 C ATOM 242 CG GLN C 16 36.561 1.961 8.587 1.00 0.00 C ATOM 243 CD GLN C 16 37.842 1.183 8.878 1.00 0.00 C ATOM 244 OE1 GLN C 16 37.798 -0.017 9.141 1.00 0.00 O ATOM 245 NE2 GLN C 16 38.989 1.804 8.843 1.00 0.00 N ATOM 0 H GLN C 16 36.554 0.188 11.274 1.00 0.00 H new ATOM 0 HA GLN C 16 37.223 2.886 10.793 1.00 0.00 H new ATOM 0 HB2 GLN C 16 35.192 0.894 9.879 1.00 0.00 H new ATOM 0 HB3 GLN C 16 34.773 2.578 9.636 1.00 0.00 H new ATOM 0 HG2 GLN C 16 36.071 1.549 7.705 1.00 0.00 H new ATOM 0 HG3 GLN C 16 36.803 3.000 8.362 1.00 0.00 H new ATOM 0 HE21 GLN C 16 39.023 2.800 8.625 1.00 0.00 H new ATOM 0 HE22 GLN C 16 39.851 1.294 9.034 1.00 0.00 H new ATOM 254 N LYS C 17 34.580 2.369 12.689 1.00 0.00 N ATOM 255 CA LYS C 17 33.676 3.016 13.629 1.00 0.00 C ATOM 256 C LYS C 17 34.454 3.634 14.777 1.00 0.00 C ATOM 257 O LYS C 17 34.140 4.733 15.234 1.00 0.00 O ATOM 258 CB LYS C 17 32.675 1.993 14.165 1.00 0.00 C ATOM 259 CG LYS C 17 31.705 1.600 13.048 1.00 0.00 C ATOM 260 CD LYS C 17 30.505 2.551 13.039 1.00 0.00 C ATOM 261 CE LYS C 17 29.435 2.037 14.007 1.00 0.00 C ATOM 262 NZ LYS C 17 28.429 3.107 14.255 1.00 0.00 N1+ ATOM 0 H LYS C 17 34.467 1.358 12.619 1.00 0.00 H new ATOM 0 HA LYS C 17 33.138 3.810 13.111 1.00 0.00 H new ATOM 0 HB2 LYS C 17 33.200 1.112 14.533 1.00 0.00 H new ATOM 0 HB3 LYS C 17 32.126 2.412 15.008 1.00 0.00 H new ATOM 0 HG2 LYS C 17 32.214 1.634 12.085 1.00 0.00 H new ATOM 0 HG3 LYS C 17 31.366 0.574 13.194 1.00 0.00 H new ATOM 0 HD2 LYS C 17 30.820 3.553 13.328 1.00 0.00 H new ATOM 0 HD3 LYS C 17 30.094 2.624 12.032 1.00 0.00 H new ATOM 0 HE2 LYS C 17 28.948 1.155 13.591 1.00 0.00 H new ATOM 0 HE3 LYS C 17 29.896 1.733 14.947 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 27.472 2.714 14.151 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 28.548 3.478 15.219 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 28.564 3.877 13.569 1.00 0.00 H new ATOM 276 N ASN C 18 35.467 2.926 15.243 1.00 0.00 N ATOM 277 CA ASN C 18 36.265 3.425 16.340 1.00 0.00 C ATOM 278 C ASN C 18 37.004 4.707 15.960 1.00 0.00 C ATOM 279 O ASN C 18 37.108 5.634 16.763 1.00 0.00 O ATOM 280 CB ASN C 18 37.262 2.358 16.790 1.00 0.00 C ATOM 281 CG ASN C 18 38.081 2.871 17.966 1.00 0.00 C ATOM 282 OD1 ASN C 18 37.527 3.214 19.010 1.00 0.00 O ATOM 283 ND2 ASN C 18 39.378 2.945 17.855 1.00 0.00 N ATOM 0 H ASN C 18 35.752 2.015 14.882 1.00 0.00 H new ATOM 0 HA ASN C 18 35.591 3.661 17.163 1.00 0.00 H new ATOM 0 HB2 ASN C 18 36.731 1.450 17.075 1.00 0.00 H new ATOM 0 HB3 ASN C 18 37.923 2.095 15.964 1.00 0.00 H new ATOM 0 HD21 ASN C 18 39.938 3.288 18.635 1.00 0.00 H new ATOM 0 HD22 ASN C 18 39.833 2.660 16.988 1.00 0.00 H new ATOM 290 N GLU C 19 37.522 4.752 14.739 1.00 0.00 N ATOM 291 CA GLU C 19 38.260 5.925 14.276 1.00 0.00 C ATOM 292 C GLU C 19 37.370 7.162 14.260 1.00 0.00 C ATOM 293 O GLU C 19 37.780 8.250 14.676 1.00 0.00 O ATOM 294 CB GLU C 19 38.793 5.665 12.867 1.00 0.00 C ATOM 295 CG GLU C 19 39.923 4.636 12.925 1.00 0.00 C ATOM 296 CD GLU C 19 41.155 5.251 13.577 1.00 0.00 C ATOM 297 OE1 GLU C 19 41.303 6.460 13.493 1.00 0.00 O ATOM 298 OE2 GLU C 19 41.932 4.508 14.154 1.00 0.00 O1- ATOM 0 H GLU C 19 37.447 3.999 14.056 1.00 0.00 H new ATOM 0 HA GLU C 19 39.087 6.105 14.963 1.00 0.00 H new ATOM 0 HB2 GLU C 19 37.990 5.302 12.225 1.00 0.00 H new ATOM 0 HB3 GLU C 19 39.156 6.594 12.428 1.00 0.00 H new ATOM 0 HG2 GLU C 19 39.601 3.761 13.490 1.00 0.00 H new ATOM 0 HG3 GLU C 19 40.166 4.294 11.919 1.00 0.00 H new ATOM 305 N PHE C 20 36.149 6.992 13.782 1.00 0.00 N ATOM 306 CA PHE C 20 35.209 8.101 13.718 1.00 0.00 C ATOM 307 C PHE C 20 34.755 8.486 15.122 1.00 0.00 C ATOM 308 O PHE C 20 34.637 9.665 15.449 1.00 0.00 O ATOM 309 CB PHE C 20 34.008 7.697 12.860 1.00 0.00 C ATOM 310 CG PHE C 20 34.458 7.198 11.491 1.00 0.00 C ATOM 311 CD1 PHE C 20 35.450 7.872 10.739 1.00 0.00 C ATOM 312 CD2 PHE C 20 33.873 6.039 10.968 1.00 0.00 C ATOM 313 CE1 PHE C 20 35.839 7.375 9.487 1.00 0.00 C ATOM 314 CE2 PHE C 20 34.265 5.549 9.718 1.00 0.00 C ATOM 315 CZ PHE C 20 35.248 6.215 8.978 1.00 0.00 C ATOM 0 H PHE C 20 35.786 6.104 13.435 1.00 0.00 H new ATOM 0 HA PHE C 20 35.697 8.965 13.267 1.00 0.00 H new ATOM 0 HB2 PHE C 20 33.440 6.917 13.367 1.00 0.00 H new ATOM 0 HB3 PHE C 20 33.340 8.550 12.739 1.00 0.00 H new ATOM 0 HD1 PHE C 20 35.907 8.769 11.130 1.00 0.00 H new ATOM 0 HD2 PHE C 20 33.114 5.519 11.534 1.00 0.00 H new ATOM 0 HE1 PHE C 20 36.597 7.889 8.915 1.00 0.00 H new ATOM 0 HE2 PHE C 20 33.808 4.654 9.323 1.00 0.00 H new ATOM 0 HZ PHE C 20 35.550 5.833 8.014 1.00 0.00 H new ATOM 325 N LYS C 21 34.524 7.483 15.954 1.00 0.00 N ATOM 326 CA LYS C 21 34.101 7.727 17.322 1.00 0.00 C ATOM 327 C LYS C 21 35.158 8.546 18.055 1.00 0.00 C ATOM 328 O LYS C 21 34.831 9.460 18.815 1.00 0.00 O ATOM 329 CB LYS C 21 33.877 6.397 18.038 1.00 0.00 C ATOM 330 CG LYS C 21 33.345 6.665 19.444 1.00 0.00 C ATOM 331 CD LYS C 21 32.789 5.372 20.050 1.00 0.00 C ATOM 332 CE LYS C 21 33.919 4.366 20.291 1.00 0.00 C ATOM 333 NZ LYS C 21 33.390 3.204 21.062 1.00 0.00 N1+ ATOM 0 H LYS C 21 34.622 6.498 15.707 1.00 0.00 H new ATOM 0 HA LYS C 21 33.166 8.287 17.313 1.00 0.00 H new ATOM 0 HB2 LYS C 21 33.169 5.785 17.479 1.00 0.00 H new ATOM 0 HB3 LYS C 21 34.811 5.837 18.090 1.00 0.00 H new ATOM 0 HG2 LYS C 21 34.142 7.058 20.075 1.00 0.00 H new ATOM 0 HG3 LYS C 21 32.564 7.424 19.407 1.00 0.00 H new ATOM 0 HD2 LYS C 21 32.283 5.592 20.990 1.00 0.00 H new ATOM 0 HD3 LYS C 21 32.045 4.940 19.381 1.00 0.00 H new ATOM 0 HE2 LYS C 21 34.330 4.029 19.339 1.00 0.00 H new ATOM 0 HE3 LYS C 21 34.733 4.841 20.839 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 34.155 2.519 21.227 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 33.018 3.534 21.975 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 32.627 2.747 20.522 1.00 0.00 H new ATOM 347 N ALA C 22 36.428 8.225 17.819 1.00 0.00 N ATOM 348 CA ALA C 22 37.514 8.955 18.465 1.00 0.00 C ATOM 349 C ALA C 22 37.464 10.428 18.072 1.00 0.00 C ATOM 350 O ALA C 22 37.640 11.310 18.912 1.00 0.00 O ATOM 351 CB ALA C 22 38.864 8.363 18.055 1.00 0.00 C ATOM 0 H ALA C 22 36.727 7.476 17.195 1.00 0.00 H new ATOM 0 HA ALA C 22 37.396 8.867 19.545 1.00 0.00 H new ATOM 0 HB1 ALA C 22 39.667 8.916 18.543 1.00 0.00 H new ATOM 0 HB2 ALA C 22 38.909 7.316 18.356 1.00 0.00 H new ATOM 0 HB3 ALA C 22 38.979 8.435 16.974 1.00 0.00 H new ATOM 357 N ALA C 23 37.214 10.690 16.792 1.00 0.00 N ATOM 358 CA ALA C 23 37.132 12.070 16.313 1.00 0.00 C ATOM 359 C ALA C 23 35.990 12.803 17.005 1.00 0.00 C ATOM 360 O ALA C 23 36.122 13.967 17.374 1.00 0.00 O ATOM 361 CB ALA C 23 36.914 12.087 14.801 1.00 0.00 C ATOM 0 H ALA C 23 37.066 9.979 16.076 1.00 0.00 H new ATOM 0 HA ALA C 23 38.069 12.575 16.546 1.00 0.00 H new ATOM 0 HB1 ALA C 23 36.854 13.118 14.454 1.00 0.00 H new ATOM 0 HB2 ALA C 23 37.747 11.586 14.308 1.00 0.00 H new ATOM 0 HB3 ALA C 23 35.985 11.569 14.561 1.00 0.00 H new ATOM 367 N PHE C 24 34.871 12.109 17.188 1.00 0.00 N ATOM 368 CA PHE C 24 33.715 12.704 17.846 1.00 0.00 C ATOM 369 C PHE C 24 34.087 13.148 19.257 1.00 0.00 C ATOM 370 O PHE C 24 33.739 14.250 19.685 1.00 0.00 O ATOM 371 CB PHE C 24 32.564 11.698 17.901 1.00 0.00 C ATOM 372 CG PHE C 24 31.382 12.324 18.602 1.00 0.00 C ATOM 373 CD1 PHE C 24 30.545 13.210 17.912 1.00 0.00 C ATOM 374 CD2 PHE C 24 31.122 12.018 19.943 1.00 0.00 C ATOM 375 CE1 PHE C 24 29.450 13.790 18.563 1.00 0.00 C ATOM 376 CE2 PHE C 24 30.026 12.597 20.594 1.00 0.00 C ATOM 377 CZ PHE C 24 29.190 13.484 19.904 1.00 0.00 C ATOM 0 H PHE C 24 34.741 11.142 16.892 1.00 0.00 H new ATOM 0 HA PHE C 24 33.395 13.575 17.274 1.00 0.00 H new ATOM 0 HB2 PHE C 24 32.283 11.395 16.892 1.00 0.00 H new ATOM 0 HB3 PHE C 24 32.879 10.798 18.429 1.00 0.00 H new ATOM 0 HD1 PHE C 24 30.745 13.446 16.877 1.00 0.00 H new ATOM 0 HD2 PHE C 24 31.767 11.335 20.476 1.00 0.00 H new ATOM 0 HE1 PHE C 24 28.806 14.474 18.031 1.00 0.00 H new ATOM 0 HE2 PHE C 24 29.825 12.360 21.628 1.00 0.00 H new ATOM 0 HZ PHE C 24 28.345 13.932 20.406 1.00 0.00 