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 176:sc=-0.00162 (180deg=-0.0246) USER MOD Set 1.2: I 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: C 69 SER OG : rot -73:sc= 2.16 USER MOD Set 2.2: C 71 THR OG1 : rot -22:sc= -0.0594 USER MOD Set 3.1: C 13 THR OG1 : rot -85:sc= -0.104 USER MOD Set 3.2: C 16 GLN : amide:sc= 0.784 K(o=0.68,f=-0.18) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 17 LYS NZ :NH3+ -146:sc= -1.58! (180deg=-2.8!) USER MOD Single : C 18 ASN : amide:sc= -1.88! C(o=-1.9!,f=-3.1!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 180:sc= 0 USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.298) USER MOD Single : C 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 47 MET CE :methyl -171:sc= 0 (180deg=-0.0376) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : C 51 ASN : amide:sc= -0.549 K(o=-0.55,f=-8.4!) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.293 USER MOD Single : C 58 GLN : amide:sc= -2.76! C(o=-2.8!,f=-6!) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 80 MET CE :methyl -137:sc= 0 (180deg=-0.0861) USER MOD Single : C 84 CYS SG : rot 70:sc= 0.429 USER MOD Single : C 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 86 LYS NZ :NH3+ 165:sc=-0.00842 (180deg=-0.365) USER MOD Single : I 153 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 155 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 106 N ALA C 7 23.396 0.008 7.068 1.00 0.00 N ATOM 107 CA ALA C 7 24.227 -1.035 6.478 1.00 0.00 C ATOM 108 C ALA C 7 25.680 -0.586 6.410 1.00 0.00 C ATOM 109 O ALA C 7 26.592 -1.372 6.682 1.00 0.00 O ATOM 110 CB ALA C 7 23.724 -1.369 5.071 1.00 0.00 C ATOM 0 HA ALA C 7 24.164 -1.924 7.105 1.00 0.00 H new ATOM 0 HB1 ALA C 7 24.350 -2.149 4.637 1.00 0.00 H new ATOM 0 HB2 ALA C 7 22.693 -1.720 5.127 1.00 0.00 H new ATOM 0 HB3 ALA C 7 23.770 -0.477 4.447 1.00 0.00 H new ATOM 116 N ALA C 8 25.889 0.684 6.062 1.00 0.00 N ATOM 117 CA ALA C 8 27.243 1.223 5.972 1.00 0.00 C ATOM 118 C ALA C 8 27.901 1.245 7.346 1.00 0.00 C ATOM 119 O ALA C 8 29.073 0.899 7.491 1.00 0.00 O ATOM 120 CB ALA C 8 27.203 2.635 5.392 1.00 0.00 C ATOM 0 H ALA C 8 25.148 1.350 5.841 1.00 0.00 H new ATOM 0 HA ALA C 8 27.830 0.581 5.315 1.00 0.00 H new ATOM 0 HB1 ALA C 8 28.217 3.031 5.328 1.00 0.00 H new ATOM 0 HB2 ALA C 8 26.761 2.607 4.396 1.00 0.00 H new ATOM 0 HB3 ALA C 8 26.603 3.277 6.037 1.00 0.00 H new ATOM 126 N VAL C 9 27.132 1.643 8.352 1.00 0.00 N ATOM 127 CA VAL C 9 27.638 1.692 9.716 1.00 0.00 C ATOM 128 C VAL C 9 27.876 0.282 10.254 1.00 0.00 C ATOM 129 O VAL C 9 28.885 0.019 10.905 1.00 0.00 O ATOM 130 CB VAL C 9 26.645 2.427 10.613 1.00 0.00 C ATOM 131 CG1 VAL C 9 27.052 2.251 12.083 1.00 0.00 C ATOM 132 CG2 VAL C 9 26.654 3.920 10.268 1.00 0.00 C ATOM 0 H VAL C 9 26.160 1.935 8.249 1.00 0.00 H new ATOM 0 HA VAL C 9 28.587 2.228 9.713 1.00 0.00 H new ATOM 0 HB VAL C 9 25.647 2.017 10.456 1.00 0.00 H new ATOM 0 HG11 VAL C 9 26.342 2.776 12.722 1.00 0.00 H new ATOM 0 HG12 VAL C 9 27.053 1.191 12.336 1.00 0.00 H new ATOM 0 HG13 VAL C 9 28.050 2.661 12.236 1.00 0.00 H new ATOM 0 HG21 VAL C 9 25.945 4.446 10.908 1.00 0.00 H new ATOM 0 HG22 VAL C 9 27.654 4.324 10.426 1.00 0.00 H new ATOM 0 HG23 VAL C 9 26.369 4.054 9.224 1.00 0.00 H new ATOM 142 N GLU C 10 26.932 -0.614 9.993 1.00 0.00 N ATOM 143 CA GLU C 10 27.044 -1.983 10.469 1.00 0.00 C ATOM 144 C GLU C 10 28.268 -2.655 9.861 1.00 0.00 C ATOM 145 O GLU C 10 28.990 -3.385 10.542 1.00 0.00 O ATOM 146 CB GLU C 10 25.783 -2.767 10.096 1.00 0.00 C ATOM 147 CG GLU C 10 25.799 -4.127 10.794 1.00 0.00 C ATOM 148 CD GLU C 10 25.642 -3.941 12.301 1.00 0.00 C ATOM 149 OE1 GLU C 10 25.128 -2.910 12.699 1.00 0.00 O ATOM 150 OE2 GLU C 10 26.045 -4.830 13.034 1.00 0.00 O1- ATOM 0 H GLU C 10 26.086 -0.417 9.458 1.00 0.00 H new ATOM 0 HA GLU C 10 27.152 -1.970 11.554 1.00 0.00 H new ATOM 0 HB2 GLU C 10 24.895 -2.207 10.389 1.00 0.00 H new ATOM 0 HB3 GLU C 10 25.733 -2.902 9.016 1.00 0.00 H new ATOM 0 HG2 GLU C 10 24.992 -4.752 10.410 1.00 0.00 H new ATOM 0 HG3 GLU C 10 26.734 -4.645 10.578 1.00 0.00 H new ATOM 157 N GLN C 11 28.500 -2.396 8.579 1.00 0.00 N ATOM 158 CA GLN C 11 29.649 -2.974 7.889 1.00 0.00 C ATOM 159 C GLN C 11 30.951 -2.450 8.496 1.00 0.00 C ATOM 160 O GLN C 11 31.931 -3.184 8.614 1.00 0.00 O ATOM 161 CB GLN C 11 29.599 -2.630 6.401 1.00 0.00 C ATOM 162 CG GLN C 11 30.711 -3.379 5.663 1.00 0.00 C ATOM 163 CD GLN C 11 30.682 -3.028 4.180 1.00 0.00 C ATOM 164 OE1 GLN C 11 30.896 -1.873 3.811 1.00 0.00 O ATOM 165 NE2 GLN C 11 30.421 -3.958 3.304 1.00 0.00 N ATOM 0 H GLN C 11 27.914 -1.795 8.000 1.00 0.00 H new ATOM 0 HA GLN C 11 29.614 -4.057 8.006 1.00 0.00 H new ATOM 0 HB2 GLN C 11 28.628 -2.901 5.987 1.00 0.00 H new ATOM 0 HB3 GLN C 11 29.716 -1.555 6.262 1.00 0.00 H new ATOM 0 HG2 GLN C 11 31.680 -3.118 6.088 1.00 0.00 H new ATOM 0 HG3 GLN C 11 30.585 -4.454 5.793 1.00 0.00 H new ATOM 0 HE21 GLN C 11 30.244 -4.914 3.612 1.00 0.00 H new ATOM 0 HE22 GLN C 11 30.394 -3.729 2.310 1.00 0.00 H new ATOM 174 N LEU C 12 30.954 -1.172 8.871 1.00 0.00 N ATOM 175 CA LEU C 12 32.139 -0.562 9.453 1.00 0.00 C ATOM 176 C LEU C 12 32.717 -1.449 10.550 1.00 0.00 C ATOM 177 O LEU C 12 31.980 -2.097 11.287 1.00 0.00 O ATOM 178 CB LEU C 12 31.784 0.809 10.040 1.00 0.00 C ATOM 179 CG LEU C 12 32.620 1.894 9.363 1.00 0.00 C ATOM 180 CD1 LEU C 12 32.189 2.033 7.902 1.00 0.00 C ATOM 181 CD2 LEU C 12 32.407 3.225 10.087 1.00 0.00 C ATOM 0 H LEU C 12 30.154 -0.546 8.782 1.00 0.00 H new ATOM 0 HA LEU C 12 32.885 -0.442 8.668 1.00 0.00 H new ATOM 0 HB2 LEU C 12 30.723 1.012 9.897 1.00 0.00 H new ATOM 0 HB3 LEU C 12 31.967 0.813 11.114 1.00 0.00 H new ATOM 0 HG LEU C 12 33.674 1.621 9.405 1.00 0.00 H new ATOM 0 HD11 LEU C 12 32.785 2.807 7.419 1.00 0.00 H new ATOM 0 HD12 LEU C 12 32.339 1.084 7.387 1.00 0.00 H new ATOM 0 HD13 LEU C 12 31.135 2.307 7.858 1.00 0.00 H new ATOM 0 HD21 LEU C 12 33.003 4.001 9.605 1.00 0.00 H new ATOM 0 HD22 LEU C 12 31.353 3.498 10.044 1.00 0.00 H new ATOM 0 HD23 LEU C 12 32.714 3.126 11.128 1.00 0.00 H new ATOM 193 N THR C 13 34.040 -1.472 10.645 1.00 0.00 N ATOM 194 CA THR C 13 34.709 -2.279 11.653 1.00 0.00 C ATOM 195 C THR C 13 34.660 -1.589 13.008 1.00 0.00 C ATOM 196 O THR C 13 34.408 -0.389 13.096 1.00 0.00 O ATOM 197 CB THR C 13 36.166 -2.520 11.254 1.00 0.00 C ATOM 198 OG1 THR C 13 36.845 -1.280 11.179 1.00 0.00 O ATOM 199 CG2 THR C 13 36.220 -3.217 9.896 1.00 0.00 C ATOM 0 H THR C 13 34.667 -0.943 10.039 1.00 0.00 H new ATOM 0 HA THR C 13 34.192 -3.236 11.724 1.00 0.00 H new ATOM 0 HB THR C 13 36.646 -3.153 12.001 1.00 0.00 H new ATOM 0 HG1 THR C 13 36.699 -0.880 10.296 1.00 0.00 H new ATOM 0 HG21 THR C 13 37.259 -3.387 9.615 1.00 0.00 H new ATOM 0 HG22 THR C 13 35.700 -4.173 9.957 1.00 0.00 H new ATOM 0 HG23 THR C 13 35.739 -2.589 9.146 1.00 0.00 H new ATOM 207 N GLU C 14 34.911 -2.354 14.062 1.00 0.00 N ATOM 208 CA GLU C 14 34.898 -1.805 15.413 1.00 0.00 C ATOM 209 C GLU C 14 35.984 -0.750 15.572 1.00 0.00 C ATOM 210 O GLU C 14 35.799 0.253 16.258 1.00 0.00 O ATOM 211 CB GLU C 14 35.102 -2.921 16.440 1.00 0.00 C ATOM 212 CG GLU C 14 33.861 -3.819 16.474 1.00 0.00 C ATOM 213 CD GLU C 14 34.125 -5.039 17.351 1.00 0.00 C ATOM 214 OE1 GLU C 14 35.285 -5.332 17.591 1.00 0.00 O ATOM 215 OE2 GLU C 14 33.163 -5.658 17.775 1.00 0.00 O1- ATOM 0 H GLU C 14 35.125 -3.350 14.010 1.00 0.00 H new ATOM 0 HA GLU C 14 33.928 -1.337 15.584 1.00 0.00 H new ATOM 0 HB2 GLU C 14 35.983 -3.510 16.183 1.00 0.00 H new ATOM 0 HB3 GLU C 14 35.281 -2.493 17.426 1.00 0.00 H new ATOM 0 HG2 GLU C 14 33.008 -3.261 16.860 1.00 0.00 H new ATOM 0 HG3 GLU C 14 33.603 -4.136 15.463 1.00 0.00 H new ATOM 222 N GLU C 15 37.121 -0.996 14.945 1.00 0.00 N ATOM 223 CA GLU C 15 38.247 -0.064 15.034 1.00 0.00 C ATOM 224 C GLU C 15 37.910 1.256 14.357 1.00 0.00 C ATOM 225 O GLU C 15 38.202 2.327 14.891 1.00 0.00 O ATOM 226 CB GLU C 15 39.484 -0.673 14.363 1.00 0.00 C ATOM 227 CG GLU C 15 39.920 -1.924 15.128 1.00 0.00 C ATOM 228 CD GLU C 15 41.232 -2.452 14.559 1.00 0.00 C ATOM 229 OE1 GLU C 15 42.149 -1.661 14.407 1.00 0.00 O ATOM 230 OE2 GLU C 15 41.304 -3.639 14.287 1.00 0.00 O1- ATOM 0 H GLU C 15 37.295 -1.822 14.373 1.00 0.00 H new ATOM 0 HA GLU C 15 38.452 0.121 16.088 1.00 0.00 H new ATOM 0 HB2 GLU C 15 39.260 -0.928 13.327 1.00 0.00 H new ATOM 0 HB3 GLU C 15 40.295 0.055 14.344 1.00 0.00 H new ATOM 0 HG2 GLU C 15 40.041 -1.690 16.186 1.00 0.00 H new ATOM 0 HG3 GLU C 15 39.149 -2.691 15.057 1.00 0.00 H new ATOM 237 N GLN C 16 37.280 1.177 13.191 1.00 0.00 N ATOM 238 CA GLN C 16 36.898 2.380 12.460 1.00 0.00 C ATOM 239 C GLN C 16 35.926 3.226 13.275 1.00 0.00 C ATOM 240 O GLN C 16 36.042 4.451 13.323 1.00 0.00 O ATOM 241 CB GLN C 16 36.256 1.997 11.126 1.00 0.00 C ATOM 242 CG GLN C 16 37.334 1.527 10.150 1.00 0.00 C ATOM 243 CD GLN C 16 36.696 1.101 8.831 1.00 0.00 C ATOM 244 OE1 GLN C 16 36.261 -0.043 8.689 1.00 0.00 O ATOM 245 NE2 GLN C 16 36.598 1.964 7.856 1.00 0.00 N ATOM 0 H GLN C 16 37.025 0.301 12.734 1.00 0.00 H new ATOM 0 HA GLN C 16 37.797 2.968 12.275 1.00 0.00 H new ATOM 0 HB2 GLN C 16 35.521 1.207 11.279 1.00 0.00 H new ATOM 0 HB3 GLN C 16 35.723 2.852 10.710 1.00 0.00 H new ATOM 0 HG2 GLN C 16 38.051 2.329 9.974 1.00 0.00 H new ATOM 0 HG3 GLN C 16 37.888 0.693 10.581 1.00 0.00 H new ATOM 0 HE21 GLN C 16 36.958 2.911 7.975 1.00 0.00 H new ATOM 0 HE22 GLN C 16 36.161 1.691 6.976 1.00 0.00 H new ATOM 254 N LYS C 17 34.975 2.563 13.925 1.00 0.00 N ATOM 255 CA LYS C 17 33.997 3.261 14.749 1.00 0.00 C ATOM 256 C LYS C 17 34.668 3.924 15.938 1.00 0.00 C ATOM 257 O LYS C 17 34.313 5.044 16.316 1.00 0.00 O ATOM 258 CB LYS C 17 32.924 2.285 15.230 1.00 0.00 C ATOM 259 CG LYS C 17 32.083 1.807 14.038 1.00 0.00 C ATOM 260 CD LYS C 17 30.863 1.045 14.553 1.00 0.00 C ATOM 261 CE LYS C 17 30.108 0.434 13.375 1.00 0.00 C ATOM 262 NZ LYS C 17 30.804 -0.807 12.931 1.00 0.00 N1+ ATOM 0 H LYS C 17 34.862 1.550 13.897 1.00 0.00 H new ATOM 0 HA LYS C 17 33.529 4.036 14.143 1.00 0.00 H new ATOM 0 HB2 LYS C 17 33.390 1.432 15.723 1.00 0.00 H new ATOM 0 HB3 LYS C 17 32.284 2.769 15.968 1.00 0.00 H new ATOM 0 HG2 LYS C 17 31.766 2.659 13.437 1.00 0.00 H new ATOM 0 HG3 LYS C 17 32.681 1.165 13.391 1.00 0.00 H new ATOM 0 HD2 LYS C 17 31.175 0.262 15.244 1.00 0.00 H new ATOM 0 HD3 LYS C 17 30.209 1.717 15.108 1.00 0.00 H new ATOM 0 HE2 LYS C 17 29.083 0.205 13.665 1.00 0.00 H new ATOM 0 HE3 LYS C 17 30.055 1.148 12.553 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 30.711 -0.908 11.900 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 31.811 -0.749 13.183 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 30.376 -1.631 13.399 1.00 0.00 H new ATOM 276 N ASN C 18 35.636 3.231 16.523 1.00 0.00 N ATOM 277 CA ASN C 18 36.342 3.767 17.671 1.00 0.00 C ATOM 278 C ASN C 18 37.085 5.046 17.306 1.00 0.00 C ATOM 279 O ASN C 18 37.130 5.997 18.088 1.00 0.00 O ATOM 280 CB ASN C 18 37.334 2.730 18.208 1.00 0.00 C ATOM 281 CG ASN C 18 36.586 1.585 18.880 1.00 0.00 C ATOM 282 OD1 ASN C 18 36.678 0.438 18.441 1.00 0.00 O ATOM 283 ND2 ASN C 18 35.850 1.827 19.930 1.00 0.00 N ATOM 0 H ASN C 18 35.945 2.306 16.223 1.00 0.00 H new ATOM 0 HA ASN C 18 35.608 4.001 18.442 1.00 0.00 H new ATOM 0 HB2 ASN C 18 37.946 2.345 17.392 1.00 0.00 H new ATOM 0 HB3 ASN C 18 38.012 3.199 18.921 1.00 0.00 H new ATOM 0 HD21 ASN C 18 35.350 1.066 20.389 1.00 0.00 H new ATOM 0 HD22 ASN C 18 35.775 2.778 20.292 1.00 0.00 H new ATOM 290 N GLU C 19 37.671 5.059 16.114 1.00 0.00 N ATOM 291 CA GLU C 19 38.412 6.230 15.658 1.00 0.00 C ATOM 292 C GLU C 19 37.491 7.446 15.551 1.00 0.00 C ATOM 293 O GLU C 19 37.827 8.543 16.018 1.00 0.00 O ATOM 294 CB GLU C 19 39.038 5.945 14.288 1.00 0.00 C ATOM 295 CG GLU C 19 40.175 4.934 14.445 1.00 0.00 C ATOM 296 CD GLU C 19 40.773 4.605 13.081 1.00 0.00 C ATOM 297 OE1 GLU C 19 40.204 5.030 12.088 1.00 0.00 O ATOM 298 OE2 GLU C 19 41.792 3.935 13.049 1.00 0.00 O1- ATOM 0 H GLU C 19 37.649 4.283 15.453 1.00 0.00 H new ATOM 0 HA GLU C 19 39.195 6.446 16.385 1.00 0.00 H new ATOM 0 HB2 GLU C 19 38.283 5.555 13.606 1.00 0.00 H new ATOM 0 HB3 GLU C 19 39.417 6.869 13.850 1.00 0.00 H new ATOM 0 HG2 GLU C 19 40.945 5.340 15.101 1.00 0.00 H new ATOM 0 HG3 GLU C 19 39.802 4.025 14.916 1.00 0.00 H new ATOM 305 N PHE C 20 36.323 7.243 14.956 1.00 0.00 N ATOM 306 CA PHE C 20 35.359 8.325 14.807 1.00 0.00 C ATOM 307 C PHE C 20 34.773 8.712 16.160 1.00 0.00 C ATOM 308 O PHE C 20 34.569 9.893 16.445 1.00 0.00 O ATOM 309 CB PHE C 20 34.239 7.902 13.857 1.00 0.00 C ATOM 310 CG PHE C 20 34.815 7.581 12.494 1.00 0.00 C ATOM 311 CD1 PHE C 20 35.521 8.557 11.777 1.00 0.00 C ATOM 312 CD2 PHE C 20 34.659 6.299 11.954 1.00 0.00 C ATOM 313 CE1 PHE C 20 36.056 8.254 10.525 1.00 0.00 C ATOM 314 CE2 PHE C 20 35.194 6.000 10.698 1.00 0.00 C ATOM 315 CZ PHE C 20 35.899 6.974 9.987 1.00 0.00 C ATOM 0 H PHE C 20 36.022 6.347 14.572 1.00 0.00 H new ATOM 0 HA PHE C 20 35.874 9.191 14.391 1.00 0.00 H new ATOM 0 HB2 PHE C 20 33.720 7.031 14.257 1.00 0.00 H new ATOM 0 HB3 PHE C 20 33.502 8.700 13.771 1.00 0.00 H new ATOM 0 HD1 PHE C 20 35.651 9.545 12.194 1.00 0.00 H new ATOM 0 HD2 PHE C 20 34.125 5.541 12.508 1.00 0.00 H new ATOM 0 HE1 PHE C 20 36.592 9.010 9.971 1.00 0.00 H new ATOM 0 HE2 PHE C 20 35.062 5.014 10.276 1.00 0.00 H new ATOM 0 HZ PHE C 20 36.323 6.738 9.022 1.00 0.00 H new ATOM 325 N LYS C 21 34.523 7.716 16.991 1.00 0.00 N ATOM 326 CA LYS C 21 33.980 7.957 18.322 1.00 0.00 C ATOM 327 C LYS C 21 34.934 8.833 19.128 1.00 0.00 C ATOM 328 O LYS C 21 34.505 9.729 19.853 1.00 