H new ATOM 387 N ASP C 25 34.798 12.282 19.975 1.00 0.00 N ATOM 388 CA ASP C 25 35.211 12.594 21.338 1.00 0.00 C ATOM 389 C ASP C 25 36.071 13.859 21.345 1.00 0.00 C ATOM 390 O ASP C 25 35.943 14.707 22.226 1.00 0.00 O ATOM 391 CB ASP C 25 36.002 11.420 21.923 1.00 0.00 C ATOM 392 CG ASP C 25 35.064 10.248 22.194 1.00 0.00 C ATOM 393 OD1 ASP C 25 33.862 10.466 22.200 1.00 0.00 O ATOM 394 OD2 ASP C 25 35.558 9.149 22.387 1.00 0.00 O1- ATOM 0 H ASP C 25 35.097 11.367 19.638 1.00 0.00 H new ATOM 0 HA ASP C 25 34.325 12.765 21.949 1.00 0.00 H new ATOM 0 HB2 ASP C 25 36.786 11.117 21.230 1.00 0.00 H new ATOM 0 HB3 ASP C 25 36.494 11.725 22.847 1.00 0.00 H new ATOM 399 N ILE C 26 36.937 13.990 20.350 1.00 0.00 N ATOM 400 CA ILE C 26 37.785 15.162 20.248 1.00 0.00 C ATOM 401 C ILE C 26 36.958 16.399 19.909 1.00 0.00 C ATOM 402 O ILE C 26 37.190 17.478 20.444 1.00 0.00 O ATOM 403 CB ILE C 26 38.845 14.938 19.187 1.00 0.00 C ATOM 404 CG1 ILE C 26 39.807 13.853 19.670 1.00 0.00 C ATOM 405 CG2 ILE C 26 39.605 16.240 18.969 1.00 0.00 C ATOM 406 CD1 ILE C 26 40.720 13.433 18.522 1.00 0.00 C ATOM 0 H ILE C 26 37.068 13.302 19.608 1.00 0.00 H new ATOM 0 HA ILE C 26 38.269 15.326 21.211 1.00 0.00 H new ATOM 0 HB ILE C 26 38.384 14.624 18.250 1.00 0.00 H new ATOM 0 HG12 ILE C 26 40.402 14.225 20.504 1.00 0.00 H new ATOM 0 HG13 ILE C 26 39.247 12.993 20.036 1.00 0.00 H new ATOM 0 HG21 ILE C 26 40.371 16.091 18.208 1.00 0.00 H new ATOM 0 HG22 ILE C 26 38.912 17.015 18.641 1.00 0.00 H new ATOM 0 HG23 ILE C 26 40.077 16.547 19.903 1.00 0.00 H new ATOM 0 HD11 ILE C 26 41.406 12.659 18.867 1.00 0.00 H new ATOM 0 HD12 ILE C 26 40.117 13.044 17.701 1.00 0.00 H new ATOM 0 HD13 ILE C 26 41.290 14.295 18.176 1.00 0.00 H new ATOM 418 N PHE C 27 35.991 16.241 19.015 1.00 0.00 N ATOM 419 CA PHE C 27 35.151 17.368 18.621 1.00 0.00 C ATOM 420 C PHE C 27 34.479 18.006 19.831 1.00 0.00 C ATOM 421 O PHE C 27 34.363 19.230 19.906 1.00 0.00 O ATOM 422 CB PHE C 27 34.072 16.911 17.639 1.00 0.00 C ATOM 423 CG PHE C 27 34.537 17.137 16.224 1.00 0.00 C ATOM 424 CD1 PHE C 27 34.636 18.441 15.733 1.00 0.00 C ATOM 425 CD2 PHE C 27 34.858 16.051 15.402 1.00 0.00 C ATOM 426 CE1 PHE C 27 35.056 18.665 14.419 1.00 0.00 C ATOM 427 CE2 PHE C 27 35.278 16.274 14.085 1.00 0.00 C ATOM 428 CZ PHE C 27 35.377 17.582 13.594 1.00 0.00 C ATOM 0 H PHE C 27 35.769 15.358 18.554 1.00 0.00 H new ATOM 0 HA PHE C 27 35.797 18.105 18.144 1.00 0.00 H new ATOM 0 HB2 PHE C 27 33.851 15.855 17.794 1.00 0.00 H new ATOM 0 HB3 PHE C 27 33.148 17.460 17.819 1.00 0.00 H new ATOM 0 HD1 PHE C 27 34.388 19.277 16.370 1.00 0.00 H new ATOM 0 HD2 PHE C 27 34.782 15.043 15.783 1.00 0.00 H new ATOM 0 HE1 PHE C 27 35.133 19.674 14.041 1.00 0.00 H new ATOM 0 HE2 PHE C 27 35.526 15.438 13.448 1.00 0.00 H new ATOM 0 HZ PHE C 27 35.701 17.754 12.578 1.00 0.00 H new ATOM 438 N VAL C 28 34.029 17.184 20.772 1.00 0.00 N ATOM 439 CA VAL C 28 33.365 17.706 21.964 1.00 0.00 C ATOM 440 C VAL C 28 34.383 18.247 22.965 1.00 0.00 C ATOM 441 O VAL C 28 34.091 18.362 24.154 1.00 0.00 O ATOM 442 CB VAL C 28 32.501 16.622 22.617 1.00 0.00 C ATOM 443 CG1 VAL C 28 31.354 16.248 21.676 1.00 0.00 C ATOM 444 CG2 VAL C 28 33.352 15.385 22.882 1.00 0.00 C ATOM 0 H VAL C 28 34.109 16.168 20.736 1.00 0.00 H new ATOM 0 HA VAL C 28 32.720 18.529 21.656 1.00 0.00 H new ATOM 0 HB VAL C 28 32.098 16.999 23.557 1.00 0.00 H new ATOM 0 HG11 VAL C 28 30.739 15.477 22.140 1.00 0.00 H new ATOM 0 HG12 VAL C 28 30.743 17.129 21.479 1.00 0.00 H new ATOM 0 HG13 VAL C 28 31.761 15.871 20.738 1.00 0.00 H new ATOM 0 HG21 VAL C 28 32.738 14.614 23.347 1.00 0.00 H new ATOM 0 HG22 VAL C 28 33.753 15.011 21.940 1.00 0.00 H new ATOM 0 HG23 VAL C 28 34.174 15.645 23.549 1.00 0.00 H new ATOM 454 N LEU C 29 35.576 18.581 22.471 1.00 0.00 N ATOM 455 CA LEU C 29 36.628 19.121 23.326 1.00 0.00 C ATOM 456 C LEU C 29 36.073 20.198 24.255 1.00 0.00 C ATOM 457 O LEU C 29 36.593 20.404 25.352 1.00 0.00 O ATOM 458 CB LEU C 29 37.751 19.724 22.474 1.00 0.00 C ATOM 459 CG LEU C 29 37.173 20.796 21.547 1.00 0.00 C ATOM 460 CD1 LEU C 29 37.511 22.183 22.092 1.00 0.00 C ATOM 461 CD2 LEU C 29 37.777 20.635 20.153 1.00 0.00 C ATOM 0 H LEU C 29 35.835 18.487 21.489 1.00 0.00 H new ATOM 0 HA LEU C 29 37.024 18.301 23.926 1.00 0.00 H new ATOM 0 HB2 LEU C 29 38.516 20.159 23.117 1.00 0.00 H new ATOM 0 HB3 LEU C 29 38.235 18.943 21.887 1.00 0.00 H new ATOM 0 HG LEU C 29 36.090 20.685 21.493 1.00 0.00 H new ATOM 0 HD11 LEU C 29 37.098 22.944 21.430 1.00 0.00 H new ATOM 0 HD12 LEU C 29 37.083 22.297 23.088 1.00 0.00 H new ATOM 0 HD13 LEU C 29 38.593 22.298 22.147 1.00 0.00 H new ATOM 0 HD21 LEU C 29 37.368 21.397 19.489 1.00 0.00 H new ATOM 0 HD22 LEU C 29 38.860 20.747 20.210 1.00 0.00 H new ATOM 0 HD23 LEU C 29 37.535 19.646 19.763 1.00 0.00 H new ATOM 473 N GLY C 30 35.029 20.892 23.803 1.00 0.00 N ATOM 474 CA GLY C 30 34.430 21.959 24.600 1.00 0.00 C ATOM 475 C GLY C 30 32.914 21.810 24.724 1.00 0.00 C ATOM 476 O GLY C 30 32.196 22.811 24.764 1.00 0.00 O ATOM 0 H GLY C 30 34.585 20.736 22.898 1.00 0.00 H new ATOM 0 HA2 GLY C 30 34.875 21.960 25.595 1.00 0.00 H new ATOM 0 HA3 GLY C 30 34.662 22.922 24.146 1.00 0.00 H new ATOM 480 N ALA C 31 32.432 20.569 24.790 1.00 0.00 N ATOM 481 CA ALA C 31 30.993 20.325 24.918 1.00 0.00 C ATOM 482 C ALA C 31 30.691 19.469 26.144 1.00 0.00 C ATOM 483 O ALA C 31 30.957 18.266 26.158 1.00 0.00 O ATOM 484 CB ALA C 31 30.469 19.617 23.669 1.00 0.00 C ATOM 0 H ALA C 31 33.006 19.727 24.758 1.00 0.00 H new ATOM 0 HA ALA C 31 30.497 21.289 25.031 1.00 0.00 H new ATOM 0 HB1 ALA C 31 29.399 19.440 23.773 1.00 0.00 H new ATOM 0 HB2 ALA C 31 30.650 20.241 22.794 1.00 0.00 H new ATOM 0 HB3 ALA C 31 30.984 18.664 23.548 1.00 0.00 H new ATOM 490 N GLU C 32 30.127 20.097 27.170 1.00 0.00 N ATOM 491 CA GLU C 32 29.785 19.387 28.395 1.00 0.00 C ATOM 492 C GLU C 32 28.595 18.469 28.173 1.00 0.00 C ATOM 493 O GLU C 32 28.461 17.432 28.823 1.00 0.00 O ATOM 494 CB GLU C 32 29.466 20.393 29.496 1.00 0.00 C ATOM 495 CG GLU C 32 28.293 21.274 29.062 1.00 0.00 C ATOM 496 CD GLU C 32 28.031 22.342 30.118 1.00 0.00 C ATOM 497 OE1 GLU C 32 28.104 22.015 31.291 1.00 0.00 O ATOM 498 OE2 GLU C 32 27.768 23.470 29.739 1.00 0.00 O1- ATOM 0 H GLU C 32 29.898 21.091 27.177 1.00 0.00 H new ATOM 0 HA GLU C 32 30.637 18.776 28.693 1.00 0.00 H new ATOM 0 HB2 GLU C 32 29.219 19.870 30.420 1.00 0.00 H new ATOM 0 HB3 GLU C 32 30.340 21.010 29.703 1.00 0.00 H new ATOM 0 HG2 GLU C 32 28.514 21.744 28.104 1.00 0.00 H new ATOM 0 HG3 GLU C 32 27.401 20.664 28.920 1.00 0.00 H new ATOM 505 N ASP C 33 27.739 18.858 27.249 1.00 0.00 N ATOM 506 CA ASP C 33 26.555 18.068 26.936 1.00 0.00 C ATOM 507 C ASP C 33 26.938 16.796 26.187 1.00 0.00 C ATOM 508 O ASP C 33 26.145 15.860 26.091 1.00 0.00 O ATOM 509 CB ASP C 33 25.580 18.892 26.093 1.00 0.00 C ATOM 510 CG ASP C 33 26.241 19.310 24.784 1.00 0.00 C ATOM 511 OD1 ASP C 33 27.414 19.024 24.618 1.00 0.00 O ATOM 512 OD2 ASP C 33 25.563 19.909 23.966 1.00 0.00 O1- ATOM 0 H ASP C 33 27.837 19.713 26.701 1.00 0.00 H new ATOM 0 HA ASP C 33 26.073 17.789 27.873 1.00 0.00 H new ATOM 0 HB2 ASP C 33 24.683 18.308 25.886 1.00 0.00 H new ATOM 0 HB3 ASP C 33 25.264 19.775 26.648 1.00 0.00 H new ATOM 517 N GLY C 34 28.160 16.764 25.662 1.00 0.00 N ATOM 518 CA GLY C 34 28.631 15.595 24.930 1.00 0.00 C ATOM 519 C GLY C 34 28.124 15.608 23.493 1.00 0.00 C ATOM 520 O GLY C 34 28.117 14.579 22.818 1.00 0.00 O ATOM 0 H GLY C 34 28.835 17.526 25.729 1.00 0.00 H new ATOM 0 HA2 GLY C 34 29.721 15.574 24.934 1.00 0.00 H new ATOM 0 HA3 GLY C 34 28.292 14.688 25.430 1.00 0.00 H new ATOM 524 N CYS C 35 27.700 16.784 23.035 1.00 0.00 N ATOM 525 CA CYS C 35 27.190 16.930 21.670 1.00 0.00 C ATOM 526 C CYS C 35 27.969 18.013 20.921 1.00 0.00 C ATOM 527 O CYS C 35 28.688 18.804 21.529 1.00 0.00 O ATOM 528 CB CYS C 35 25.705 17.297 21.694 1.00 0.00 C ATOM 529 SG CYS C 35 24.855 16.455 20.335 1.00 0.00 S ATOM 0 H CYS C 35 27.698 17.644 23.583 1.00 0.00 H new ATOM 0 HA CYS C 35 27.317 15.978 21.155 1.00 