0.00 O ATOM 329 CB LYS C 21 33.757 6.631 19.046 1.00 0.00 C ATOM 330 CG LYS C 21 33.135 6.897 20.421 1.00 0.00 C ATOM 331 CD LYS C 21 32.670 5.576 21.042 1.00 0.00 C ATOM 332 CE LYS C 21 31.262 5.236 20.543 1.00 0.00 C ATOM 333 NZ LYS C 21 30.778 4.007 21.224 1.00 0.00 N1+ ATOM 0 H LYS C 21 34.686 6.733 16.771 1.00 0.00 H new ATOM 0 HA LYS C 21 33.025 8.472 18.222 1.00 0.00 H new ATOM 0 HB2 LYS C 21 33.102 5.989 18.457 1.00 0.00 H new ATOM 0 HB3 LYS C 21 34.704 6.103 19.159 1.00 0.00 H new ATOM 0 HG2 LYS C 21 33.863 7.380 21.073 1.00 0.00 H new ATOM 0 HG3 LYS C 21 32.292 7.581 20.323 1.00 0.00 H new ATOM 0 HD2 LYS C 21 33.362 4.776 20.779 1.00 0.00 H new ATOM 0 HD3 LYS C 21 32.672 5.654 22.129 1.00 0.00 H new ATOM 0 HE2 LYS C 21 30.584 6.066 20.742 1.00 0.00 H new ATOM 0 HE3 LYS C 21 31.274 5.086 19.463 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 29.822 3.776 20.885 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 31.421 3.217 21.013 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 30.752 4.167 22.251 1.00 0.00 H new ATOM 347 N ALA C 22 36.228 8.572 18.990 1.00 0.00 N ATOM 348 CA ALA C 22 37.232 9.357 19.703 1.00 0.00 C ATOM 349 C ALA C 22 37.156 10.821 19.282 1.00 0.00 C ATOM 350 O ALA C 22 37.225 11.724 20.120 1.00 0.00 O ATOM 351 CB ALA C 22 38.629 8.811 19.398 1.00 0.00 C ATOM 0 H ALA C 22 36.606 7.832 18.398 1.00 0.00 H new ATOM 0 HA ALA C 22 37.037 9.284 20.773 1.00 0.00 H new ATOM 0 HB1 ALA C 22 39.374 9.400 19.932 1.00 0.00 H new ATOM 0 HB2 ALA C 22 38.691 7.771 19.718 1.00 0.00 H new ATOM 0 HB3 ALA C 22 38.818 8.873 18.326 1.00 0.00 H new ATOM 357 N ALA C 23 36.991 11.050 17.984 1.00 0.00 N ATOM 358 CA ALA C 23 36.880 12.414 17.465 1.00 0.00 C ATOM 359 C ALA C 23 35.647 13.104 18.042 1.00 0.00 C ATOM 360 O ALA C 23 35.675 14.297 18.345 1.00 0.00 O ATOM 361 CB ALA C 23 36.795 12.391 15.939 1.00 0.00 C ATOM 0 H ALA C 23 36.931 10.319 17.275 1.00 0.00 H new ATOM 0 HA ALA C 23 37.767 12.972 17.764 1.00 0.00 H new ATOM 0 HB1 ALA C 23 36.713 13.411 15.564 1.00 0.00 H new ATOM 0 HB2 ALA C 23 37.693 11.926 15.532 1.00 0.00 H new ATOM 0 HB3 ALA C 23 35.919 11.820 15.632 1.00 0.00 H new ATOM 367 N PHE C 24 34.566 12.347 18.184 1.00 0.00 N ATOM 368 CA PHE C 24 33.324 12.897 18.721 1.00 0.00 C ATOM 369 C PHE C 24 33.558 13.481 20.111 1.00 0.00 C ATOM 370 O PHE C 24 33.144 14.604 20.399 1.00 0.00 O ATOM 371 CB PHE C 24 32.257 11.803 18.801 1.00 0.00 C ATOM 372 CG PHE C 24 31.001 12.362 19.423 1.00 0.00 C ATOM 373 CD1 PHE C 24 30.094 13.082 18.640 1.00 0.00 C ATOM 374 CD2 PHE C 24 30.751 12.167 20.787 1.00 0.00 C ATOM 375 CE1 PHE C 24 28.930 13.601 19.218 1.00 0.00 C ATOM 376 CE2 PHE C 24 29.587 12.687 21.365 1.00 0.00 C ATOM 377 CZ PHE C 24 28.678 13.406 20.581 1.00 0.00 C ATOM 0 H PHE C 24 34.522 11.358 17.938 1.00 0.00 H new ATOM 0 HA PHE C 24 32.981 13.689 18.055 1.00 0.00 H new ATOM 0 HB2 PHE C 24 32.041 11.419 17.804 1.00 0.00 H new ATOM 0 HB3 PHE C 24 32.625 10.965 19.393 1.00 0.00 H new ATOM 0 HD1 PHE C 24 30.291 13.238 17.590 1.00 0.00 H new ATOM 0 HD2 PHE C 24 31.456 11.616 21.392 1.00 0.00 H new ATOM 0 HE1 PHE C 24 28.226 14.152 18.612 1.00 0.00 H new ATOM 0 HE2 PHE C 24 29.391 12.533 22.416 1.00 0.00 H new ATOM 0 HZ PHE C 24 27.782 13.811 21.028 1.00 0.00 H new ATOM 387 N ASP C 25 34.233 12.715 20.964 1.00 0.00 N ATOM 388 CA ASP C 25 34.525 13.168 22.320 1.00 0.00 C ATOM 389 C ASP C 25 35.348 14.457 22.283 1.00 0.00 C ATOM 390 O ASP C 25 35.129 15.369 23.077 1.00 0.00 O ATOM 391 CB ASP C 25 35.294 12.090 23.080 1.00 0.00 C ATOM 392 CG ASP C 25 35.483 12.513 24.533 1.00 0.00 C ATOM 393 OD1 ASP C 25 35.238 13.671 24.830 1.00 0.00 O ATOM 394 OD2 ASP C 25 35.867 11.671 25.328 1.00 0.00 O1- ATOM 0 H ASP C 25 34.586 11.784 20.742 1.00 0.00 H new ATOM 0 HA ASP C 25 33.582 13.363 22.831 1.00 0.00 H new ATOM 0 HB2 ASP C 25 34.753 11.145 23.035 1.00 0.00 H new ATOM 0 HB3 ASP C 25 36.264 11.924 22.611 1.00 0.00 H new ATOM 399 N ILE C 26 36.296 14.526 21.351 1.00 0.00 N ATOM 400 CA ILE C 26 37.134 15.706 21.205 1.00 0.00 C ATOM 401 C ILE C 26 36.313 16.888 20.699 1.00 0.00 C ATOM 402 O ILE C 26 36.514 18.023 21.112 1.00 0.00 O ATOM 403 CB ILE C 26 38.279 15.419 20.239 1.00 0.00 C ATOM 404 CG1 ILE C 26 39.238 14.409 20.872 1.00 0.00 C ATOM 405 CG2 ILE C 26 39.025 16.715 19.941 1.00 0.00 C ATOM 406 CD1 ILE C 26 40.223 13.913 19.815 1.00 0.00 C ATOM 0 H ILE C 26 36.500 13.778 20.688 1.00 0.00 H new ATOM 0 HA ILE C 26 37.545 15.960 22.182 1.00 0.00 H new ATOM 0 HB ILE C 26 37.881 15.007 19.311 1.00 0.00 H new ATOM 0 HG12 ILE C 26 39.777 14.872 21.699 1.00 0.00 H new ATOM 0 HG13 ILE C 26 38.679 13.570 21.286 1.00 0.00 H new ATOM 0 HG21 ILE C 26 39.844 16.513 19.251 1.00 0.00 H new ATOM 0 HG22 ILE C 26 38.340 17.434 19.491 1.00 0.00 H new ATOM 0 HG23 ILE C 26 39.425 17.126 20.868 1.00 0.00 H new ATOM 0 HD11 ILE C 26 40.907 13.193 20.264 1.00 0.00 H new ATOM 0 HD12 ILE C 26 39.675 13.435 19.003 1.00 0.00 H new ATOM 0 HD13 ILE C 26 40.791 14.757 19.422 1.00 0.00 H new ATOM 418 N PHE C 27 35.405 16.616 19.771 1.00 0.00 N ATOM 419 CA PHE C 27 34.582 17.677 19.198 1.00 0.00 C ATOM 420 C PHE C 27 33.793 18.408 20.278 1.00 0.00 C ATOM 421 O PHE C 27 33.672 19.632 20.249 1.00 0.00 O ATOM 422 CB PHE C 27 33.608 17.086 18.173 1.00 0.00 C ATOM 423 CG PHE C 27 34.167 17.261 16.783 1.00 0.00 C ATOM 424 CD1 PHE C 27 34.256 18.543 16.225 1.00 0.00 C ATOM 425 CD2 PHE C 27 34.593 16.148 16.047 1.00 0.00 C ATOM 426 CE1 PHE C 27 34.770 18.711 14.933 1.00 0.00 C ATOM 427 CE2 PHE C 27 35.107 16.317 14.756 1.00 0.00 C ATOM 428 CZ PHE C 27 35.195 17.599 14.199 1.00 0.00 C ATOM 0 H PHE C 27 35.220 15.683 19.402 1.00 0.00 H new ATOM 0 HA PHE C 27 35.247 18.390 18.711 1.00 0.00 H new ATOM 0 HB2 PHE C 27 33.445 16.028 18.380 1.00 0.00 H new ATOM 0 HB3 PHE C 27 32.639 17.579 18.251 1.00 0.00 H new ATOM 0 HD1 PHE C 27 33.928 19.402 16.791 1.00 0.00 H new ATOM 0 HD2 PHE C 27 34.525 15.159 16.476 1.00 0.00 H new ATOM 0 HE1 PHE C 27 34.838 19.700 14.503 1.00 0.00 H new ATOM 0 HE2 PHE C 27 35.436 15.458 14.189 1.00 0.00 H new ATOM 0 HZ PHE C 27 35.591 17.729 13.203 1.00 0.00 H new ATOM 438 N VAL C 28 33.257 17.652 21.226 1.00 0.00 N ATOM 439 CA VAL C 28 32.476 18.234 22.309 1.00 0.00 C ATOM 440 C VAL C 28 33.386 18.852 23.366 1.00 0.00 C ATOM 441 O VAL C 28 32.978 19.053 24.508 1.00 0.00 O ATOM 442 CB VAL C 28 31.588 17.172 22.950 1.00 0.00 C ATOM 443 CG1 VAL C 28 30.573 16.668 21.922 1.00 0.00 C ATOM 444 CG2 VAL C 28 32.454 16.004 23.420 1.00 0.00 C ATOM 0 H VAL C 28 33.348 16.637 21.267 1.00 0.00 H new ATOM 0 HA VAL C 28 31.849 19.020 21.888 1.00 0.00 H new ATOM 0 HB VAL C 28 31.061 17.603 23.801 1.00 0.00 H new ATOM 0 HG11 VAL C 28 29.938 15.909 22.379 1.00 0.00 H new ATOM 0 HG12 VAL C 28 29.956 17.500 21.581 1.00 0.00 H new