0.00 H new ATOM 0 HB2 CYS C 35 25.263 17.009 22.648 1.00 0.00 H new ATOM 0 HB3 CYS C 35 25.584 18.376 21.600 1.00 0.00 H new ATOM 0 HG CYS C 35 25.685 16.271 19.352 1.00 0.00 H new ATOM 535 N ILE C 36 27.819 18.037 19.598 1.00 0.00 N ATOM 536 CA ILE C 36 28.510 19.024 18.768 1.00 0.00 C ATOM 537 C ILE C 36 27.528 20.082 18.284 1.00 0.00 C ATOM 538 O ILE C 36 26.481 19.764 17.720 1.00 0.00 O ATOM 539 CB ILE C 36 29.159 18.332 17.563 1.00 0.00 C ATOM 540 CG1 ILE C 36 30.165 17.294 18.063 1.00 0.00 C ATOM 541 CG2 ILE C 36 29.878 19.360 16.678 1.00 0.00 C ATOM 542 CD1 ILE C 36 30.669 16.458 16.884 1.00 0.00 C ATOM 0 H ILE C 36 27.228 17.388 19.079 1.00 0.00 H new ATOM 0 HA ILE C 36 29.284 19.505 19.366 1.00 0.00 H new ATOM 0 HB ILE C 36 28.384 17.844 16.972 1.00 0.00 H new ATOM 0 HG12 ILE C 36 31.002 17.791 18.554 1.00 0.00 H new ATOM 0 HG13 ILE C 36 29.697 16.648 18.806 1.00 0.00 H new ATOM 0 HG21 ILE C 36 30.333 18.853 15.827 1.00 0.00 H new ATOM 0 HG22 ILE C 36 29.159 20.097 16.319 1.00 0.00 H new ATOM 0 HG23 ILE C 36 30.653 19.861 17.258 1.00 0.00 H new ATOM 0 HD11 ILE C 36 31.386 15.719 17.242 1.00 0.00 H new ATOM 0 HD12 ILE C 36 29.828 15.949 16.413 1.00 0.00 H new ATOM 0 HD13 ILE C 36 31.153 17.110 16.156 1.00 0.00 H new ATOM 554 N SER C 37 27.874 21.340 18.519 1.00 0.00 N ATOM 555 CA SER C 37 27.021 22.447 18.113 1.00 0.00 C ATOM 556 C SER C 37 27.844 23.501 17.390 1.00 0.00 C ATOM 557 O SER C 37 28.978 23.244 16.982 1.00 0.00 O ATOM 558 CB SER C 37 26.354 23.068 19.341 1.00 0.00 C ATOM 559 OG SER C 37 25.201 23.794 18.934 1.00 0.00 O ATOM 0 H SER C 37 28.736 21.618 18.987 1.00 0.00 H new ATOM 0 HA SER C 37 26.252 22.070 17.439 1.00 0.00 H new ATOM 0 HB2 SER C 37 26.075 22.289 20.051 1.00 0.00 H new ATOM 0 HB3 SER C 37 27.053 23.730 19.853 1.00 0.00 H new ATOM 0 HG SER C 37 24.771 24.192 19.720 1.00 0.00 H new ATOM 565 N THR C 38 27.269 24.682 17.230 1.00 0.00 N ATOM 566 CA THR C 38 27.959 25.762 16.552 1.00 0.00 C ATOM 567 C THR C 38 29.172 26.208 17.364 1.00 0.00 C ATOM 568 O THR C 38 30.131 26.750 16.817 1.00 0.00 O ATOM 569 CB THR C 38 27.000 26.939 16.358 1.00 0.00 C ATOM 570 OG1 THR C 38 26.547 27.392 17.626 1.00 0.00 O ATOM 571 CG2 THR C 38 25.801 26.492 15.517 1.00 0.00 C ATOM 0 H THR C 38 26.332 24.914 17.559 1.00 0.00 H new ATOM 0 HA THR C 38 28.302 25.409 15.579 1.00 0.00 H new ATOM 0 HB THR C 38 27.519 27.749 15.845 1.00 0.00 H new ATOM 0 HG1 THR C 38 25.934 28.147 17.504 1.00 0.00 H new ATOM 0 HG21 THR C 38 25.119 27.332 15.380 1.00 0.00 H new ATOM 0 HG22 THR C 38 26.148 26.144 14.544 1.00 0.00 H new ATOM 0 HG23 THR C 38 25.281 25.682 16.027 1.00 0.00 H new ATOM 579 N LYS C 39 29.119 25.987 18.675 1.00 0.00 N ATOM 580 CA LYS C 39 30.222 26.384 19.545 1.00 0.00 C ATOM 581 C LYS C 39 31.483 25.567 19.248 1.00 0.00 C ATOM 582 O LYS C 39 32.565 26.126 19.051 1.00 0.00 O ATOM 583 CB LYS C 39 29.819 26.175 21.006 1.00 0.00 C ATOM 584 CG LYS C 39 28.643 27.094 21.349 1.00 0.00 C ATOM 585 CD LYS C 39 28.257 26.909 22.819 1.00 0.00 C ATOM 586 CE LYS C 39 27.073 27.817 23.154 1.00 0.00 C ATOM 587 NZ LYS C 39 25.886 27.392 22.359 1.00 0.00 N1+ ATOM 0 H LYS C 39 28.336 25.542 19.153 1.00 0.00 H new ATOM 0 HA LYS C 39 30.440 27.436 19.361 1.00 0.00 H new ATOM 0 HB2 LYS C 39 29.541 25.134 21.172 1.00 0.00 H new ATOM 0 HB3 LYS C 39 30.664 26.388 21.661 1.00 0.00 H new ATOM 0 HG2 LYS C 39 28.914 28.133 21.162 1.00 0.00 H new ATOM 0 HG3 LYS C 39 27.792 26.866 20.708 1.00 0.00 H new ATOM 0 HD2 LYS C 39 27.996 25.868 23.009 1.00 0.00 H new ATOM 0 HD3 LYS C 39 29.105 27.147 23.461 1.00 0.00 H new ATOM 0 HE2 LYS C 39 26.849 27.764 24.219 1.00 0.00 H new ATOM 0 HE3 LYS C 39 27.321 28.855 22.932 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 25.062 27.301 22.987 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 25.686 28.103 21.626 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 26.080 26.475 21.908 1.00 0.00 H new ATOM 601 N GLU C 40 31.335 24.240 19.214 1.00 0.00 N ATOM 602 CA GLU C 40 32.469 23.358 18.943 1.00 0.00 C ATOM 603 C GLU C 40 32.978 23.547 17.520 1.00 0.00 C ATOM 604 O GLU C 40 34.185 23.608 17.279 1.00 0.00 O ATOM 605 CB GLU C 40 32.040 21.902 19.130 1.00 0.00 C ATOM 606 CG GLU C 40 31.789 21.599 20.613 1.00 0.00 C ATOM 607 CD GLU C 40 30.414 22.108 21.041 1.00 0.00 C ATOM 608 OE1 GLU C 40 29.681 22.580 20.188 1.00 0.00 O ATOM 609 OE2 GLU C 40 30.118 22.020 22.221 1.00 0.00 O1- ATOM 0 H GLU C 40 30.450 23.758 19.369 1.00 0.00 H new ATOM 0 HA GLU C 40 33.270 23.607 19.639 1.00 0.00 H new ATOM 0 HB2 GLU C 40 31.135 21.707 18.555 1.00 0.00 H new ATOM 0 HB3 GLU C 40 32.812 21.237 18.743 1.00 0.00 H new ATOM 0 HG2 GLU C 40 31.855 20.525 20.786 1.00 0.00 H new ATOM 0 HG3 GLU C 40 32.562 22.068 21.221 1.00 0.00 H new ATOM 616 N LEU C 41 32.048 23.650 16.582 1.00 0.00 N ATOM 617 CA LEU C 41 32.406 23.846 15.185 1.00 0.00 C ATOM 618 C LEU C 41 33.022 25.219 14.988 1.00 0.00 C ATOM 619 O LEU C 41 33.943 25.390 14.192 1.00 0.00 O ATOM 620 CB LEU C 41 31.171 23.677 14.294 1.00 0.00 C ATOM 621 CG LEU C 41 30.897 22.187 14.062 1.00 0.00 C ATOM 622 CD1 LEU C 41 29.445 22.002 13.627 1.00 0.00 C ATOM 623 CD2 LEU C 41 31.810 21.654 12.949 1.00 0.00 C ATOM 0 H LEU C 41 31.045 23.601 16.761 1.00 0.00 H new ATOM 0 HA LEU C 41 33.142 23.094 14.902 1.00 0.00 H new ATOM 0 HB2 LEU C 41 30.306 24.146 14.763 1.00 0.00 H new ATOM 0 HB3 LEU C 41 31.328 24.180 13.340 1.00 0.00 H new ATOM 0 HG LEU C 41 31.088 21.644 14.988 1.00 0.00 H new ATOM 0 HD11 LEU C 41 29.247 20.943 13.461 1.00 0.00 H new ATOM 0 HD12 LEU C 41 28.781 22.378 14.406 1.00 0.00 H new ATOM 0 HD13 LEU C 41 29.269 22.553 12.703 1.00 0.00 H new ATOM 0 HD21 LEU C 41 31.609 20.594 12.790 1.00 0.00 H new ATOM 0 HD22 LEU C 41 31.618 22.202 12.027 1.00 0.00 H new ATOM 0 HD23 LEU C 41 32.852 21.786 13.239 1.00 0.00 H new ATOM 635 N GLY C 42 32.511 26.195 15.723 1.00 0.00 N ATOM 636 CA GLY C 42 33.020 27.553 15.621 1.00 0.00 C ATOM 637 C GLY C 42 34.500 27.610 15.984 1.00 0.00 C ATOM 638 O GLY C 42 35.274 28.321 15.344 1.00 0.00 O ATOM 0 H GLY C 42 31.750 26.073 16.391 1.00 0.00 H new ATOM 0 HA2 GLY C 42 32.876 27.924 14.606 1.00 0.00 H new ATOM 0 HA3 GLY C 42 32.454 28.208 16.283 1.00 0.00 H new ATOM 642 N LYS C 43 34.894 26.862 17.012 1.00 0.00 N ATOM 643 CA LYS C 43 36.289 26.854 17.434 1.00 0.00 C ATOM 644 C LYS C 43 37.161 26.148 16.402 1.00 0.00 C ATOM 645 O LYS C 43 38.271 26.588 16.099 1.00 0.00 O ATOM 646 CB LYS C 43 36.403 26.151 18.786 1.00 0.00 C ATOM 647 CG LYS C 43 35.717 26.995 19.866 1.00 0.00 C ATOM 648 CD LYS C 43 36.683 28.052 20.415 1.00 0.00 C ATOM 649 CE LYS C 43 35.980 28.851 21.517 1.00 0.00 C ATOM 650 NZ LYS C 43 36.930 29.840 22.102 1.00 0.00 N1+ ATOM 0 H LYS C 43 34.277 26.263 17.560 1.00 0.00 H new ATOM 0 HA LYS C 43 36.637 27.883 17.526 1.00 0.00 H new ATOM 0 HB2 LYS C 43 35.942 25.165 18.734 1.00 0.00 H new ATOM 0 HB3 LYS C 43 37.452 25.999 19.041 1.00 0.00 H new ATOM 0 HG2 LYS C 43 34.835 27.481 19.450 1.00 0.00 H new ATOM 0 HG3 LYS C 43 35.374 26.351 20.676 1.00 0.00 H new ATOM 0 HD2 LYS C 43 37.579 27.573 20.811 1.00 0.00 H new ATOM 0 HD3 LYS C 43 37.005 28.718 19.615 1.00 0.00 H new ATOM 0 HE2 LYS C 43 35.110 29.365 21.109 1.00 0.00 H new ATOM 0 HE3 LYS C 43 35.617 28.177 22.293 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 36.451 30.381 22.850 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 37.747 29.339 22.506 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 37.256 30.490 21.359 1.00 0.00 H new ATOM 664 N VAL C 44 36.641 25.055 15.867 1.00 0.00 N ATOM 665 CA VAL C 44 37.360 24.280 14.866 1.00 0.00 C ATOM 666 C VAL C 44 37.601 25.106 13.613 1.00 0.00 C ATOM 667 O VAL C 44 38.703 25.119 13.062 1.00 0.00 O ATOM 668 CB VAL C 44 36.530 23.066 14.487 1.00 0.00 C ATOM 669 CG1 VAL C 44 37.175 22.353 13.296 1.00 0.00 C ATOM 670 CG2 VAL C 44 36.447 22.105 15.673 1.00 0.00 C ATOM 0 H VAL C 44 35.722 24.683 16.109 1.00 0.00 H new ATOM 0 HA VAL C 44 38.320 23.979 15.286 1.00 0.00 H new ATOM 0 HB VAL C 44 35.526 23.390 14.215 1.00 0.00 H new ATOM 0 