ATOM 0 HG13 VAL C 28 31.100 16.236 21.072 1.00 0.00 H new ATOM 0 HG21 VAL C 28 31.822 15.244 23.879 1.00 0.00 H new ATOM 0 HG22 VAL C 28 32.979 15.574 22.567 1.00 0.00 H new ATOM 0 HG23 VAL C 28 33.180 16.360 24.150 1.00 0.00 H new ATOM 454 N LEU C 29 34.620 19.147 22.978 1.00 0.00 N ATOM 455 CA LEU C 29 35.581 19.746 23.895 1.00 0.00 C ATOM 456 C LEU C 29 35.063 21.081 24.414 1.00 0.00 C ATOM 457 O LEU C 29 35.646 21.667 25.325 1.00 0.00 O ATOM 458 CB LEU C 29 36.926 19.948 23.192 1.00 0.00 C ATOM 459 CG LEU C 29 36.710 20.700 21.868 1.00 0.00 C ATOM 460 CD1 LEU C 29 36.457 22.189 22.142 1.00 0.00 C ATOM 461 CD2 LEU C 29 37.945 20.549 20.984 1.00 0.00 C ATOM 0 H LEU C 29 34.978 18.982 22.037 1.00 0.00 H new ATOM 0 HA LEU C 29 35.718 19.071 24.740 1.00 0.00 H new ATOM 0 HB2 LEU C 29 37.603 20.511 23.835 1.00 0.00 H new ATOM 0 HB3 LEU C 29 37.396 18.983 23.001 1.00 0.00 H new ATOM 0 HG LEU C 29 35.843 20.278 21.360 1.00 0.00 H new ATOM 0 HD11 LEU C 29 36.305 22.712 21.198 1.00 0.00 H new ATOM 0 HD12 LEU C 29 35.569 22.299 22.764 1.00 0.00 H new ATOM 0 HD13 LEU C 29 37.317 22.615 22.659 1.00 0.00 H new ATOM 0 HD21 LEU C 29 37.789 21.083 20.047 1.00 0.00 H new ATOM 0 HD22 LEU C 29 38.813 20.963 21.497 1.00 0.00 H new ATOM 0 HD23 LEU C 29 38.117 19.493 20.776 1.00 0.00 H new ATOM 473 N GLY C 30 33.981 21.567 23.809 1.00 0.00 N ATOM 474 CA GLY C 30 33.402 22.848 24.205 1.00 0.00 C ATOM 475 C GLY C 30 31.972 22.676 24.688 1.00 0.00 C ATOM 476 O GLY C 30 31.262 23.656 24.910 1.00 0.00 O ATOM 0 H GLY C 30 33.491 21.097 23.048 1.00 0.00 H new ATOM 0 HA2 GLY C 30 34.005 23.294 24.996 1.00 0.00 H new ATOM 0 HA3 GLY C 30 33.424 23.537 23.361 1.00 0.00 H new ATOM 480 N ALA C 31 31.552 21.423 24.843 1.00 0.00 N ATOM 481 CA ALA C 31 30.198 21.131 25.299 1.00 0.00 C ATOM 482 C ALA C 31 30.227 20.214 26.516 1.00 0.00 C ATOM 483 O ALA C 31 30.811 19.131 26.476 1.00 0.00 O ATOM 484 CB ALA C 31 29.403 20.464 24.172 1.00 0.00 C ATOM 0 H ALA C 31 32.126 20.600 24.661 1.00 0.00 H new ATOM 0 HA ALA C 31 29.718 22.069 25.579 1.00 0.00 H new ATOM 0 HB1 ALA C 31 28.392 20.248 24.518 1.00 0.00 H new ATOM 0 HB2 ALA C 31 29.357 21.134 23.313 1.00 0.00 H new ATOM 0 HB3 ALA C 31 29.893 19.535 23.881 1.00 0.00 H new ATOM 490 N GLU C 32 29.577 20.649 27.591 1.00 0.00 N ATOM 491 CA GLU C 32 29.517 19.854 28.810 1.00 0.00 C ATOM 492 C GLU C 32 28.433 18.789 28.711 1.00 0.00 C ATOM 493 O GLU C 32 28.550 17.711 29.291 1.00 0.00 O ATOM 494 CB GLU C 32 29.249 20.756 30.015 1.00 0.00 C ATOM 495 CG GLU C 32 30.551 20.990 30.786 1.00 0.00 C ATOM 496 CD GLU C 32 31.588 21.640 29.878 1.00 0.00 C ATOM 497 OE1 GLU C 32 31.285 22.676 29.310 1.00 0.00 O ATOM 498 OE2 GLU C 32 32.671 21.090 29.761 1.00 0.00 O1- ATOM 0 H GLU C 32 29.087 21.542 27.642 1.00 0.00 H new ATOM 0 HA GLU C 32 30.479 19.358 28.939 1.00 0.00 H new ATOM 0 HB2 GLU C 32 28.836 21.708 29.683 1.00 0.00 H new ATOM 0 HB3 GLU C 32 28.507 20.296 30.667 1.00 0.00 H new ATOM 0 HG2 GLU C 32 30.362 21.628 31.650 1.00 0.00 H new ATOM 0 HG3 GLU C 32 30.933 20.043 31.167 1.00 0.00 H new ATOM 505 N ASP C 33 27.384 19.103 27.972 1.00 0.00 N ATOM 506 CA ASP C 33 26.274 18.170 27.794 1.00 0.00 C ATOM 507 C ASP C 33 26.687 17.014 26.889 1.00 0.00 C ATOM 508 O ASP C 33 26.012 15.986 26.832 1.00 0.00 O ATOM 509 CB ASP C 33 25.067 18.891 27.189 1.00 0.00 C ATOM 510 CG ASP C 33 24.459 19.841 28.215 1.00 0.00 C ATOM 511 OD1 ASP C 33 24.792 19.714 29.382 1.00 0.00 O ATOM 512 OD2 ASP C 33 23.671 20.684 27.818 1.00 0.00 O1- ATOM 0 H ASP C 33 27.273 19.992 27.485 1.00 0.00 H new ATOM 0 HA ASP C 33 26.001 17.773 28.772 1.00 0.00 H new ATOM 0 HB2 ASP C 33 25.372 19.447 26.302 1.00 0.00 H new ATOM 0 HB3 ASP C 33 24.321 18.163 26.868 1.00 0.00 H new ATOM 517 N GLY C 34 27.797 17.193 26.179 1.00 0.00 N ATOM 518 CA GLY C 34 28.289 16.158 25.278 1.00 0.00 C ATOM 519 C GLY C 34 27.690 16.318 23.886 1.00 0.00 C ATOM 520 O GLY C 34 27.827 15.439 23.035 1.00 0.00 O ATOM 0 H GLY C 34 28.368 18.038 26.210 1.00 0.00 H new ATOM 0 HA2 GLY C 34 29.376 16.209 25.218 1.00 0.00 H new ATOM 0 HA3 GLY C 34 28.037 15.175 25.676 1.00 0.00 H new ATOM 524 N CYS C 35 27.027 17.446 23.661 1.00 0.00 N ATOM 525 CA CYS C 35 26.408 17.711 22.365 1.00 0.00 C ATOM 526 C CYS C 35 27.270 18.668 21.548 1.00 0.00 C ATOM 527 O CYS C 35 27.985 19.502 22.103 1.00 0.00 O ATOM 528 CB CYS C 35 25.018 18.318 22.562 1.00 0.00 C ATOM 529 SG CYS C 35 23.970 17.145 23.458 1.00 0.00 S ATOM 0 H CYS C 35 26.904 18.187 24.351 1.00 0.00 H new ATOM 0 HA CYS C 35 26.318 16.767 21.827 1.00 0.00 H new ATOM 0 HB2 CYS C 35 25.093 19.253 23.117 1.00 0.00 H new ATOM 0 HB3 CYS C 35 24.573 18.556 21.596 1.00 0.00 H new ATOM 0 HG CYS C 35 22.789 17.661 23.628 1.00 0.00 H new ATOM 535 N ILE C 36 27.196 18.545 20.227 1.00 0.00 N ATOM 536 CA ILE C 36 27.976 19.410 19.345 1.00 0.00 C ATOM 537 C ILE C 36 27.085 20.495 18.753 1.00 0.00 C ATOM 538 O ILE C 36 26.101 20.204 18.074 1.00 0.00 O ATOM 539 CB ILE C 36 28.591 18.575 18.217 1.00 0.00 C ATOM 540 CG1 ILE C 36 29.502 17.499 18.812 1.00 0.00 C ATOM 541 CG2 ILE C 36 29.412 19.480 17.292 1.00 0.00 C ATOM 542 CD1 ILE C 36 29.911 16.511 17.715 1.00 0.00 C ATOM 0 H ILE C 36 26.610 17.862 19.746 1.00 0.00 H new ATOM 0 HA ILE C 36 28.771 19.881 19.923 1.00 0.00 H new ATOM 0 HB ILE C 36 27.792 18.102 17.646 1.00 0.00 H new ATOM 0 HG12 ILE C 36 30.388 17.959 19.250 1.00 0.00 H new ATOM 0 HG13 ILE C 36 28.985 16.974 19.615 1.00 0.00 H new ATOM 0 HG21 ILE C 36 29.848 18.882 16.491 1.00 0.00 H new ATOM 0 HG22 ILE C 36 28.765 20.245 16.863 1.00 0.00 H new ATOM 0 HG23 ILE C 36 30.208 19.957 17.863 1.00 0.00 H new ATOM 0 HD11 ILE C 36 30.560 15.745 18.139 1.00 0.00 H new ATOM 0 HD12 ILE C 36 29.020 16.042 17.297 1.00 0.00 H new ATOM 0 HD13 ILE C 36 30.444 17.043 16.927 1.00 0.00 H new ATOM 554 N SER C 37 27.454 21.747 19.009 1.00 0.00 N ATOM 555 CA SER C 37 26.695 22.884 18.498 1.00 0.00 C ATOM 556 C SER C 37 27.585 23.783 17.644 1.00 0.00 C ATOM 557 O SER C 37 28.704 23.411 17.289 1.00 0.00 O ATOM 558 CB SER C 37 26.115 23.689 19.657 1.00 0.00 C ATOM 559 OG SER C 37 25.286 22.846 20.446 1.00 0.00 O ATOM 0 H SER C 37 28.271 21.999 19.565 1.00 0.00 H new ATOM 0 HA SER C 37 25.882 22.504 17.879 1.00 0.00 H new ATOM 0 HB2 SER C 37 26.919 24.101 20.267 1.00 0.00 H new ATOM 0 HB3 SER C 37 25.539 24.532 19.277 1.00 0.00 H new ATOM 0 HG SER C 37 24.913 23.360 21.193 1.00 0.00 H new ATOM 565 N THR C 38 27.079 24.968 17.315 1.00 0.00 N ATOM 566 CA THR C 38 27.834 25.910 16.505 1.00 0.00 C ATOM 567 C THR C 38 29.084 26.366 17.249 1.00 0.00 C ATOM 568 O THR C 38 30.109 26.657 16.637 1.00 0.00 O ATOM 569 CB THR C 38 26.963 27.122 16.174 1.00 0.00 C ATOM 570 OG1 THR C 38 26.519 27.730 17.378 1.00 0.00 O ATOM 571 CG2 THR C 38 25.756 26.680 15.345 1.00 0.00 C ATOM 0 H THR C 38 26.155 25.295 17.596 1.00 0.00 H new ATOM 0 HA THR C 38 28.134 25.415 15.581 1.00 0.00 H new ATOM 0 HB THR C 38 27.548 27.840 15.600 1.00 0.00 H new ATOM 0 HG1 THR C 38 25.962 28.508 17.166 1.00 0.00 H new ATOM 0 HG21 THR C 38 25.138 27.547 15.111 1.00 0.00 H new ATOM 0 HG22 THR C 38 26.100 26.219 14.419 1.00 0.00 H new ATOM 0 HG23 THR C 38 25.169 25.958 15.913 1.00 0.00 H new ATOM 579 N LYS C 39 28.994 26.422 18.574 1.00 0.00 N ATOM 580 CA LYS C 39 30.132 26.841 19.382 1.00 0.00 C ATOM 581 C LYS C 39 31.299 25.878 19.212 1.00 0.00 C ATOM 582 O LYS C 39 32.442 26.306 19.022 1.00 0.00 O ATOM 583 CB LYS C 39 29.725 26.889 20.858 1.00 0.00 C ATOM 584 CG LYS C 39 28.754 28.051 21.091 1.00 0.00 C ATOM 585 CD LYS C 39 29.536 29.353 21.292 1.00 0.00 C ATOM 586 CE LYS C 39 28.569 30.482 21.633 1.00 0.00 C ATOM 587 NZ LYS C 39 29.332 31.752 21.785 1.00 0.00 N1+ ATOM 0 H LYS C 39 28.156 26.186 19.105 1.00 0.00 H new ATOM 0 HA LYS C 39 30.444 27.831 19.051 1.00 0.00 H new ATOM 0 HB2 LYS C 39 29.256 25.948 21.146 1.00 0.00 H new ATOM 0 HB3 LYS C 39 30.609 27.010 21.485 1.00 0.00 H new ATOM 0 HG2 LYS C 39 28.080 28.149 20.240 1.00 0.00 H new ATOM 0 HG3 LYS C 39 28.136 27.850 21.966 1.00 0.00 H new ATOM 0 HD2 LYS C 39 30.266 29.231 22.093 1.00 0.00 H new ATOM 0 HD3 LYS C 39 30.093 29.598 20.388 1.00 0.00 H new ATOM 0 HE2 LYS C 39 27.821 30.585 20.847 1.00 0.00 H new ATOM 0 HE3 LYS C 39 28.034 30.253 22.555 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 28.676 32.525 22.018 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 30.030 31.648 22.549 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 29.823 31.971 20.895 1.00 0.00 H new ATOM 601 N GLU C 40 31.010 24.579 19.257 1.00 0.00 N ATOM 602 CA GLU C 40 32.053 23.577 19.086 1.00 0.00 C ATOM 603 C GLU C 40 32.644 23.647 17.681 1.00 0.00 C ATOM 604 O GLU C 40 33.863 23.578 17.507 1.00 0.00 O ATOM 605 CB GLU C 40 31.465 22.186 19.326 1.00 0.00 C ATOM 606 CG GLU C 40 31.151 22.004 20.814 1.00 0.00 C ATOM 607 CD GLU C 40 29.914 22.813 21.192 1.00 0.00 C ATOM 608 OE1 GLU C 40 29.168 23.175 20.297 1.00 0.00 O ATOM 609 OE2 GLU C 40 29.735 23.063 22.371 1.00 0.00 O1- ATOM 0 H GLU C 40 30.075 24.202 19.408 1.00 0.00 H new ATOM 0 HA GLU C 40 32.848 23.773 19.806 1.00 0.00 H new ATOM 0 HB2 GLU C 40 30.558 22.058 18.735 1.00 0.00 H new ATOM 0 HB3 GLU C 40 32.170 21.422 18.998 1.00 0.00 H new ATOM 0 HG2 GLU C 40 30.986 20.949 21.032 1.00 0.00 H new ATOM 0 HG3 GLU C 40 32.002 22.324 21.415 1.00 0.00 H new ATOM 616 N LEU C 41 31.780 23.801 16.685 1.00 0.00 N ATOM 617 CA LEU C 41 32.226 23.890 15.306 1.00 0.00 C ATOM 618 C LEU C 41 32.995 25.189 15.084 1.00 0.00 C ATOM 619 O LEU C 41 33.960 25.225 14.322 1.00 0.00 O ATOM 620 CB LEU C 41 31.022 23.834 14.363 1.00 0.00 C ATOM 621 CG LEU C 41 31.492 23.423 12.968 1.00 0.00 C ATOM 622 CD1 LEU C 41 31.795 21.918 12.936 1.00 0.00 C ATOM 623 CD2 LEU C 41 30.401 23.745 11.943 1.00 0.00 C ATOM 0 H LEU C 41 30.770 23.866 16.809 1.00 0.00 H new ATOM 0 HA LEU C 41 32.885 23.048 15.096 1.00 0.00 H new ATOM 0 HB2 LEU C 41 30.286 23.122 14.736 1.00 0.00 H new ATOM 0 HB3 LEU C 41 30.532 24.807 14.322 1.00 0.00 H new ATOM 0 HG LEU C 41 32.399 23.975 12.723 1.00 0.00 H new ATOM 0 HD11 LEU C 41 32.129 21.635 11.938 1.00 0.00 H new ATOM 0 HD12 LEU C 41 32.578 21.689 13.659 1.00 0.00 H new ATOM 0 HD13 LEU C 41 30.893 21.360 13.188 1.00 0.00 H new ATOM 0 HD21 LEU C 41 30.738 23.451 10.949 1.00 0.00 H new ATOM 0 HD22 LEU C 41 29.492 23.198 12.195 1.00 0.00 H new ATOM 0 HD23 LEU C 41 30.195 24.815 11.955 1.00 0.00 H new ATOM 635 N GLY C 42 32.556 26.251 15.752 1.00 0.00 N ATOM 636 CA GLY C 42 33.209 27.548 15.618 1.00 0.00 C ATOM 637 C GLY C 42 34.665 27.469 16.062 1.00 0.00 C ATOM 638 O GLY C 42 35.550 28.028 15.413 1.00 0.00 O ATOM 0 H GLY C 42 31.757 26.240 16.387 1.00 0.00 H new ATOM 0 HA2 GLY C 42 33.158 27.881 14.581 1.00 0.00 H new ATOM 0 HA3 GLY C 42 32.681 28.290 16.217 1.00 0.00 H new ATOM 642 N LYS C 43 34.914 26.749 17.150 1.00 0.00 N ATOM 643 CA LYS C 43 36.270 26.586 17.655 1.00 0.00 C ATOM 644 C LYS C 43 37.112 25.781 16.677 1.00 0.00 C ATOM 645 O LYS C 43 38.284 26.087 16.451 1.00 0.00 O ATOM 646 CB LYS C 43 36.242 25.892 19.017 1.00 0.00 C ATOM 647 CG LYS C 43 35.708 26.859 20.077 1.00 0.00 C ATOM 648 CD LYS C 43 35.634 26.146 21.428 1.00 0.00 C ATOM 649 CE LYS C 43 35.358 27.169 22.531 1.00 0.00 C ATOM 650 NZ LYS C 43 34.063 27.854 22.264 1.00 0.00 N1+ ATOM 0 H LYS C 43 34.197 26.271 17.696 1.00 0.00 H new ATOM 0 HA LYS C 43 36.719 27.573 17.767 1.00 0.00 H new ATOM 0 HB2 LYS C 43 35.612 25.004 18.971 1.00 0.00 H new ATOM 0 HB3 LYS C 43 37.244 25.558 19.287 1.00 0.00 H new ATOM 0 HG2 LYS C 43 36.358 27.731 20.149 1.00 0.00 H new ATOM 0 HG3 LYS C 43 34.720 27.220 19.790 1.00 0.00 H new ATOM 0 HD2 LYS C 43 34.846 25.393 21.411 1.00 0.00 H new ATOM 0 HD3 LYS C 43 36.570 25.624 21.627 1.00 0.00 H new ATOM 0 HE2 LYS C 43 35.325 26.673 23.501 1.00 0.00 H new ATOM 0 HE3 LYS C 43 36.166 27.900 22.574 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 33.751 28.353 23.121 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 34.185 28.538 21.490 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 33.347 27.150 21.994 1.00 0.00 H new ATOM 664 N VAL C 44 36.506 24.748 16.098 1.00 0.00 N ATOM 665 CA VAL C 44 37.219 23.903 15.142 1.00 0.00 C ATOM 666 C VAL C 44 37.626 24.711 13.914 1.00 0.00 C ATOM 667 O VAL C 44 38.776 24.649 13.463 1.00 0.00 O ATOM 668 CB VAL C 44 36.315 22.751 14.712 1.00 0.00 C ATOM 669 CG1 VAL C 44 36.989 21.964 13.582 1.00 0.00 C ATOM 670 CG2 VAL C 44 36.068 21.816 15.902 1.00 0.00 C ATOM 0 H VAL C 44 35.538 24.478 16.270 1.00 0.00 H new ATOM 0 HA VAL C 44 38.118 23.513 15.620 1.00 0.00 H new ATOM 0 HB VAL C 44 35.364 23.153 14.362 1.00 0.00 H new ATOM 0 HG11 VAL C 44 36.343 21.142 13.276 1.00 0.00 H new ATOM 0 HG12 VAL C 44 37.163 22.624 12.732 1.00 0.00 H new ATOM 0 HG13 VAL C 44 37.941 21.566 13.933 1.00 0.00 H new ATOM 0 HG21 VAL C 44 35.422 20.995 15.591 1.00 0.00 H new ATOM 0 HG22 VAL C 44 37.019 21.417 16.254 1.00 0.00 H new ATOM 0 HG23 VAL C 44 35.587 22.371 16.707 1.00 0.00 H new ATOM 680 N MET C 45 36.682 25.477 13.382 1.00 0.00 N ATOM 681 CA MET C 45 36.955 26.298 12.216 1.00 0.00 C ATOM 682 C MET C 45 38.015 27.352 12.529 1.00 0.00 C ATOM 683 O MET C 45 38.867 27.664 11.696 1.00 0.00 O ATOM 684 CB MET C 45 35.674 26.982 11.731 1.00 0.00 C ATOM 685 CG MET C 45 34.755 25.948 11.082 1.00 0.00 C ATOM 686 SD MET C 45 33.242 26.760 10.512 1.00 0.00 S ATOM 687 CE MET C 45 32.912 25.665 9.110 1.00 0.00 C ATOM 0 H MET C 45 35.729 25.545 13.738 1.00 0.00 H new ATOM 0 HA MET C 45 37.332 25.646 11.428 1.00 0.00 H new ATOM 0 HB2 MET C 45 35.166 27.460 12.568 1.00 0.00 H new ATOM 0 HB3 MET C 45 35.918 