HG11 VAL C 44 36.577 21.482 13.026 1.00 0.00 H new ATOM 0 HG12 VAL C 44 37.226 23.035 12.448 1.00 0.00 H new ATOM 0 HG13 VAL C 44 38.182 22.033 13.565 1.00 0.00 H new ATOM 0 HG21 VAL C 44 35.850 21.236 15.396 1.00 0.00 H new ATOM 0 HG22 VAL C 44 37.450 21.783 15.951 1.00 0.00 H new ATOM 0 HG23 VAL C 44 35.981 22.610 16.519 1.00 0.00 H new ATOM 680 N MET C 45 36.555 25.783 13.154 1.00 0.00 N ATOM 681 CA MET C 45 36.678 26.585 11.950 1.00 0.00 C ATOM 682 C MET C 45 37.671 27.718 12.173 1.00 0.00 C ATOM 683 O MET C 45 38.442 28.066 11.278 1.00 0.00 O ATOM 684 CB MET C 45 35.323 27.151 11.513 1.00 0.00 C ATOM 685 CG MET C 45 34.422 26.004 11.033 1.00 0.00 C ATOM 686 SD MET C 45 32.903 26.672 10.305 1.00 0.00 S ATOM 687 CE MET C 45 33.546 26.940 8.631 1.00 0.00 C ATOM 0 H MET C 45 35.632 25.792 13.588 1.00 0.00 H new ATOM 0 HA MET C 45 37.044 25.938 11.153 1.00 0.00 H new ATOM 0 HB2 MET C 45 34.851 27.676 12.343 1.00 0.00 H new ATOM 0 HB3 MET C 45 35.461 27.879 10.713 1.00 0.00 H new ATOM 0 HG2 MET C 45 34.951 25.398 10.298 1.00 0.00 H new ATOM 0 HG3 MET C 45 34.177 25.349 11.869 1.00 0.00 H new ATOM 0 HE1 MET C 45 32.759 27.356 8.001 1.00 0.00 H new ATOM 0 HE2 MET C 45 34.385 27.635 8.670 1.00 0.00 H new ATOM 0 HE3 MET C 45 33.881 25.990 8.213 1.00 0.00 H new ATOM 697 N ARG C 46 37.643 28.292 13.372 1.00 0.00 N ATOM 698 CA ARG C 46 38.543 29.389 13.709 1.00 0.00 C ATOM 699 C ARG C 46 39.996 28.942 13.581 1.00 0.00 C ATOM 700 O ARG C 46 40.832 29.663 13.043 1.00 0.00 O ATOM 701 CB ARG C 46 38.265 29.853 15.143 1.00 0.00 C ATOM 702 CG ARG C 46 39.128 31.071 15.502 1.00 0.00 C ATOM 703 CD ARG C 46 38.770 32.262 14.608 1.00 0.00 C ATOM 704 NE ARG C 46 39.137 33.512 15.266 1.00 0.00 N ATOM 705 CZ ARG C 46 40.364 34.019 15.170 1.00 0.00 C ATOM 706 NH1 ARG C 46 41.279 33.394 14.481 1.00 0.00 N ATOM 707 NH2 ARG C 46 40.653 35.143 15.772 1.00 0.00 N1+ ATOM 0 H ARG C 46 37.010 28.017 14.123 1.00 0.00 H new ATOM 0 HA ARG C 46 38.372 30.215 13.019 1.00 0.00 H new ATOM 0 HB2 ARG C 46 37.210 30.106 15.250 1.00 0.00 H new ATOM 0 HB3 ARG C 46 38.470 29.039 15.839 1.00 0.00 H new ATOM 0 HG2 ARG C 46 38.977 31.336 16.549 1.00 0.00 H new ATOM 0 HG3 ARG C 46 40.183 30.824 15.384 1.00 0.00 H new ATOM 0 HD2 ARG C 46 39.289 32.179 13.653 1.00 0.00 H new ATOM 0 HD3 ARG C 46 37.702 32.256 14.392 1.00 0.00 H new ATOM 0 HE ARG C 46 38.435 34.010 15.814 1.00 0.00 H new ATOM 0 HH11 ARG C 46 41.055 32.515 14.015 1.00 0.00 H new ATOM 0 HH12 ARG C 46 42.219 33.784 14.409 1.00 0.00 H new ATOM 0 HH21 ARG C 46 39.939 35.630 16.314 1.00 0.00 H new ATOM 0 HH22 ARG C 46 41.593 35.533 15.700 1.00 0.00 H new ATOM 721 N MET C 47 40.289 27.744 14.073 1.00 0.00 N ATOM 722 CA MET C 47 41.641 27.214 14.003 1.00 0.00 C ATOM 723 C MET C 47 42.078 27.076 12.548 1.00 0.00 C ATOM 724 O MET C 47 43.230 27.335 12.206 1.00 0.00 O ATOM 725 CB MET C 47 41.702 25.855 14.695 1.00 0.00 C ATOM 726 CG MET C 47 43.161 25.463 14.913 1.00 0.00 C ATOM 727 SD MET C 47 43.780 26.278 16.406 1.00 0.00 S ATOM 728 CE MET C 47 45.213 27.094 15.662 1.00 0.00 C ATOM 0 H MET C 47 39.612 27.127 14.521 1.00 0.00 H new ATOM 0 HA MET C 47 42.316 27.904 14.509 1.00 0.00 H new ATOM 0 HB2 MET C 47 41.178 25.897 15.650 1.00 0.00 H new ATOM 0 HB3 MET C 47 41.198 25.102 14.088 1.00 0.00 H new ATOM 0 HG2 MET C 47 43.248 24.381 15.012 1.00 0.00 H new ATOM 0 HG3 MET C 47 43.761 25.753 14.050 1.00 0.00 H new ATOM 0 HE1 MET C 47 45.745 27.662 16.425 1.00 0.00 H new ATOM 0 HE2 MET C 47 45.880 26.343 15.238 1.00 0.00 H new ATOM 0 HE3 MET C 47 44.879 27.769 14.874 1.00 0.00 H new ATOM 738 N LEU C 48 41.144 26.672 11.701 1.00 0.00 N ATOM 739 CA LEU C 48 41.430 26.502 10.279 1.00 0.00 C ATOM 740 C LEU C 48 41.771 27.845 9.633 1.00 0.00 C ATOM 741 O LEU C 48 42.315 27.888 8.530 1.00 0.00 O ATOM 742 CB LEU C 48 40.219 25.883 9.573 1.00 0.00 C ATOM 743 CG LEU C 48 40.064 24.413 9.992 1.00 0.00 C ATOM 744 CD1 LEU C 48 38.731 23.873 9.474 1.00 0.00 C ATOM 745 CD2 LEU C 48 41.205 23.571 9.403 1.00 0.00 C ATOM 0 H LEU C 48 40.184 26.456 11.969 1.00 0.00 H new ATOM 0 HA LEU C 48 42.288 25.838 10.177 1.00 0.00 H new ATOM 0 HB2 LEU C 48 39.316 26.439 9.826 1.00 0.00 H new ATOM 0 HB3 LEU C 48 40.343 25.951 8.492 1.00 0.00 H new ATOM 0 HG LEU C 48 40.095 24.353 11.080 1.00 0.00 H new ATOM 0 HD11 LEU C 48 38.621 22.830 9.771 1.00 0.00 H new ATOM 0 HD12 LEU C 48 37.913 24.458 9.894 1.00 0.00 H new ATOM 0 HD13 LEU C 48 38.707 23.945 8.387 1.00 0.00 H new ATOM 0 HD21 LEU C 48 41.084 22.531 9.707 1.00 0.00 H new ATOM 0 HD22 LEU C 48 41.181 23.636 8.315 1.00 0.00 H new ATOM 0 HD23 LEU C 48 42.161 23.947 9.768 1.00 0.00 H new ATOM 757 N GLY C 49 41.454 28.940 10.321 1.00 0.00 N ATOM 758 CA GLY C 49 41.744 30.266 9.788 1.00 0.00 C ATOM 759 C GLY C 49 40.509 30.877 9.141 1.00 0.00 C ATOM 760 O GLY C 49 40.594 31.898 8.457 1.00 0.00 O ATOM 0 H GLY C 49 41.003 28.935 11.236 1.00 0.00 H new ATOM 0 HA2 GLY C 49 42.097 30.915 10.590 1.00 0.00 H new ATOM 0 HA3 GLY C 49 42.548 30.199 9.055 1.00 0.00 H new ATOM 764 N GLN C 50 39.361 30.247 9.360 1.00 0.00 N ATOM 765 CA GLN C 50 38.116 30.736 8.794 1.00 0.00 C ATOM 766 C GLN C 50 37.342 31.547 9.824 1.00 0.00 C ATOM 767 O GLN C 50 37.371 31.248 11.018 1.00 0.00 O ATOM 768 CB GLN C 50 37.257 29.565 8.315 1.00 0.00 C ATOM 769 CG GLN C 50 38.101 28.640 7.438 1.00 0.00 C ATOM 770 CD GLN C 50 37.263 28.119 6.277 1.00 0.00 C ATOM 771 OE1 GLN C 50 36.218 27.504 6.490 1.00 0.00 O ATOM 772 NE2 GLN C 50 37.659 28.338 5.053 1.00 0.00 N ATOM 0 H GLN C 50 39.269 29.401 9.923 1.00 0.00 H new ATOM 0 HA GLN C 50 38.356 31.378 7.946 1.00 0.00 H new ATOM 0 HB2 GLN C 50 36.864 29.015 9.170 1.00 0.00 H new ATOM 0 HB3 GLN C 50 36.400 29.935 7.753 1.00 0.00 H new ATOM 0 HG2 GLN C 50 38.970 29.178 7.058 1.00 0.00 H new ATOM 0 HG3 GLN C 50 38.476 27.805 8.030 1.00 0.00 H new ATOM 0 HE21 GLN C 50 38.525 28.848 4.881 1.00 0.00 H new ATOM 0 HE22 GLN C 50 37.102 27.999 4.268 1.00 0.00 H new ATOM 781 N ASN C 51 36.647 32.571 9.348 1.00 0.00 N ATOM 782 CA ASN C 51 35.854 33.425 10.221 1.00 0.00 C ATOM 783 C ASN C 51 34.443 33.579 9.669 1.00 0.00 C ATOM 784 O ASN C 51 34.049 34.658 9.227 1.00 0.00 O ATOM 785 CB ASN C 51 36.508 34.802 10.347 1.00 0.00 C ATOM 786 CG ASN C 51 37.902 34.664 10.951 1.00 0.00 C ATOM 787 OD1 ASN C 51 38.611 33.700 10.665 1.00 0.00 O ATOM 788 ND2 ASN C 51 38.339 35.576 11.777 1.00 0.00 N ATOM 0 H ASN C 51 36.616 32.830 8.362 1.00 0.00 H new ATOM 0 HA ASN C 51 35.803 32.961 11.206 1.00 0.00 H new ATOM 0 HB2 ASN C 51 36.573 35.274 9.367 1.00 0.00 H new ATOM 0 HB3 ASN C 51 35.894 35.450 10.973 1.00 0.00 H new ATOM 0 HD21 ASN C 51 39.269 35.490 12.186 1.00 0.00 H new ATOM 0 HD22 ASN C 51 37.750 36.375 12.013 1.00 0.00 H new ATOM 795 N PRO C 52 33.677 32.520 9.696 1.00 0.00 N ATOM 796 CA PRO C 52 32.275 32.523 9.199 1.00 0.00 C ATOM 797 C PRO C 52 31.345 33.215 10.182 1.00 0.00 C ATOM 798 O PRO C 52 31.803 33.876 11.118 1.00 0.00 O ATOM 799 CB PRO C 52 31.931 31.042 9.074 1.00 0.00 C ATOM 800 CG PRO C 52 32.792 30.365 10.085 1.00 0.00 C ATOM 801 CD PRO C 52 34.066 31.195 10.209 1.00 0.00 C ATOM 0 HA PRO C 52 32.165 33.064 8.259 1.00 0.00 H new ATOM 0 HB2 PRO C 52 30.874 30.863 9.271 1.00 0.00 H new ATOM 0 HB3 PRO C 52 32.135 30.672 8.069 1.00 0.00 H new ATOM 0 HG2 PRO C 52 32.280 30.297 11.045 1.00 0.00 H new ATOM 0 HG3 PRO C 52 33.024 29.346 9.775 1.00 0.00 H new ATOM 0 HD2 PRO C 52 34.407 31.251 11.243 1.00 0.00 H new ATOM 0 HD3 PRO C 52 34.881 30.765 9.627 1.00 0.00 H new ATOM 809 N THR C 53 30.042 33.060 9.967 1.00 0.00 N ATOM 810 CA THR C 53 29.056 33.676 10.844 1.00 0.00 C ATOM 811 C THR C 53 28.123 32.617 11.447 1.00 0.00 C ATOM 812 O THR C 53 27.888 31.576 10.826 1.00 0.00 O ATOM 813 CB THR C 53 28.233 34.694 10.050 1.00 0.00 C ATOM 814 OG1 THR C 53 27.653 34.062 8.917 1.00 0.00 O ATOM 815 CG2 THR C 53 29.142 35.833 9.591 1.00 0.00 C ATOM 0 H THR C 53 29.648 32.517 9.199 1.00 0.00 H new ATOM 0 HA THR C 53 29.580 34.177 11.658 1.00 0.00 H new ATOM 0 HB THR C 53 27.441 35.092 10.684 1.00 0.00 H new ATOM 0 HG1 THR C 53 27.126 34.716 8.412 1.00 0.00 H new ATOM 0 HG21 THR C 53 28.558 36.559 9.025 1.00 0.00 H new ATOM 0 HG22 THR C 53 29.582 36.320 10.461 1.00 0.00 H new ATOM 0 HG23 THR C 53 29.935 35.433 8.959 1.00 0.00 H new ATOM 823 N PRO C 54 27.576 32.851 12.630 1.00 0.00 N ATOM 824 CA PRO C 54 26.644 31.878 13.280 1.00 0.00 C ATOM 825 C PRO C 54 25.541 31.402 12.337 1.00 0.00 C ATOM 826 O PRO C 54 25.071 30.271 12.442 1.00 0.00 O ATOM 827 CB PRO C 54 26.022 32.681 14.422 1.00 0.00 C ATOM 828 CG PRO C 54 27.036 33.708 14.782 1.00 0.00 C ATOM 829 CD PRO C 54 27.794 34.040 13.492 1.00 0.00 C ATOM 0 HA PRO C 54 27.171 30.978 13.597 1.00 0.00 H new ATOM 0 HB2 PRO C 54 25.086 33.145 14.111 1.00 0.00 H new ATOM 0 HB3 PRO C 54 25.793 32.040 15.273 1.00 0.00 H new ATOM 0 HG2 PRO C 54 26.558 34.598 15.192 1.00 0.00 H new ATOM 0 HG3 PRO C 54 27.716 33.331 15.546 1.00 0.00 H new ATOM 0 HD2 PRO C 54 27.409 34.947 13.025 1.00 0.00 H new ATOM 0 HD3 PRO C 54 28.854 34.205 13.683 1.00 0.00 H new ATOM 837 N GLU C 55 25.112 32.278 11.437 1.00 0.00 N ATOM 838 CA GLU C 55 24.043 31.940 10.503 1.00 0.00 C ATOM 839 C GLU C 55 24.467 30.795 9.604 1.00 0.00 C ATOM 840 O GLU C 55 23.685 29.891 9.314 1.00 0.00 O ATOM 841 CB GLU C 55 23.742 33.149 9.628 1.00 0.00 C ATOM 842 CG GLU C 55 23.273 34.281 10.524 1.00 0.00 C ATOM 843 CD GLU C 55 22.948 35.519 9.698 1.00 0.00 C ATOM 844 OE1 GLU C 55 23.077 35.450 8.487 1.00 0.00 O ATOM 845 OE2 GLU C 55 22.578 36.520 10.289 1.00 0.00 O1- ATOM 0 H GLU C 55 25.484 33.222 11.333 1.00 0.00 H new ATOM 0 HA GLU C 55 23.162 31.647 11.074 1.00 0.00 H new ATOM 0 HB2 GLU C 55 24.632 33.447 9.074 1.00 0.00 H new ATOM 0 HB3 GLU C 55 22.975 32.904 8.893 1.00 0.00 H new ATOM 0 HG2 GLU C 55 22.391 33.968 11.083 1.00 0.00 H new ATOM 0 HG3 GLU C 55 24.046 34.518 11.255 1.00 0.00 H new ATOM 852 N GLU C 56 25.710 30.862 9.158 1.00 0.00 N ATOM 853 CA GLU C 56 26.248 29.833 8.268 1.00 0.00 C ATOM 854 C GLU C 56 26.344 28.506 8.985 1.00 0.00 C ATOM 855 O GLU C 56 25.966 27.466 8.449 1.00 0.00 O ATOM 856 CB GLU C 56 27.641 30.216 7.777 1.00 0.00 C ATOM 857 CG GLU C 56 27.530 31.445 6.887 1.00 0.00 C ATOM 858 CD GLU C 56 28.890 31.797 6.291 1.00 0.00 C ATOM 859 OE1 GLU C 56 29.860 31.153 6.654 1.00 0.00 O ATOM 860 OE2 GLU C 56 28.939 32.700 5.472 1.00 0.00 O1- ATOM 0 H GLU C 56 26.365 31.608 9.392 1.00 0.00 H new ATOM 0 HA GLU C 56 25.569 29.748 7.419 1.00 0.00 H new ATOM 0 HB2 GLU C 56 28.296 30.422 8.624 1.00 0.00 H new ATOM 0 HB3 GLU C 56 28.086 29.389 7.224 1.00 0.00 H new ATOM 0 HG2 GLU C 56 26.813 31.259 6.087 1.00 0.00 H new ATOM 0 HG3 GLU C 56 27.151 32.287 7.466 1.00 0.00 H new ATOM 867 N LEU C 57 26.855 28.552 10.204 1.00 0.00 N ATOM 868 CA LEU C 57 26.996 27.340 10.993 1.00 0.00 C ATOM 869 C LEU C 57 25.630 26.760 11.322 1.00 0.00 C ATOM 870 O LEU C 57 25.438 25.545 11.293 1.00 0.00 O ATOM 871 CB LEU C 57 27.761 27.624 12.289 1.00 0.00 C ATOM 872 CG LEU C 57 29.269 27.484 12.049 1.00 0.00 C ATOM 873 CD1 LEU C 57 29.733 28.513 11.017 1.00 0.00 C ATOM 874 CD2 LEU C 57 30.017 27.711 13.367 1.00 0.00 C ATOM 0 H LEU C 57 27.175 29.404 10.664 1.00 0.00 H new ATOM 0 HA LEU C 57 27.559 26.616 10.403 1.00 0.00 H new ATOM 0 HB2 LEU C 57 27.533 28.629 12.643 1.00 0.00 H new ATOM 0 HB3 LEU C 57 27.443 26.932 13.068 1.00 0.00 H new ATOM 0 HG LEU C 57 29.480 26.483 11.674 1.00 0.00 H new ATOM 0 HD11 LEU C 57 30.805 28.406 10.853 1.00 0.00 H new ATOM 0 HD12 LEU C 57 29.204 28.350 10.078 1.00 0.00 H new ATOM 0 HD13 LEU C 57 29.521 29.517 11.384 1.00 0.00 H new ATOM 0 HD21 LEU C 57 31.089 27.612 13.199 1.00 0.00 H new ATOM 0 HD22 LEU C 57 29.799 28.711 13.741 1.00 0.00 H new ATOM 0 HD23 LEU C 57 29.695 26.971 14.100 1.00 0.00 H new ATOM 886 N GLN C 58 24.688 27.638 11.637 1.00 0.00 N ATOM 887 CA GLN C 58 23.338 27.202 11.976 1.00 0.00 C ATOM 888 C GLN C 58 22.680 26.517 10.782 1.00 0.00 C ATOM 889 O GLN C 58 22.050 25.470 10.923 1.00 0.00 O ATOM 890 CB GLN C 58 22.502 28.408 12.415 1.00 0.00 C ATOM 891 CG GLN C 58 21.128 27.949 12.919 1.00 0.00 C ATOM 892 CD GLN C 58 21.275 27.067 14.158 1.00 0.00 C ATOM 893 OE1 GLN C 58 21.950 27.445 15.115 1.00 0.00 O ATOM 894 NE2 GLN C 58 20.666 25.912 14.201 1.00 0.00 N ATOM 0 H GLN C 58 24.830 28.648 11.665 1.00 0.00 H new ATOM 0 HA GLN C 58 23.396 26.485 12.795 1.00 0.00 H new ATOM 0 HB2 GLN C 58 23.023 28.952 13.203 1.00 0.00 H new ATOM 0 HB3 GLN C 58 22.379 29.097 11.579 1.00 0.00 H new ATOM 0 HG2 GLN C 58 20.513 28.817 13.155 1.00 0.00 H new ATOM 0 HG3 GLN C 58 20.612 27.398 12.133 1.00 0.00 H new ATOM 0 HE21 GLN C 58 20.107 25.600 13.407 1.00 0.00 H new ATOM 0 HE22 GLN C 58 20.750 25.322 15.029 1.00 0.00 H new ATOM 903 N GLU C 59 22.838 27.112 9.603 1.00 0.00 N ATOM 904 CA GLU C 59 22.264 26.553 8.391 1.00 0.00 C ATOM 905 C GLU C 59 22.917 25.216 8.051 1.00 0.00 C ATOM 906 O GLU C 59 22.242 24.280 7.623 1.00 0.00 O ATOM 907 CB GLU C 59 22.441 27.534 7.234 1.00 0.00 C ATOM 908 CG GLU C 59 21.753 26.974 5.992 1.00 0.00 C ATOM 909 CD GLU C 59 21.864 27.962 4.840 1.00 0.00 C ATOM 910 OE1 GLU C 59 22.981 28.294 4.477 1.00 0.00 O ATOM 911 OE2 GLU C 59 20.832 28.371 4.334 1.00 0.00 O1- ATOM 0 H GLU C 59 23.358 27.979 9.465 1.00 0.00 H new ATOM 0 HA GLU C 59 21.200 26.382 8.557 1.00 0.00 H new ATOM 0 HB2 GLU C 59 22.015 28.503 7.495 1.00 0.00 H new ATOM 0 HB3 GLU C 59 23.501 27.694 7.036 1.00 0.00 H new ATOM 0 HG2 GLU C 59 22.209 26.024 5.712 1.00 0.00 H new ATOM 0 HG3 GLU C 59 20.704 26.772 6.208 1.00 0.00 H new ATOM 918 N MET C 60 24.231 25.128 8.250 1.00 0.00 N ATOM 919 CA MET C 60 24.950 23.894 7.964 1.00 0.00 C ATOM 920 C MET C 60 24.381 22.739 8.764 1.00 0.00 C ATOM 921 O MET C 60 24.137 21.661 8.222 1.00 0.00 O ATOM 922 CB MET C 60 26.436 24.057 8.302 1.00 0.00 C ATOM 923 CG MET C 60 27.178 24.715 7.136 1.00 0.00 C ATOM 924 SD MET C 60 28.922 24.956 7.581 1.00 0.00 S ATOM 925 CE MET C 60 29.485 23.241 7.397 1.00 0.00 C ATOM 0 H MET C 60 24.811 25.888 8.604 1.00 0.00 H new ATOM 0 HA MET C 60 24.837 23.678 6.902 1.00 0.00 H new ATOM 0 HB2 MET C 60 26.547 24.664 9.201 1.00 0.00 H new ATOM 0 HB3 MET C 60 26.876 23.083 8.518 1.00 0.00 H new ATOM 0 HG2 MET C 60 27.102 24.091 6.245 1.00 0.00 H new ATOM 0 HG3 MET C 60 26.718 25.673 6.894 1.00 0.00 H new ATOM 0 HE1 MET C 60 29.844 22.871 8.357 1.00 0.00 H new ATOM 0 HE2 MET C 60 28.656 22.621 7.056 1.00 0.00 H new ATOM 0 HE3 MET C 60 30.294 23.200 6.667 1.00 0.00 H new ATOM 935 N ILE C 61 24.163 22.960 10.047 1.00 0.00 N ATOM 936 CA ILE C 61 23.616 21.911 10.883 1.00 0.00 C ATOM 937 C ILE C 61 22.188 21.587 10.474 1.00 0.00 C ATOM 938 O ILE C 61 21.786 20.428 10.456 1.00 0.00 O ATOM 939 CB ILE C 61 23.648 22.318 12.342 1.00 0.00 C ATOM 940 CG1 ILE C 61 25.103 22.444 12.775 1.00 0.00 C ATOM 941 CG2 ILE C 61 22.956 21.232 13.167 1.00 0.00 C ATOM 942 CD1 ILE C 61 25.154 23.077 14.158 1.00 0.00 C ATOM 0 H ILE C 61 24.353 23.841 10.525 1.00 0.00 H new ATOM 0 HA ILE C 61 24.232 21.022 10.750 1.00 0.00 H new ATOM 0 HB ILE C 61 23.137 23.269 12.490 1.00 0.00 H new ATOM 0 HG12 ILE C 61 25.577 21.463 12.792 1.00 0.00 H new ATOM 0 HG13 ILE C 61 25.657 23.053 12.061 1.00 0.00 H new ATOM 0 HG21 ILE C 61 22.971 21.511 14.221 1.00 0.00 H new ATOM 0 HG22 ILE C 61 21.923 21.125 12.834 1.00 0.00 H new ATOM 0 HG23 ILE C 61 23.480 20.285 13.035 1.00 0.00 H new ATOM 0 HD11 ILE C 61 26.192 23.171 14.477 1.00 0.00 H new ATOM 0 HD12 ILE C 61 24.694 24.064 14.123 1.00 0.00 H new ATOM 0 HD13 ILE C 61 24.613 22.449 14.866 1.00 0.00 H new ATOM 954 N ASP C 62 21.421 22.626 10.159 1.00 0.00 N ATOM 955 CA ASP C 62 20.028 22.448 9.767 1.00 0.00 C ATOM 956 C ASP C 62 19.918 21.563 8.527 1.00 0.00 C ATOM 957 O ASP C 62 19.076 20.665 8.470 1.00 0.00 O ATOM 958 CB ASP C 62 19.397 23.811 9.474 1.00 0.00 C ATOM 959 CG ASP C 62 17.905 23.654 9.207 1.00 0.00 C ATOM 960 OD1 ASP C 62 17.450 22.523 9.151 1.00 0.00 O ATOM 961 OD2 ASP C 62 17.238 24.665 9.062 1.00 0.00 O1- ATOM 0 H ASP C 62 21.739 23.595 10.167 1.00 0.00 H new ATOM 0 HA ASP C 62 19.501 21.963 10.589 1.00 0.00 H new ATOM 0 HB2 ASP C 62 19.554 24.482 10.319 1.00 0.00 H new ATOM 0 