27.767 11.015 1.00 0.00 H new ATOM 0 HG2 MET C 45 35.262 25.470 10.244 1.00 0.00 H new ATOM 0 HG3 MET C 45 34.512 25.162 11.797 1.00 0.00 H new ATOM 0 HE1 MET C 45 32.003 25.988 8.602 1.00 0.00 H new ATOM 0 HE2 MET C 45 33.750 25.703 8.414 1.00 0.00 H new ATOM 0 HE3 MET C 45 32.784 24.644 9.468 1.00 0.00 H new ATOM 697 N ARG C 46 37.941 27.912 13.732 1.00 0.00 N ATOM 698 CA ARG C 46 38.884 28.944 14.140 1.00 0.00 C ATOM 699 C ARG C 46 40.313 28.423 14.048 1.00 0.00 C ATOM 700 O ARG C 46 41.200 29.110 13.541 1.00 0.00 O ATOM 701 CB ARG C 46 38.592 29.368 15.582 1.00 0.00 C ATOM 702 CG ARG C 46 38.971 30.841 15.772 1.00 0.00 C ATOM 703 CD ARG C 46 37.796 31.733 15.350 1.00 0.00 C ATOM 704 NE ARG C 46 38.093 33.127 15.640 1.00 0.00 N ATOM 705 CZ ARG C 46 37.858 33.642 16.841 1.00 0.00 C ATOM 706 NH1 ARG C 46 37.355 32.894 17.786 1.00 0.00 N ATOM 707 NH2 ARG C 46 38.129 34.896 17.076 1.00 0.00 N1+ ATOM 0 H ARG C 46 37.243 27.670 14.436 1.00 0.00 H new ATOM 0 HA ARG C 46 38.774 29.800 13.475 1.00 0.00 H new ATOM 0 HB2 ARG C 46 37.536 29.222 15.808 1.00 0.00 H new ATOM 0 HB3 ARG C 46 39.156 28.745 16.276 1.00 0.00 H new ATOM 0 HG2 ARG C 46 39.228 31.029 16.814 1.00 0.00 H new ATOM 0 HG3 ARG C 46 39.853 31.080 15.178 1.00 0.00 H new ATOM 0 HD2 ARG C 46 37.601 31.609 14.285 1.00 0.00 H new ATOM 0 HD3 ARG C 46 36.892 31.429 15.877 1.00 0.00 H new ATOM 0 HE ARG C 46 38.488 33.718 14.909 1.00 0.00 H new ATOM 0 HH11 ARG C 46 37.142 31.914 17.602 1.00 0.00 H new ATOM 0 HH12 ARG C 46 37.175 33.290 18.708 1.00 0.00 H new ATOM 0 HH21 ARG C 46 38.521 35.480 16.337 1.00 0.00 H new ATOM 0 HH22 ARG C 46 37.949 35.293 17.998 1.00 0.00 H new ATOM 721 N MET C 47 40.525 27.198 14.513 1.00 0.00 N ATOM 722 CA MET C 47 41.847 26.586 14.455 1.00 0.00 C ATOM 723 C MET C 47 42.296 26.418 13.010 1.00 0.00 C ATOM 724 O MET C 47 43.468 26.610 12.682 1.00 0.00 O ATOM 725 CB MET C 47 41.830 25.232 15.160 1.00 0.00 C ATOM 726 CG MET C 47 43.234 24.618 15.127 1.00 0.00 C ATOM 727 SD MET C 47 43.246 23.065 16.054 1.00 0.00 S ATOM 728 CE MET C 47 43.473 23.777 17.703 1.00 0.00 C ATOM 0 H MET C 47 39.803 26.612 14.932 1.00 0.00 H new ATOM 0 HA MET C 47 42.554 27.242 14.963 1.00 0.00 H new ATOM 0 HB2 MET C 47 41.499 25.352 16.191 1.00 0.00 H new ATOM 0 HB3 MET C 47 41.119 24.565 14.672 1.00 0.00 H new ATOM 0 HG2 MET C 47 43.538 24.439 14.096 1.00 0.00 H new ATOM 0 HG3 MET C 47 43.955 25.314 15.556 1.00 0.00 H new ATOM 0 HE1 MET C 47 43.668 22.980 18.420 1.00 0.00 H new ATOM 0 HE2 MET C 47 44.317 24.467 17.689 1.00 0.00 H new ATOM 0 HE3 MET C 47 42.571 24.314 17.995 1.00 0.00 H new ATOM 738 N LEU C 48 41.357 26.049 12.154 1.00 0.00 N ATOM 739 CA LEU C 48 41.664 25.848 10.737 1.00 0.00 C ATOM 740 C LEU C 48 42.065 27.165 10.084 1.00 0.00 C ATOM 741 O LEU C 48 42.685 27.175 9.021 1.00 0.00 O ATOM 742 CB LEU C 48 40.447 25.269 10.011 1.00 0.00 C ATOM 743 CG LEU C 48 40.158 23.859 10.539 1.00 0.00 C ATOM 744 CD1 LEU C 48 38.870 23.325 9.906 1.00 0.00 C ATOM 745 CD2 LEU C 48 41.322 22.925 10.185 1.00 0.00 C ATOM 0 H LEU C 48 40.383 25.882 12.407 1.00 0.00 H new ATOM 0 HA LEU C 48 42.496 25.148 10.664 1.00 0.00 H new ATOM 0 HB2 LEU C 48 39.580 25.911 10.165 1.00 0.00 H new ATOM 0 HB3 LEU C 48 40.633 25.236 8.937 1.00 0.00 H new ATOM 0 HG LEU C 48 40.042 23.901 11.622 1.00 0.00 H new ATOM 0 HD11 LEU C 48 38.668 22.323 10.283 1.00 0.00 H new ATOM 0 HD12 LEU C 48 38.039 23.983 10.161 1.00 0.00 H new ATOM 0 HD13 LEU C 48 38.985 23.288 8.823 1.00 0.00 H new ATOM 0 HD21 LEU C 48 41.113 21.924 10.562 1.00 0.00 H new ATOM 0 HD22 LEU C 48 41.442 22.887 9.102 1.00 0.00 H new ATOM 0 HD23 LEU C 48 42.240 23.299 10.639 1.00 0.00 H new ATOM 757 N GLY C 49 41.708 28.270 10.728 1.00 0.00 N ATOM 758 CA GLY C 49 42.036 29.587 10.201 1.00 0.00 C ATOM 759 C GLY C 49 40.814 30.241 9.566 1.00 0.00 C ATOM 760 O GLY C 49 40.921 31.296 8.939 1.00 0.00 O ATOM 0 H GLY C 49 41.195 28.280 11.610 1.00 0.00 H new ATOM 0 HA2 GLY C 49 42.416 30.220 11.003 1.00 0.00 H new ATOM 0 HA3 GLY C 49 42.831 29.499 9.461 1.00 0.00 H new ATOM 764 N GLN C 50 39.654 29.615 9.742 1.00 0.00 N ATOM 765 CA GLN C 50 38.417 30.149 9.187 1.00 0.00 C ATOM 766 C GLN C 50 37.569 30.780 10.285 1.00 0.00 C ATOM 767 O GLN C 50 37.361 30.185 11.342 1.00 0.00 O ATOM 768 CB GLN C 50 37.625 29.033 8.504 1.00 0.00 C ATOM 769 CG GLN C 50 38.468 28.420 7.382 1.00 0.00 C ATOM 770 CD GLN C 50 37.603 27.511 6.518 1.00 0.00 C ATOM 771 OE1 GLN C 50 36.762 26.779 7.036 1.00 0.00 O ATOM 772 NE2 GLN C 50 37.753 27.526 5.222 1.00 0.00 N ATOM 0 H GLN C 50 39.546 28.744 10.261 1.00 0.00 H new ATOM 0 HA GLN C 50 38.670 30.914 8.453 1.00 0.00 H new ATOM 0 HB2 GLN C 50 37.356 28.267 9.231 1.00 0.00 H new ATOM 0 HB3 GLN C 50 36.694 29.429 8.099 1.00 0.00 H new ATOM 0 HG2 GLN C 50 38.904 29.210 6.770 1.00 0.00 H new ATOM 0 HG3 GLN C 50 39.296 27.852 7.807 1.00 0.00 H new ATOM 0 HE21 GLN C 50 38.452 28.135 4.797 1.00 0.00 H new ATOM 0 HE22 GLN C 50 37.171 26.929 4.634 1.00 0.00 H new ATOM 781 N ASN C 51 37.086 31.990 10.027 1.00 0.00 N ATOM 782 CA ASN C 51 36.262 32.700 11.001 1.00 0.00 C ATOM 783 C ASN C 51 35.061 33.350 10.323 1.00 0.00 C ATOM 784 O ASN C 51 34.937 34.576 10.299 1.00 0.00 O ATOM 785 CB ASN C 51 37.095 33.768 11.710 1.00 0.00 C ATOM 786 CG ASN C 51 37.749 34.683 10.681 1.00 0.00 C ATOM 787 OD1 ASN C 51 37.869 34.318 9.512 1.00 0.00 O ATOM 788 ND2 ASN C 51 38.188 35.855 11.050 1.00 0.00 N ATOM 0 H ASN C 51 37.249 32.498 9.158 1.00 0.00 H new ATOM 0 HA ASN C 51 35.899 31.979 11.733 1.00 0.00 H new ATOM 0 HB2 ASN C 51 36.462 34.352 12.378 1.00 0.00 H new ATOM 0 HB3 ASN C 51 37.859 33.295 12.327 1.00 0.00 H new ATOM 0 HD21 ASN C 51 38.632 36.471 10.369 1.00 0.00 H new ATOM 0 HD22 ASN C 51 38.087 36.155 12.020 1.00 0.00 H new ATOM 795 N PRO C 52 34.181 32.555 9.780 1.00 0.00 N ATOM 796 CA PRO C 52 32.953 33.050 9.094 1.00 0.00 C ATOM 797 C PRO C 52 31.926 33.591 10.081 1.00 0.00 C ATOM 798 O PRO C 52 32.234 33.821 11.251 1.00 0.00 O ATOM 799 CB PRO C 52 32.419 31.818 8.368 1.00 0.00 C ATOM 800 CG PRO C 52 32.940 30.654 9.136 1.00 0.00 C ATOM 801 CD PRO C 52 34.262 31.084 9.757 1.00 0.00 C ATOM 0 HA PRO C 52 33.166 33.882 8.423 1.00 0.00 H new ATOM 0 HB2 PRO C 52 31.329 31.817 8.343 1.00 0.00 H new ATOM 0 HB3 PRO C 52 32.761 31.792 7.333 1.00 0.00 H new ATOM 0 HG2 PRO C 52 32.231 30.353 9.908 1.00 0.00 H new ATOM 0 HG3 PRO C 52 33.083 29.794 8.482 1.00 0.00 H new ATOM 0 HD2 PRO C 52 34.384 30.675 10.760 1.00 0.00 H new ATOM 0 HD3 PRO C 52 35.111 30.740 9.167 1.00 0.00 H new ATOM 809 N THR C 53 30.712 33.809 9.592 1.00 0.00 N ATOM 810 CA THR C 53 29.652 34.335 10.433 1.00 0.00 C ATOM 811 C THR C 53 28.863 33.201 11.101 1.00 0.00 C ATOM 812 O THR C 53 28.753 32.089 10.560 1.00 0.00 O ATOM 813 CB THR C 53 28.696 35.201 9.603 1.00 