HB3 ASP C 62 19.882 24.267 8.611 1.00 0.00 H new ATOM 966 N GLU C 63 20.764 21.822 7.534 1.00 0.00 N ATOM 967 CA GLU C 63 20.739 21.038 6.304 1.00 0.00 C ATOM 968 C GLU C 63 21.097 19.581 6.580 1.00 0.00 C ATOM 969 O GLU C 63 20.487 18.665 6.027 1.00 0.00 O ATOM 970 CB GLU C 63 21.728 21.624 5.294 1.00 0.00 C ATOM 971 CG GLU C 63 21.235 22.995 4.826 1.00 0.00 C ATOM 972 CD GLU C 63 20.001 22.834 3.946 1.00 0.00 C ATOM 973 OE1 GLU C 63 19.734 21.717 3.532 1.00 0.00 O ATOM 974 OE2 GLU C 63 19.341 23.829 3.696 1.00 0.00 O1- ATOM 0 H GLU C 63 21.468 22.560 7.556 1.00 0.00 H new ATOM 0 HA GLU C 63 19.729 21.077 5.895 1.00 0.00 H new ATOM 0 HB2 GLU C 63 22.714 21.717 5.748 1.00 0.00 H new ATOM 0 HB3 GLU C 63 21.832 20.953 4.441 1.00 0.00 H new ATOM 0 HG2 GLU C 63 20.998 23.619 5.688 1.00 0.00 H new ATOM 0 HG3 GLU C 63 22.023 23.504 4.271 1.00 0.00 H new ATOM 981 N VAL C 64 22.092 19.375 7.436 1.00 0.00 N ATOM 982 CA VAL C 64 22.532 18.026 7.780 1.00 0.00 C ATOM 983 C VAL C 64 21.590 17.391 8.797 1.00 0.00 C ATOM 984 O VAL C 64 21.381 16.178 8.798 1.00 0.00 O ATOM 985 CB VAL C 64 23.950 18.072 8.353 1.00 0.00 C ATOM 986 CG1 VAL C 64 24.374 16.666 8.778 1.00 0.00 C ATOM 987 CG2 VAL C 64 24.913 18.594 7.285 1.00 0.00 C ATOM 0 H VAL C 64 22.608 20.121 7.903 1.00 0.00 H new ATOM 0 HA VAL C 64 22.523 17.421 6.873 1.00 0.00 H new ATOM 0 HB VAL C 64 23.972 18.735 9.218 1.00 0.00 H new ATOM 0 HG11 VAL C 64 25.384 16.698 9.186 1.00 0.00 H new ATOM 0 HG12 VAL C 64 23.687 16.293 9.538 1.00 0.00 H new ATOM 0 HG13 VAL C 64 24.353 16.003 7.913 1.00 0.00 H new ATOM 0 HG21 VAL C 64 25.924 18.627 7.692 1.00 0.00 H new ATOM 0 HG22 VAL C 64 24.891 17.931 6.420 1.00 0.00 H new ATOM 0 HG23 VAL C 64 24.611 19.596 6.981 1.00 0.00 H new ATOM 997 N ASP C 65 21.032 18.224 9.670 1.00 0.00 N ATOM 998 CA ASP C 65 20.122 17.748 10.706 1.00 0.00 C ATOM 999 C ASP C 65 18.701 17.654 10.171 1.00 0.00 C ATOM 1000 O ASP C 65 18.080 18.663 9.838 1.00 0.00 O ATOM 1001 CB ASP C 65 20.148 18.697 11.898 1.00 0.00 C ATOM 1002 CG ASP C 65 19.395 18.080 13.069 1.00 0.00 C ATOM 1003 OD1 ASP C 65 19.126 16.893 13.013 1.00 0.00 O ATOM 1004 OD2 ASP C 65 19.104 18.803 14.008 1.00 0.00 O1- ATOM 0 H ASP C 65 21.194 19.231 9.681 1.00 0.00 H new ATOM 0 HA ASP C 65 20.450 16.756 11.018 1.00 0.00 H new ATOM 0 HB2 ASP C 65 21.179 18.905 12.186 1.00 0.00 H new ATOM 0 HB3 ASP C 65 19.695 19.650 11.625 1.00 0.00 H new ATOM 1009 N GLU C 66 18.195 16.433 10.087 1.00 0.00 N ATOM 1010 CA GLU C 66 16.852 16.207 9.586 1.00 0.00 C ATOM 1011 C GLU C 66 15.810 16.647 10.615 1.00 0.00 C ATOM 1012 O GLU C 66 14.746 17.155 10.256 1.00 0.00 O ATOM 1013 CB GLU C 66 16.670 14.725 9.263 1.00 0.00 C ATOM 1014 CG GLU C 66 15.876 14.590 7.967 1.00 0.00 C ATOM 1015 CD GLU C 66 16.762 14.968 6.783 1.00 0.00 C ATOM 1016 OE1 GLU C 66 17.895 14.515 6.750 1.00 0.00 O ATOM 1017 OE2 GLU C 66 16.299 15.710 5.934 1.00 0.00 O1- ATOM 0 H GLU C 66 18.695 15.586 10.359 1.00 0.00 H new ATOM 0 HA GLU C 66 16.712 16.798 8.681 1.00 0.00 H new ATOM 0 HB2 GLU C 66 17.641 14.240 9.161 1.00 0.00 H new ATOM 0 HB3 GLU C 66 16.148 14.224 10.078 1.00 0.00 H new ATOM 0 HG2 GLU C 66 15.517 13.567 7.854 1.00 0.00 H new ATOM 0 HG3 GLU C 66 14.998 15.235 7.998 1.00 0.00 H new ATOM 1024 N ASP C 67 16.120 16.442 11.895 1.00 0.00 N ATOM 1025 CA ASP C 67 15.197 16.817 12.962 1.00 0.00 C ATOM 1026 C ASP C 67 15.216 18.321 13.203 1.00 0.00 C ATOM 1027 O ASP C 67 14.342 18.858 13.884 1.00 0.00 O ATOM 1028 CB ASP C 67 15.569 16.083 14.251 1.00 0.00 C ATOM 1029 CG ASP C 67 17.085 16.018 14.392 1.00 0.00 C ATOM 1030 OD1 ASP C 67 17.658 16.983 14.868 1.00 0.00 O ATOM 1031 OD2 ASP C 67 17.652 15.004 14.020 1.00 0.00 O1- ATOM 0 H ASP C 67 16.993 16.023 12.214 1.00 0.00 H new ATOM 0 HA ASP C 67 14.190 16.533 12.656 1.00 0.00 H new ATOM 0 HB2 ASP C 67 15.137 16.597 15.110 1.00 0.00 H new ATOM 0 HB3 ASP C 67 15.153 15.076 14.239 1.00 0.00 H new ATOM 1036 N GLY C 68 16.201 18.998 12.632 1.00 0.00 N ATOM 1037 CA GLY C 68 16.298 20.442 12.790 1.00 0.00 C ATOM 1038 C GLY C 68 16.628 20.806 14.231 1.00 0.00 C ATOM 1039 O GLY C 68 16.399 21.936 14.663 1.00 0.00 O ATOM 0 H GLY C 68 16.936 18.578 12.062 1.00 0.00 H new ATOM 0 HA2 GLY C 68 17.068 20.834 12.125 1.00 0.00 H new ATOM 0 HA3 GLY C 68 15.357 20.909 12.498 1.00 0.00 H new ATOM 1043 N SER C 69 17.152 19.841 14.976 1.00 0.00 N ATOM 1044 CA SER C 69 17.491 20.079 16.375 1.00 0.00 C ATOM 1045 C SER C 69 18.533 21.190 16.502 1.00 0.00 C ATOM 1046 O SER C 69 18.641 21.826 17.548 1.00 0.00 O ATOM 1047 CB SER C 69 18.029 18.799 17.017 1.00 0.00 C ATOM 1048 OG SER C 69 19.229 18.411 16.359 1.00 0.00 O ATOM 0 H SER C 69 17.350 18.898 14.642 1.00 0.00 H new ATOM 0 HA SER C 69 16.583 20.389 16.892 1.00 0.00 H new ATOM 0 HB2 SER C 69 18.219 18.963 18.078 1.00 0.00 H new ATOM 0 HB3 SER C 69 17.288 18.003 16.945 1.00 0.00 H new ATOM 0 HG SER C 69 19.019 18.094 15.456 1.00 0.00 H new ATOM 1054 N GLY C 70 19.295 21.424 15.434 1.00 0.00 N ATOM 1055 CA GLY C 70 20.314 22.466 15.457 1.00 0.00 C ATOM 1056 C GLY C 70 21.625 21.938 16.030 1.00 0.00 C ATOM 1057 O GLY C 70 22.591 22.684 16.182 1.00 0.00 O ATOM 0 H GLY C 70 19.226 20.912 14.554 1.00 0.00 H new ATOM 0 HA2 GLY C 70 20.479 22.840 14.447 1.00 0.00 H new ATOM 0 HA3 GLY C 70 19.965 23.308 16.055 1.00 0.00 H new ATOM 1061 N THR C 71 21.647 20.647 16.349 1.00 0.00 N ATOM 1062 CA THR C 71 22.844 20.025 16.908 1.00 0.00 C ATOM 1063 C THR C 71 23.139 18.703 16.206 1.00 0.00 C ATOM 1064 O THR C 71 22.279 18.149 15.521 1.00 0.00 O ATOM 1065 CB THR C 71 22.651 19.778 18.403 1.00 0.00 C ATOM 1066 OG1 THR C 71 21.611 18.829 18.594 1.00 0.00 O ATOM 1067 CG2 THR C 71 22.278 21.091 19.091 1.00 0.00 C ATOM 0 H THR C 71 20.855 20.015 16.231 1.00 0.00 H new ATOM 0 HA THR C 71 23.687 20.699 16.756 1.00 0.00 H new ATOM 0 HB THR C 71 23.576 19.394 18.832 1.00 0.00 H new ATOM 0 HG1 THR C 71 21.487 18.668 19.553 1.00 0.00 H new ATOM 0 HG21 THR C 71 22.140 20.916 20.158 1.00 0.00 H new ATOM 0 HG22 THR C 71 23.076 21.819 18.943 1.00 0.00 H new ATOM 0 HG23 THR C 71 21.352 21.475 18.664 1.00 0.00 H new ATOM 1075 N VAL C 72 24.361 18.201 16.388 1.00 0.00 N ATOM 1076 CA VAL C 72 24.764 16.938 15.774 1.00 0.00 C ATOM 1077 C VAL C 72 25.120 15.913 16.849 1.00 0.00 C ATOM 1078 O VAL C 72 25.987 16.152 17.690 1.00 0.00 O ATOM 1079 CB VAL C 72 25.965 17.164 14.849 1.00 0.00 C ATOM 1080 CG1 VAL C 72 26.434 15.831 14.264 1.00 0.00 C ATOM 1081 CG2 VAL C 72 25.557 18.094 13.703 1.00 0.00 C ATOM 0 H VAL C 72 25.084 18.647 16.952 1.00 0.00 H new ATOM 0 HA VAL C 72 23.929 16.554 15.188 1.00 0.00 H new ATOM 0 HB VAL C 72 26.775 17.613 15.424 1.00 0.00 H new ATOM 0 HG11 VAL C 72 27.288 16.002 13.608 1.00 0.00 H new ATOM 0 HG12 VAL C 72 26.726 15.161 15.073 1.00 0.00 H new ATOM 0 HG13 VAL C 72 25.623 15.379 13.693 1.00 0.00 H new ATOM 0 HG21 VAL C 72 26.410 18.256 13.044 1.00 0.00 H new ATOM 0 HG22 VAL C 72 24.743 17.640 13.138 1.00 0.00 H new ATOM 0 HG23 VAL C 72 25.227 19.050 14.110 1.00 0.00 H new ATOM 1091 N ASP C 73 24.437 14.770 16.811 1.00 0.00 N ATOM 1092 CA ASP C 73 24.676 13.706 17.781 1.00 0.00 C ATOM 1093 C ASP C 73 25.560 12.625 17.171 1.00 0.00 C ATOM 1094 O ASP C 73 26.063 12.777 16.061 1.00 0.00 O ATOM 1095 CB ASP C 73 23.344 13.094 18.225 1.00 0.00 C ATOM 1096 CG ASP C 73 23.522 12.316 19.527 1.00 0.00 C ATOM 1097 OD1 ASP C 73 24.509 12.543 20.207 1.00 0.00 O ATOM 1098 OD2 ASP C 73 22.662 11.501 19.826 1.00 0.00 O1- ATOM 0 H ASP C 73 23.716 14.559 16.121 1.00 0.00 H new ATOM 0 HA ASP C 73 25.183 14.131 18.647 1.00 0.00 H new ATOM 0 HB2 ASP C 73 22.603 13.881 18.363 1.00 0.00 H new ATOM 0 HB3 ASP C 73 22.964 12.432 17.447 1.00 0.00 H new ATOM 1103 N PHE C 74 25.748 11.535 17.906 1.00 0.00 N ATOM 1104 CA PHE C 74 26.579 10.435 17.431 1.00 0.00 C ATOM 1105 C PHE C 74 26.045 9.867 16.118 1.00 0.00 C ATOM 1106 O PHE C 74 26.795 9.682 15.160 1.00 0.00 O ATOM 1107 CB PHE C 74 26.616 9.333 18.490 1.00 0.00 C ATOM 1108 CG PHE C 74 27.403 8.163 17.967 1.00 0.00 C ATOM 1109 CD1 PHE C 74 28.796 8.239 17.895 1.00 0.00 C ATOM 1110 CD2 PHE C 74 26.741 7.000 17.556 1.00 0.00 C ATOM 1111 CE1 PHE C 74 29.532 7.152 17.410 1.00 0.00 C ATOM 1112 CE2 PHE C 74 27.476 5.912 17.071 1.00 0.00 C ATOM 1113 CZ PHE C 74 28.872 5.988 16.999 1.00 0.00 C ATOM 0 H PHE C 74 25.338 11.389 18.829 1.00 0.00 H new ATOM 0 HA PHE C 74 27.585 10.815 17.253 1.00 0.00 H new ATOM 0 HB2 PHE C 74 27.070 9.710 19.407 1.00 0.00 H new ATOM 0 HB3 PHE C 74 25.602 9.020 18.741 1.00 0.00 H new ATOM 0 HD1 PHE C 74 29.305 9.137 18.214 1.00 0.00 H new ATOM 0 HD2 PHE C 74 25.664 6.942 17.613 1.00 0.00 H new ATOM 0 HE1 PHE C 74 30.609 7.211 17.353 1.00 0.00 H new ATOM 0 HE2 PHE C 74 26.967 5.015 16.753 1.00 0.00 H new ATOM 0 HZ PHE C 74 29.440 5.148 16.626 1.00 0.00 H new ATOM 1123 N ASP C 75 24.749 9.587 16.084 1.00 0.00 N ATOM 1124 CA ASP C 75 24.122 9.040 14.886 1.00 0.00 C ATOM 1125 C ASP C 75 24.238 10.028 13.730 1.00 0.00 C ATOM 1126 O ASP C 75 24.582 9.654 12.609 1.00 0.00 O ATOM 1127 CB ASP C 75 22.646 8.760 15.166 1.00 0.00 C ATOM 1128 CG ASP C 75 22.511 7.581 16.123 1.00 0.00 C ATOM 1129 OD1 ASP C 75 23.475 6.851 16.275 1.00 0.00 O ATOM 1130 OD2 ASP C 75 21.445 7.431 16.697 1.00 0.00 O1- ATOM 0 H ASP C 75 24.113 9.729 16.868 1.00 0.00 H new ATOM 0 HA ASP C 75 24.629 8.114 14.614 1.00 0.00 H new ATOM 0 HB2 ASP C 75 22.175 9.644 15.596 1.00 0.00 H new ATOM 0 HB3 ASP C 75 22.125 8.543 14.233 1.00 0.00 H new ATOM 1135 N GLU C 76 23.962 11.296 14.020 1.00 0.00 N ATOM 1136 CA GLU C 76 24.055 12.338 13.003 1.00 0.00 C ATOM 1137 C GLU C 76 25.510 12.551 12.609 1.00 0.00 C ATOM 1138 O GLU C 76 25.824 12.794 11.445 1.00 0.00 O ATOM 1139 CB GLU C 76 23.443 13.647 13.512 1.00 0.00 C ATOM 1140 CG GLU C 76 21.925 13.479 13.632 1.00 0.00 C ATOM 1141 CD GLU C 76 21.273 14.804 14.018 1.00 0.00 C ATOM 1142 OE1 GLU C 76 21.992 15.779 14.161 1.00 0.00 O ATOM 1143 OE2 GLU C 76 20.061 14.824 14.166 1.00 0.00 O1- ATOM 0 H GLU C 76 23.675 11.625 14.942 1.00 0.00 H new ATOM 0 HA GLU C 76 23.494 12.019 12.125 1.00 0.00 H new ATOM 0 HB2 GLU C 76 23.870 13.910 14.480 1.00 0.00 H new ATOM 0 HB3 GLU C 76 23.678 14.463 12.828 1.00 0.00 H new ATOM 0 HG2 GLU C 76 21.516 13.127 12.685 1.00 0.00 H new ATOM 0 HG3 GLU C 76 21.694 12.721 14.381 1.00 0.00 H new ATOM 1150 N PHE C 77 26.401 12.441 13.590 1.00 0.00 N ATOM 1151 CA PHE C 77 27.824 12.611 13.339 1.00 0.00 C ATOM 1152 C PHE C 77 28.298 11.626 12.282 1.00 0.00 C ATOM 1153 O PHE C 77 28.982 12.010 11.332 1.00 0.00 O ATOM 1154 CB PHE C 77 28.610 12.402 14.632 1.00 0.00 C ATOM 1155 CG PHE C 77 30.083 12.291 14.313 1.00 0.00 C ATOM 1156 CD1 PHE C 77 30.784 13.401 13.829 1.00 0.00 C ATOM 1157 CD2 PHE C 77 30.748 11.072 14.506 1.00 0.00 C ATOM 1158 CE1 PHE C 77 32.150 13.294 13.536 1.00 0.00 C ATOM 1159 CE2 PHE C 77 32.111 10.965 14.214 1.00 0.00 C ATOM 1160 CZ PHE C 77 32.814 12.076 13.728 1.00 0.00 C ATOM 0 H PHE C 77 26.162 12.236 14.560 1.00 0.00 H new ATOM 0 HA PHE C 77 27.995 13.624 12.975 1.00 0.00 H new ATOM 0 HB2 PHE C 77 28.436 13.234 15.314 1.00 0.00 H new ATOM 0 HB3 PHE C 77 28.267 11.499 15.137 1.00 0.00 H new ATOM 0 HD1 PHE C 77 30.272 14.340 13.681 1.00 0.00 H new ATOM 0 HD2 PHE C 77 30.207 10.215 14.880 1.00 0.00 H new ATOM 0 HE1 PHE C 77 32.691 14.151 13.162 1.00 0.00 H new ATOM 0 HE2 PHE C 77 32.623 10.026 14.363 1.00 0.00 H new ATOM 0 HZ PHE C 77 33.867 11.993 13.502 1.00 0.00 H new ATOM 1170 N LEU C 78 27.930 10.360 12.435 1.00 0.00 N ATOM 1171 CA LEU C 78 28.335 9.359 11.453 1.00 0.00 C ATOM 1172 C LEU C 78 27.752 9.693 10.081 1.00 0.00 C ATOM 1173 O LEU C 78 28.431 9.564 9.062 1.00 0.00 O ATOM 1174 CB LEU C 78 27.881 7.970 11.897 1.00 0.00 C ATOM 1175 CG LEU C 78 28.820 7.451 12.991 1.00 0.00 C ATOM 1176 CD1 LEU C 78 28.126 6.338 13.769 1.00 0.00 C ATOM 1177 CD2 LEU C 78 30.099 6.882 12.358 1.00 0.00 C ATOM 0 H LEU C 78 27.366 10.007 13.208 1.00 0.00 H new ATOM 0 HA LEU C 78 29.422 9.365 11.379 1.00 0.00 H new ATOM 0 HB2 LEU C 78 26.858 8.012 12.271 1.00 0.00 H new ATOM 0 HB3 LEU C 78 27.882 7.287 11.048 1.00 0.00 H new ATOM 0 HG LEU C 78 29.075 8.275 13.657 1.00 0.00 H new ATOM 0 HD11 LEU C 78 28.793 5.968 14.548 1.00 0.00 H new ATOM 0 HD12 LEU C 78 27.216 6.726 14.225 1.00 0.00 H new ATOM 0 HD13 LEU C 78 27.873 5.523 13.091 1.00 0.00 H new ATOM 0 HD21 LEU C 78 30.761 6.515 13.142 1.00 0.00 H new ATOM 0 HD22 LEU C 78 29.840 6.062 11.689 1.00 0.00 H new ATOM 0 HD23 LEU C 78 30.605 7.665 11.793 1.00 0.00 H new ATOM 1189 N VAL C 79 26.498 10.137 10.064 1.00 0.00 N ATOM 1190 CA VAL C 79 25.834 10.505 8.814 1.00 0.00 C ATOM 1191 C VAL C 79 26.461 11.754 8.206 1.00 0.00 C ATOM 1192 O VAL C 79 26.517 11.902 6.986 1.00 0.00 O ATOM 1193 CB VAL C 79 24.337 10.730 9.074 1.00 0.00 C ATOM 1194 CG1 VAL C 79 23.776 11.792 8.124 1.00 0.00 C ATOM 1195 CG2 VAL C 79 23.589 9.420 8.835 1.00 0.00 C ATOM 0 H VAL C 79 25.922 10.251 10.898 1.00 0.00 H new ATOM 0 HA VAL C 79 25.959 9.690 8.101 1.00 0.00 H new ATOM 0 HB VAL C 79 24.208 11.068 10.102 1.00 0.00 H new ATOM 0 HG11 VAL C 79 22.714 11.936 8.325 1.00 0.00 H new ATOM 0 HG12 VAL C 79 24.305 12.733 8.277 1.00 0.00 H new ATOM 0 HG13 VAL C 79 23.909 11.464 7.093 1.00 0.00 H new ATOM 0 HG21 VAL C 79 22.525 9.570 9.017 1.00 0.00 H new ATOM 0 HG22 VAL C 79 23.739 9.098 7.804 1.00 0.00 H new ATOM 0 HG23 VAL C 79 23.969 8.655 9.513 1.00 0.00 H new ATOM 1205 N MET C 80 26.935 12.645 9.061 1.00 0.00 N ATOM 1206 CA MET C 80 27.553 13.878 8.602 1.00 0.00 C ATOM 1207 C MET C 80 28.808 13.576 7.801 1.00 0.00 C ATOM 1208 O MET C 80 29.087 14.223 6.792 1.00 0.00 O ATOM 1209 CB MET C 80 27.895 14.762 9.801 1.00 0.00 C ATOM 1210 CG MET C 80 28.961 15.783 9.404 1.00 0.00 C ATOM 1211 SD MET C 80 28.976 17.132 10.611 1.00 0.00 S ATOM 1212 CE MET C 80 30.739 17.066 11.008 1.00 0.00 C ATOM 0 H MET C 80 26.904 12.538 10.075 1.00 0.00 H new ATOM 0 HA MET C 80 26.850 14.405 7.957 1.00 0.00 H new ATOM 0 HB2 MET C 80 27.000 15.275 10.153 1.00 0.00 H new ATOM 0 HB3 MET C 80 28.256 14.148 10.626 1.00 0.00 H new ATOM 0 HG2 MET C 80 29.940 15.306 9.362 1.00 0.00 H new ATOM 0 HG3 MET C 80 28.754 16.173 8.408 1.00 0.00 H new ATOM 0 HE1 MET C 80 30.974 17.830 11.750 1.00 0.00 H new ATOM 0 HE2 MET C 80 30.985 16.083 11.409 1.00 0.00 H new ATOM 0 HE3 MET C 80 31.322 17.246 10.105 1.00 0.00 H new ATOM 1222 N MET C 81 29.561 12.589 8.260 1.00 0.00 N ATOM 1223 CA MET C 81 30.793 12.210 7.577 1.00 0.00 C ATOM 1224 C MET C 81 30.505 11.318 6.375 1.00 0.00 C ATOM 1225 O MET C 81 31.109 11.477 5.312 1.00 0.00 O ATOM 1226 CB MET C 81 31.720 11.477 8.544 1.00 0.00 C ATOM 1227 CG MET C 81 32.962 12.329 8.824 1.00 0.00 C ATOM 1228 SD MET C 81 34.137 11.369 9.817 1.00 0.00 S ATOM 1229 CE MET C 81 34.593 10.148 8.555 1.00 0.00 C ATOM 0 H MET C 81 29.347 12.040 9.092 1.00 0.00 H new ATOM 0 HA MET C 81 31.275 13.121 7.223 1.00 0.00 H new ATOM 0 HB2 MET C 81 31.195 11.267 9.476 1.00 0.00 H new ATOM 0 HB3 MET C 81 32.015 10.517 8.121 1.00 0.00 H new ATOM 0 HG2 MET C 81 33.426 12.635 7.886 1.00 0.00 H new ATOM 0 HG3 MET C 81 32.681 13.240 9.353 1.00 0.00 H new ATOM 0 HE1 MET C 81 35.653 9.909 8.646 1.00 0.00 H new ATOM 0 HE2 MET C 81 34.003 9.242 8.695 1.00 0.00 H new ATOM 0 HE3 MET C 81 34.398 10.558 7.564 1.00 0.00 H new ATOM 1239 N VAL C 82 29.588 10.377 6.551 1.00 0.00 N ATOM 1240 CA VAL C 82 29.233 9.463 5.475 1.00 0.00 C ATOM 1241 C VAL C 82 28.664 10.232 4.289 1.00 0.00 C ATOM 1242 O VAL C 82 28.963 9.922 3.138 1.00 0.00 O ATOM 1243 CB VAL C 82 28.214 8.437 5.971 1.00 0.00 C ATOM 1244 CG1 VAL C 82 27.673 7.643 4.783 1.00 0.00 C ATOM 1245 CG2 VAL C 82 28.897 7.480 6.953 1.00 0.00 C ATOM 0 H VAL C 82 29.080 10.227 7.422 1.00 0.00 H new ATOM 0 HA VAL C 82 30.134 8.941 5.152 1.00 0.00 H new ATOM 0 HB VAL C 82 27.392 8.950 6.471 1.00 0.00 H new ATOM 0 HG11 VAL C 82 26.946 6.911 5.135 1.00 0.00 H new ATOM 0 HG12 VAL C 82 27.192 8.323 4.080 1.00 0.00 H new ATOM 0 HG13 VAL C 82 28.495 7.128 4.285 1.00 0.00 H new ATOM 0 HG21 VAL C 82 28.173 6.747 7.309 1.00 0.00 H new ATOM 0 HG22 VAL C 82 29.717 6.967 6.450 1.00 0.00 H new ATOM 0 HG23 VAL C 82 29.288 8.045 7.799 1.00 0.00 H new ATOM 1255 N