0.00 C ATOM 814 OG1 THR C 53 28.517 34.603 8.332 1.00 0.00 O ATOM 815 CG2 THR C 53 29.279 36.604 9.447 1.00 0.00 C ATOM 0 H THR C 53 30.441 33.631 8.625 1.00 0.00 H new ATOM 0 HA THR C 53 30.114 34.944 11.210 1.00 0.00 H new ATOM 0 HB THR C 53 27.732 35.276 10.106 1.00 0.00 H new ATOM 0 HG1 THR C 53 27.906 35.150 7.796 1.00 0.00 H new ATOM 0 HG21 THR C 53 28.598 37.217 8.857 1.00 0.00 H new ATOM 0 HG22 THR C 53 29.413 37.054 10.431 1.00 0.00 H new ATOM 0 HG23 THR C 53 30.243 36.543 8.942 1.00 0.00 H new ATOM 823 N PRO C 54 28.307 33.460 12.256 1.00 0.00 N ATOM 824 CA PRO C 54 27.516 32.446 13.008 1.00 0.00 C ATOM 825 C PRO C 54 26.287 31.984 12.234 1.00 0.00 C ATOM 826 O PRO C 54 25.846 30.842 12.372 1.00 0.00 O ATOM 827 CB PRO C 54 27.112 33.181 14.290 1.00 0.00 C ATOM 828 CG PRO C 54 27.250 34.634 13.987 1.00 0.00 C ATOM 829 CD PRO C 54 28.366 34.746 12.973 1.00 0.00 C ATOM 0 HA PRO C 54 28.088 31.537 13.194 1.00 0.00 H new ATOM 0 HB2 PRO C 54 26.089 32.937 14.575 1.00 0.00 H new ATOM 0 HB3 PRO C 54 27.752 32.893 15.124 1.00 0.00 H new ATOM 0 HG2 PRO C 54 26.320 35.039 13.589 1.00 0.00 H new ATOM 0 HG3 PRO C 54 27.484 35.200 14.889 1.00 0.00 H new ATOM 0 HD2 PRO C 54 28.213 35.589 12.299 1.00 0.00 H new ATOM 0 HD3 PRO C 54 29.333 34.894 13.454 1.00 0.00 H new ATOM 837 N GLU C 55 25.744 32.873 11.418 1.00 0.00 N ATOM 838 CA GLU C 55 24.561 32.546 10.624 1.00 0.00 C ATOM 839 C GLU C 55 24.884 31.410 9.656 1.00 0.00 C ATOM 840 O GLU C 55 24.047 30.548 9.392 1.00 0.00 O ATOM 841 CB GLU C 55 24.112 33.774 9.828 1.00 0.00 C ATOM 842 CG GLU C 55 24.008 34.973 10.768 1.00 0.00 C ATOM 843 CD GLU C 55 23.302 36.132 10.069 1.00 0.00 C ATOM 844 OE1 GLU C 55 23.924 36.764 9.233 1.00 0.00 O ATOM 845 OE2 GLU C 55 22.145 36.369 10.382 1.00 0.00 O1- ATOM 0 H GLU C 55 26.097 33.821 11.285 1.00 0.00 H new ATOM 0 HA GLU C 55 23.761 32.236 11.296 1.00 0.00 H new ATOM 0 HB2 GLU C 55 24.823 33.984 9.029 1.00 0.00 H new ATOM 0 HB3 GLU C 55 23.149 33.583 9.355 1.00 0.00 H new ATOM 0 HG2 GLU C 55 23.459 34.693 11.667 1.00 0.00 H new ATOM 0 HG3 GLU C 55 25.004 35.283 11.086 1.00 0.00 H new ATOM 852 N GLU C 56 26.103 31.418 9.136 1.00 0.00 N ATOM 853 CA GLU C 56 26.529 30.376 8.191 1.00 0.00 C ATOM 854 C GLU C 56 26.653 29.038 8.905 1.00 0.00 C ATOM 855 O GLU C 56 26.265 27.994 8.374 1.00 0.00 O ATOM 856 CB GLU C 56 27.878 30.752 7.574 1.00 0.00 C ATOM 857 CG GLU C 56 27.734 32.062 6.804 1.00 0.00 C ATOM 858 CD GLU C 56 26.933 31.843 5.525 1.00 0.00 C ATOM 859 OE1 GLU C 56 26.808 30.700 5.117 1.00 0.00 O ATOM 860 OE2 GLU C 56 26.456 32.820 4.969 1.00 0.00 O1- ATOM 0 H GLU C 56 26.812 32.121 9.344 1.00 0.00 H new ATOM 0 HA GLU C 56 25.781 30.292 7.403 1.00 0.00 H new ATOM 0 HB2 GLU C 56 28.631 30.857 8.355 1.00 0.00 H new ATOM 0 HB3 GLU C 56 28.219 29.960 6.907 1.00 0.00 H new ATOM 0 HG2 GLU C 56 27.238 32.805 7.428 1.00 0.00 H new ATOM 0 HG3 GLU C 56 28.720 32.458 6.560 1.00 0.00 H new ATOM 867 N LEU C 57 27.194 29.076 10.115 1.00 0.00 N ATOM 868 CA LEU C 57 27.359 27.852 10.899 1.00 0.00 C ATOM 869 C LEU C 57 26.015 27.193 11.162 1.00 0.00 C ATOM 870 O LEU C 57 25.886 25.966 11.096 1.00 0.00 O ATOM 871 CB LEU C 57 28.041 28.167 12.237 1.00 0.00 C ATOM 872 CG LEU C 57 29.559 28.020 12.094 1.00 0.00 C ATOM 873 CD1 LEU C 57 30.097 29.089 11.143 1.00 0.00 C ATOM 874 CD2 LEU C 57 30.220 28.180 13.465 1.00 0.00 C ATOM 0 H LEU C 57 27.523 29.926 10.573 1.00 0.00 H new ATOM 0 HA LEU C 57 27.982 27.166 10.325 1.00 0.00 H new ATOM 0 HB2 LEU C 57 27.793 29.180 12.552 1.00 0.00 H new ATOM 0 HB3 LEU C 57 27.673 27.493 13.011 1.00 0.00 H new ATOM 0 HG LEU C 57 29.786 27.033 11.691 1.00 0.00 H new ATOM 0 HD11 LEU C 57 31.177 28.979 11.046 1.00 0.00 H new ATOM 0 HD12 LEU C 57 29.631 28.973 10.165 1.00 0.00 H new ATOM 0 HD13 LEU C 57 29.867 30.078 11.540 1.00 0.00 H new ATOM 0 HD21 LEU C 57 31.300 28.075 13.363 1.00 0.00 H new ATOM 0 HD22 LEU C 57 29.988 29.166 13.868 1.00 0.00 H new ATOM 0 HD23 LEU C 57 29.844 27.413 14.142 1.00 0.00 H new ATOM 886 N GLN C 58 25.021 28.011 11.464 1.00 0.00 N ATOM 887 CA GLN C 58 23.684 27.494 11.737 1.00 0.00 C ATOM 888 C GLN C 58 23.073 26.868 10.484 1.00 0.00 C ATOM 889 O GLN C 58 22.454 25.803 10.545 1.00 0.00 O ATOM 890 CB GLN C 58 22.779 28.620 12.242 1.00 0.00 C ATOM 891 CG GLN C 58 21.441 28.040 12.721 1.00 0.00 C ATOM 892 CD GLN C 58 20.483 27.878 11.547 1.00 0.00 C ATOM 893 OE1 GLN C 58 20.616 28.558 10.530 1.00 0.00 O ATOM 894 NE2 GLN C 58 19.507 27.023 11.632 1.00 0.00 N ATOM 0 H GLN C 58 25.109 29.025 11.527 1.00 0.00 H new ATOM 0 HA GLN C 58 23.769 26.724 12.503 1.00 0.00 H new ATOM 0 HB2 GLN C 58 23.267 29.153 13.058 1.00 0.00 H new ATOM 0 HB3 GLN C 58 22.607 29.345 11.446 1.00 0.00 H new ATOM 0 HG2 GLN C 58 21.606 27.075 13.200 1.00 0.00 H new ATOM 0 HG3 GLN C 58 21.000 28.697 13.471 1.00 0.00 H new ATOM 0 HE21 GLN C 58 19.395 26.459 12.474 1.00 0.00 H new ATOM 0 HE22 GLN C 58 18.853 26.917 10.856 1.00 0.00 H new ATOM 903 N GLU C 59 23.256 27.532 9.346 1.00 0.00 N ATOM 904 CA GLU C 59 22.729 27.034 8.089 1.00 0.00 C ATOM 905 C GLU C 59 23.400 25.711 7.725 1.00 0.00 C ATOM 906 O GLU C 59 22.754 24.801 7.210 1.00 0.00 O ATOM 907 CB GLU C 59 22.969 28.061 6.981 1.00 0.00 C ATOM 908 CG GLU C 59 22.241 27.623 5.711 1.00 0.00 C ATOM 909 CD GLU C 59 20.732 27.721 5.913 1.00 0.00 C ATOM 910 OE1 GLU C 59 20.322 28.434 6.813 1.00 0.00 O ATOM 911 OE2 GLU C 59 20.009 27.081 5.167 1.00 0.00 O1- ATOM 0 H GLU C 59 23.764 28.413 9.273 1.00 0.00 H new ATOM 0 HA GLU C 59 21.657 26.868 8.197 1.00 0.00 H new ATOM 0 HB2 GLU C 59 22.613 29.042 7.297 1.00 0.00 H new ATOM 0 HB3 GLU C 59 24.037 28.157 6.785 1.00 0.00 H new ATOM 0 HG2 GLU C 59 22.545 28.250 4.873 1.00 0.00 H new ATOM 0 HG3 GLU C 59 22.517 26.599 5.459 1.00 0.00 H new ATOM 918 N MET C 60 24.704 25.617 7.982 1.00 0.00 N ATOM 919 CA MET C 60 25.448 24.407 7.665 1.00 0.00 C ATOM 920 C MET C 60 24.871 23.211 8.420 1.00 0.00 C ATOM 921 O MET C 60 24.673 22.134 7.849 1.00 0.00 O ATOM 922 CB MET C 60 26.919 24.593 8.049 1.00 0.00 C ATOM 923 CG MET C 60 27.704 23.343 7.666 1.00 0.00 C ATOM 924 SD MET C 60 28.292 22.512 9.164 1.00 0.00 S ATOM 925 CE MET C 60 29.699 21.655 8.414 1.00 0.00 C ATOM 0 H MET C 60 25.260 26.360 8.405 1.00 0.00 H new ATOM 0 HA MET C 60 25.369 24.218 6.594 1.00 0.00 H new ATOM 0 HB2 MET C 60 27.331 25.465 7.541 1.00 0.00 H new ATOM 0 HB3 MET C 60 27.006 24.777 9.120 1.00 0.00 H new ATOM 0 HG2 MET C 60 27.073 22.668 7.087 1.00 0.00 H new ATOM 0 HG3 MET C 60 28.549 23.612 7.032 1.00 0.00 H new ATOM 0 HE1 MET C 60 30.216 21.070 9.174 1.00 0.00 H new ATOM 0 HE2 MET C 60 29.343 20.992 7.626 1.00 0.00 H new ATOM 0 HE3 MET C 60 30.387 22.387 7.990 1.00 0.00 H new ATOM 935 N ILE C 61 24.594 23.412 9.705 1.00 0.00 N ATOM 936 CA ILE C 61 24.036 22.352 