ARG C 83 27.838 11.231 4.580 1.00 0.00 N ATOM 1256 CA ARG C 83 27.226 12.034 3.531 1.00 0.00 C ATOM 1257 C ARG C 83 28.301 12.673 2.658 1.00 0.00 C ATOM 1258 O ARG C 83 28.200 12.654 1.432 1.00 0.00 O ATOM 1259 CB ARG C 83 26.375 13.141 4.166 1.00 0.00 C ATOM 1260 CG ARG C 83 25.576 13.881 3.088 1.00 0.00 C ATOM 1261 CD ARG C 83 24.128 13.393 3.104 1.00 0.00 C ATOM 1262 NE ARG C 83 23.396 13.967 1.981 1.00 0.00 N ATOM 1263 CZ ARG C 83 23.483 13.439 0.765 1.00 0.00 C ATOM 1264 NH1 ARG C 83 24.234 12.392 0.562 1.00 0.00 N ATOM 1265 NH2 ARG C 83 22.822 13.970 -0.226 1.00 0.00 N1+ ATOM 0 H ARG C 83 27.579 11.502 5.528 1.00 0.00 H new ATOM 0 HA ARG C 83 26.601 11.388 2.915 1.00 0.00 H new ATOM 0 HB2 ARG C 83 25.695 12.710 4.901 1.00 0.00 H new ATOM 0 HB3 ARG C 83 27.017 13.843 4.699 1.00 0.00 H new ATOM 0 HG2 ARG C 83 25.611 14.956 3.267 1.00 0.00 H new ATOM 0 HG3 ARG C 83 26.019 13.707 2.108 1.00 0.00 H new ATOM 0 HD2 ARG C 83 24.102 12.305 3.048 1.00 0.00 H new ATOM 0 HD3 ARG C 83 23.651 13.675 4.042 1.00 0.00 H new ATOM 0 HE ARG C 83 22.808 14.787 2.131 1.00 0.00 H new ATOM 0 HH11 ARG C 83 24.754 11.979 1.337 1.00 0.00 H new ATOM 0 HH12 ARG C 83 24.301 11.986 -0.371 1.00 0.00 H new ATOM 0 HH21 ARG C 83 22.238 14.791 -0.068 1.00 0.00 H new ATOM 0 HH22 ARG C 83 22.889 13.564 -1.159 1.00 0.00 H new ATOM 1279 N CYS C 84 29.320 13.247 3.283 1.00 0.00 N ATOM 1280 CA CYS C 84 30.379 13.893 2.523 1.00 0.00 C ATOM 1281 C CYS C 84 31.087 12.895 1.614 1.00 0.00 C ATOM 1282 O CYS C 84 31.316 13.175 0.436 1.00 0.00 O ATOM 1283 CB CYS C 84 31.403 14.521 3.474 1.00 0.00 C ATOM 1284 SG CYS C 84 30.660 15.942 4.312 1.00 0.00 S ATOM 0 H CYS C 84 29.435 13.279 4.296 1.00 0.00 H new ATOM 0 HA CYS C 84 29.923 14.669 1.907 1.00 0.00 H new ATOM 0 HB2 CYS C 84 31.733 13.785 4.207 1.00 0.00 H new ATOM 0 HB3 CYS C 84 32.286 14.835 2.918 1.00 0.00 H new ATOM 0 HG CYS C 84 29.975 15.531 5.338 1.00 0.00 H new ATOM 1290 N MET C 85 31.433 11.733 2.159 1.00 0.00 N ATOM 1291 CA MET C 85 32.116 10.714 1.368 1.00 0.00 C ATOM 1292 C MET C 85 31.186 10.113 0.321 1.00 0.00 C ATOM 1293 O MET C 85 31.580 9.901 -0.826 1.00 0.00 O ATOM 1294 CB MET C 85 32.640 9.606 2.284 1.00 0.00 C ATOM 1295 CG MET C 85 33.801 10.144 3.125 1.00 0.00 C ATOM 1296 SD MET C 85 34.408 8.839 4.224 1.00 0.00 S ATOM 1297 CE MET C 85 35.857 9.719 4.859 1.00 0.00 C ATOM 0 H MET C 85 31.256 11.475 3.130 1.00 0.00 H new ATOM 0 HA MET C 85 32.950 11.191 0.854 1.00 0.00 H new ATOM 0 HB2 MET C 85 31.841 9.249 2.934 1.00 0.00 H new ATOM 0 HB3 MET C 85 32.972 8.755 1.690 1.00 0.00 H new ATOM 0 HG2 MET C 85 34.605 10.490 2.475 1.00 0.00 H new ATOM 0 HG3 MET C 85 33.472 11.003 3.710 1.00 0.00 H new ATOM 0 HE1 MET C 85 36.387 9.083 5.568 1.00 0.00 H new ATOM 0 HE2 MET C 85 36.520 9.972 4.032 1.00 0.00 H new ATOM 0 HE3 MET C 85 35.537 10.633 5.360 1.00 0.00 H new ATOM 1307 N LYS C 86 29.951 9.842 0.723 1.00 0.00 N ATOM 1308 CA LYS C 86 28.971 9.271 -0.176 1.00 0.00 C ATOM 1309 C LYS C 86 28.588 10.265 -1.264 1.00 0.00 C ATOM 1310 O LYS C 86 28.445 9.901 -2.431 1.00 0.00 O ATOM 1311 CB LYS C 86 27.738 8.851 0.621 1.00 0.00 C ATOM 1312 CG LYS C 86 26.707 8.247 -0.327 1.00 0.00 C ATOM 1313 CD LYS C 86 25.870 7.200 0.415 1.00 0.00 C ATOM 1314 CE LYS C 86 26.576 5.841 0.342 1.00 0.00 C ATOM 1315 NZ LYS C 86 25.845 4.849 1.181 1.00 0.00 N1+ ATOM 0 H LYS C 86 29.609 10.011 1.669 1.00 0.00 H new ATOM 0 HA LYS C 86 29.404 8.396 -0.661 1.00 0.00 H new ATOM 0 HB2 LYS C 86 28.015 8.125 1.386 1.00 0.00 H new ATOM 0 HB3 LYS C 86 27.314 9.712 1.137 1.00 0.00 H new ATOM 0 HG2 LYS C 86 26.060 9.030 -0.722 1.00 0.00 H new ATOM 0 HG3 LYS C 86 27.208 7.788 -1.179 1.00 0.00 H new ATOM 0 HD2 LYS C 86 25.735 7.497 1.455 1.00 0.00 H new ATOM 0 HD3 LYS C 86 24.877 7.131 -0.029 1.00 0.00 H new ATOM 0 HE2 LYS C 86 26.618 5.497 -0.691 1.00 0.00 H new ATOM 0 HE3 LYS C 86 27.605 5.936 0.688 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 26.326 3.929 1.129 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 25.827 5.175 2.168 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 24.870 4.750 0.832 1.00 0.00 H new ATOM 1508 N ALA I 152 41.731 18.214 4.550 1.00 0.00 N ATOM 1509 CA ALA I 152 42.634 19.042 5.347 1.00 0.00 C ATOM 1510 C ALA I 152 42.212 19.047 6.815 1.00 0.00 C ATOM 1511 O ALA I 152 43.049 18.999 7.719 1.00 0.00 O ATOM 1512 CB ALA I 152 42.644 20.475 4.811 1.00 0.00 C ATOM 0 HA ALA I 152 43.636 18.620 5.273 1.00 0.00 H new ATOM 0 HB1 ALA I 152 43.320 21.084 5.412 1.00 0.00 H new ATOM 0 HB2 ALA I 152 42.982 20.473 3.775 1.00 0.00 H new ATOM 0 HB3 ALA I 152 41.638 20.890 4.864 1.00 0.00 H new ATOM 1518 N MET I 153 40.905 19.112 7.045 1.00 0.00 N ATOM 1519 CA MET I 153 40.376 19.131 8.404 1.00 0.00 C ATOM 1520 C MET I 153 40.750 17.855 9.159 1.00 0.00 C ATOM 1521 O MET I 153 41.132 17.907 10.329 1.00 0.00 O ATOM 1522 CB MET I 153 38.854 19.303 8.368 1.00 0.00 C ATOM 1523 CG MET I 153 38.304 19.322 9.797 1.00 0.00 C ATOM 1524 SD MET I 153 36.592 19.918 9.783 1.00 0.00 S ATOM 1525 CE MET I 153 35.852 18.539 8.878 1.00 0.00 C ATOM 0 H MET I 153 40.196 19.152 6.313 1.00 0.00 H new ATOM 0 HA MET I 153 40.819 19.975 8.934 1.00 0.00 H new ATOM 0 HB2 MET I 153 38.595 20.230 7.856 1.00 0.00 H new ATOM 0 HB3 MET I 153 38.399 18.489 7.804 1.00 0.00 H new ATOM 0 HG2 MET I 153 38.348 18.322 10.227 1.00 0.00 H new ATOM 0 HG3 MET I 153 38.919 19.966 10.425 1.00 0.00 H new ATOM 0 HE1 MET I 153 34.773 18.540 9.031 1.00 0.00 H new ATOM 0 HE2 MET I 153 36.068 18.644 7.815 1.00 0.00 H new ATOM 0 HE3 MET I 153 36.269 17.600 9.242 1.00 0.00 H new ATOM 1535 N MET I 154 40.631 16.716 8.484 1.00 0.00 N ATOM 1536 CA MET I 154 40.953 15.428 9.095 1.00 0.00 C ATOM 1537 C MET I 154 42.424 15.368 9.494 1.00 0.00 C ATOM 1538 O MET I 154 42.772 14.839 10.558 1.00 0.00 O ATOM 1539 CB MET I 154 40.660 14.303 8.098 1.00 0.00 C ATOM 1540 CG MET I 154 40.813 12.935 8.776 1.00 0.00 C ATOM 1541 SD MET I 154 39.550 12.754 10.062 1.00 0.00 S ATOM 1542 CE MET I 154 38.105 12.694 8.969 1.00 0.00 C ATOM 0 H MET I 154 40.315 16.657 7.516 1.00 0.00 H new ATOM 0 HA MET I 154 40.341 15.309 9.989 1.00 0.00 H new ATOM 0 HB2 MET I 154 39.649 14.410 7.705 1.00 0.00 H new ATOM 0 HB3 MET I 154 41.341 14.374 7.250 1.00 0.00 H new ATOM 0 HG2 MET I 154 40.713 12.139 8.039 1.00 0.00 H new ATOM 0 HG3 MET I 154 41.808 12.843 9.212 1.00 0.00 H new ATOM 0 HE1 MET I 154 37.425 11.912 9.308 1.00 0.00 H new ATOM 0 HE2 MET I 154 37.592 13.656 8.991 1.00 0.00 H new ATOM 0 HE3 MET I 154 38.428 12.478 7.951 1.00 0.00 H new ATOM 1552 N GLN I 155 43.282 15.900 8.629 1.00 0.00 N ATOM 1553 CA GLN I 155 44.714 15.892 8.887 1.00 0.00 C ATOM 1554 C GLN I 155 45.026 16.622 10.178 1.00 0.00 C ATOM 1555 O GLN I 155 45.837 16.165 10.980 1.00 0.00 O ATOM 1556 CB GLN I 155 45.464 16.550 7.724 1.00 0.00 C ATOM 1557 CG GLN I 155 46.967 16.550 8.017 1.00 0.00 C ATOM 1558 CD GLN I 155 47.747 16.923 6.759 1.00 0.00 C ATOM 1559 OE1 GLN I 155 47.773 16.157 5.797 1.00 0.00 O ATOM 1560 NE2 GLN I 155 48.385 18.060 6.707 1.00 0.00 N ATOM 0 H GLN I 155 43.011 16.339 7.749 1.00 0.00 H new ATOM 0 HA GLN I 155 45.040 14.856 8.982 1.00 0.00 H new ATOM 0 HB2 GLN I 155 45.264 16.011 6.798 1.00 0.00 H new ATOM 0 HB3 GLN I 155 45.111 17.571 7.582 1.00 0.00 H new ATOM 0 HG2 GLN I 155 47.190 17.258 8.815 1.00 0.00 H new ATOM 0 HG3 GLN I 155 47.277 15.566 8.368 1.00 0.00 H new ATOM 0 HE21 GLN I 155 48.363 18.694 7.505 1.00 0.00 H new ATOM 0 HE22 GLN I 155 48.906 18.314 5.868 1.00 0.00 H new ATOM 1569 N ALA I 156 44.392 17.758 10.378 1.00 0.00 N ATOM 1570 CA ALA I 156 44.636 18.516 11.589 1.00 0.00 C ATOM 1571 C ALA I 156 44.211 17.723 12.826 1.00 0.00 C ATOM 1572 O ALA I 156 44.996 17.536 13.760 1.00 0.00 O ATOM 1573 CB ALA I 156 43.839 19.822 11.539 1.00 0.00 C ATOM 0 H ALA I 156 43.718 18.171 9.734 1.00 0.00 H new ATOM 0 HA ALA I 156 45.704 18.724 11.655 1.00 0.00 H new ATOM 0 HB1 ALA I 156 44.021 20.394 12.449 1.00 0.00 H new ATOM 0 HB2 ALA I 156 44.152 20.407 10.674 1.00 0.00 H new ATOM 0 HB3 ALA I 156 42.776 19.596 11.459 1.00 0.00 H new