10.531 1.00 0.00 C ATOM 937 C ILE C 61 22.693 21.900 9.971 1.00 0.00 C ATOM 938 O ILE C 61 22.396 20.713 9.940 1.00 0.00 O ATOM 939 CB ILE C 61 23.860 22.830 11.966 1.00 0.00 C ATOM 940 CG1 ILE C 61 25.236 23.027 12.604 1.00 0.00 C ATOM 941 CG2 ILE C 61 23.071 21.785 12.759 1.00 0.00 C ATOM 942 CD1 ILE C 61 25.076 23.723 13.954 1.00 0.00 C ATOM 0 H ILE C 61 24.747 24.295 10.193 1.00 0.00 H new ATOM 0 HA ILE C 61 24.728 21.510 10.523 1.00 0.00 H new ATOM 0 HB ILE C 61 23.316 23.774 11.974 1.00 0.00 H new ATOM 0 HG12 ILE C 61 25.729 22.064 12.736 1.00 0.00 H new ATOM 0 HG13 ILE C 61 25.871 23.623 11.948 1.00 0.00 H new ATOM 0 HG21 ILE C 61 22.945 22.127 13.786 1.00 0.00 H new ATOM 0 HG22 ILE C 61 22.092 21.643 12.301 1.00 0.00 H new ATOM 0 HG23 ILE C 61 23.613 20.840 12.755 1.00 0.00 H new ATOM 0 HD11 ILE C 61 26.056 23.864 14.409 1.00 0.00 H new ATOM 0 HD12 ILE C 61 24.601 24.693 13.809 1.00 0.00 H new ATOM 0 HD13 ILE C 61 24.457 23.110 14.608 1.00 0.00 H new ATOM 954 N ASP C 62 21.883 22.858 9.538 1.00 0.00 N ATOM 955 CA ASP C 62 20.569 22.541 8.984 1.00 0.00 C ATOM 956 C ASP C 62 20.705 21.633 7.764 1.00 0.00 C ATOM 957 O ASP C 62 19.907 20.718 7.567 1.00 0.00 O ATOM 958 CB ASP C 62 19.850 23.829 8.582 1.00 0.00 C ATOM 959 CG ASP C 62 19.417 24.593 9.827 1.00 0.00 C ATOM 960 OD1 ASP C 62 19.501 24.027 10.905 1.00 0.00 O ATOM 961 OD2 ASP C 62 19.001 25.729 9.681 1.00 0.00 O1- ATOM 0 H ASP C 62 22.108 23.853 9.558 1.00 0.00 H new ATOM 0 HA ASP C 62 19.990 22.021 9.747 1.00 0.00 H new ATOM 0 HB2 ASP C 62 20.510 24.449 7.975 1.00 0.00 H new ATOM 0 HB3 ASP C 62 18.980 23.594 7.969 1.00 0.00 H new ATOM 966 N GLU C 63 21.722 21.895 6.946 1.00 0.00 N ATOM 967 CA GLU C 63 21.949 21.092 5.747 1.00 0.00 C ATOM 968 C GLU C 63 22.229 19.642 6.124 1.00 0.00 C ATOM 969 O GLU C 63 21.732 18.715 5.480 1.00 0.00 O ATOM 970 CB GLU C 63 23.139 21.655 4.969 1.00 0.00 C ATOM 971 CG GLU C 63 22.781 23.034 4.412 1.00 0.00 C ATOM 972 CD GLU C 63 21.780 22.894 3.273 1.00 0.00 C ATOM 973 OE1 GLU C 63 21.562 21.776 2.835 1.00 0.00 O ATOM 974 OE2 GLU C 63 21.248 23.907 2.850 1.00 0.00 O1- ATOM 0 H GLU C 63 22.395 22.648 7.089 1.00 0.00 H new ATOM 0 HA GLU C 63 21.054 21.129 5.126 1.00 0.00 H new ATOM 0 HB2 GLU C 63 24.010 21.729 5.620 1.00 0.00 H new ATOM 0 HB3 GLU C 63 23.406 20.981 4.155 1.00 0.00 H new ATOM 0 HG2 GLU C 63 22.360 23.656 5.202 1.00 0.00 H new ATOM 0 HG3 GLU C 63 23.681 23.536 4.056 1.00 0.00 H new ATOM 981 N VAL C 64 23.021 19.451 7.173 1.00 0.00 N ATOM 982 CA VAL C 64 23.351 18.103 7.633 1.00 0.00 C ATOM 983 C VAL C 64 22.276 17.573 8.580 1.00 0.00 C ATOM 984 O VAL C 64 22.015 16.372 8.631 1.00 0.00 O ATOM 985 CB VAL C 64 24.705 18.110 8.342 1.00 0.00 C ATOM 986 CG1 VAL C 64 24.931 16.762 9.029 1.00 0.00 C ATOM 987 CG2 VAL C 64 25.815 18.349 7.316 1.00 0.00 C ATOM 0 H VAL C 64 23.444 20.203 7.718 1.00 0.00 H new ATOM 0 HA VAL C 64 23.400 17.448 6.763 1.00 0.00 H new ATOM 0 HB VAL C 64 24.719 18.904 9.088 1.00 0.00 H new ATOM 0 HG11 VAL C 64 25.897 16.768 9.534 1.00 0.00 H new ATOM 0 HG12 VAL C 64 24.141 16.589 9.759 1.00 0.00 H new ATOM 0 HG13 VAL C 64 24.917 15.967 8.284 1.00 0.00 H new ATOM 0 HG21 VAL C 64 26.781 18.354 7.820 1.00 0.00 H new ATOM 0 HG22 VAL C 64 25.799 17.554 6.571 1.00 0.00 H new ATOM 0 HG23 VAL C 64 25.656 19.309 6.825 1.00 0.00 H new ATOM 997 N ASP C 65 21.664 18.478 9.332 1.00 0.00 N ATOM 998 CA ASP C 65 20.625 18.101 10.284 1.00 0.00 C ATOM 999 C ASP C 65 19.275 17.986 9.585 1.00 0.00 C ATOM 1000 O ASP C 65 18.757 18.965 9.050 1.00 0.00 O ATOM 1001 CB ASP C 65 20.533 19.139 11.402 1.00 0.00 C ATOM 1002 CG ASP C 65 19.632 18.623 12.518 1.00 0.00 C ATOM 1003 OD1 ASP C 65 19.396 17.427 12.554 1.00 0.00 O ATOM 1004 OD2 ASP C 65 19.192 19.430 13.320 1.00 0.00 O1- ATOM 0 H ASP C 65 21.868 19.477 9.302 1.00 0.00 H new ATOM 0 HA ASP C 65 20.887 17.133 10.710 1.00 0.00 H new ATOM 0 HB2 ASP C 65 21.527 19.352 11.795 1.00 0.00 H new ATOM 0 HB3 ASP C 65 20.139 20.076 11.008 1.00 0.00 H new ATOM 1009 N GLU C 66 18.719 16.780 9.579 1.00 0.00 N ATOM 1010 CA GLU C 66 17.437 16.544 8.933 1.00 0.00 C ATOM 1011 C GLU C 66 16.308 17.171 9.742 1.00 0.00 C ATOM 1012 O GLU C 66 15.319 17.645 9.183 1.00 0.00 O ATOM 1013 CB GLU C 66 17.196 15.040 8.784 1.00 0.00 C ATOM 1014 CG GLU C 66 16.313 14.781 7.563 1.00 0.00 C ATOM 1015 CD GLU C 66 17.096 15.067 6.285 1.00 0.00 C ATOM 1016 OE1 GLU C 66 18.314 15.060 6.348 1.00 0.00 O ATOM 1017 OE2 GLU C 66 16.467 15.295 5.264 1.00 0.00 O1- ATOM 0 H GLU C 66 19.135 15.955 10.012 1.00 0.00 H new ATOM 0 HA GLU C 66 17.456 17.004 7.945 1.00 0.00 H new ATOM 0 HB2 GLU C 66 18.147 14.518 8.675 1.00 0.00 H new ATOM 0 HB3 GLU C 66 16.718 14.647 9.681 1.00 0.00 H new ATOM 0 HG2 GLU C 66 15.969 13.747 7.565 1.00 0.00 H new ATOM 0 HG3 GLU C 66 15.425 15.412 7.605 1.00 0.00 H new ATOM 1024 N ASP C 67 16.456 17.155 11.068 1.00 0.00 N ATOM 1025 CA ASP C 67 15.435 17.723 11.940 1.00 0.00 C ATOM 1026 C ASP C 67 15.585 19.235 12.045 1.00 0.00 C ATOM 1027 O ASP C 67 14.671 19.929 12.492 1.00 0.00 O ATOM 1028 CB ASP C 67 15.552 17.101 13.336 1.00 0.00 C ATOM 1029 CG ASP C 67 17.021 16.892 13.690 1.00 0.00 C ATOM 1030 OD1 ASP C 67 17.607 15.955 13.174 1.00 0.00 O ATOM 1031 OD2 ASP C 67 17.539 17.671 14.473 1.00 0.00 O1- ATOM 0 H ASP C 67 17.262 16.760 11.553 1.00 0.00 H new ATOM 0 HA ASP C 67 14.457 17.502 11.513 1.00 0.00 H new ATOM 0 HB2 ASP C 67 15.080 17.750 14.074 1.00 0.00 H new ATOM 0 HB3 ASP C 67 15.023 16.148 13.365 1.00 0.00 H new ATOM 1036 N GLY C 68 16.735 19.741 11.618 1.00 0.00 N ATOM 1037 CA GLY C 68 16.983 21.178 11.655 1.00 0.00 C ATOM 1038 C GLY C 68 17.035 21.674 13.096 1.00 0.00 C ATOM 1039 O GLY C 68 16.848 22.861 13.359 1.00 0.00 O ATOM 0 H GLY C 68 17.504 19.185 11.245 1.00 0.00 H new ATOM 0 HA2 GLY C 68 17.923 21.404 11.152 1.00 0.00 H new ATOM 0 HA3 GLY C 68 16.197 21.703 11.112 1.00 0.00 H new ATOM 1043 N SER C 69 17.268 20.754 14.025 1.00 0.00 N ATOM 1044 CA SER C 69 17.322 21.109 15.439 1.00 0.00 C ATOM 1045 C SER C 69 18.436 22.119 15.700 1.00 0.00 C ATOM 1046 O SER C 69 18.410 22.843 16.696 1.00 0.00 O ATOM 1047 CB SER C 69 17.558 19.858 16.285 1.00 0.00 C ATOM 1048 OG SER C 69 18.801 19.273 15.920 1.00 0.00 O ATOM 0 H SER C 69 17.421 19.765 13.828 1.00 0.00 H new ATOM 0 HA SER C 69 16.368 21.559 15.714 1.00 0.00 H new ATOM 0 HB2 SER C 69 17.561 20.116 17.344 1.00 0.00 H new ATOM 0 HB3 SER C 69 16.748 19.144 16.133 1.00 0.00 H new ATOM 0 HG SER C 69 18.714 18.839 15.045 1.00 0.00 H new ATOM 1054 N GLY C 70 19.406 22.167 14.796 1.00 0.00 N ATOM 1055 CA GLY C 70 20.519 23.095 14.936 1.00 0.00 C ATOM 1056 C GLY C 70 21.630 22.491 15.783 1.00 0.00 C ATOM 1057 O GLY C 70 22.618 23.156 16.088 1.00 0.00 O ATOM 0 H GLY C 70 19.444 21.578 13.964 1.00 0.00 H new ATOM 0 HA2 GLY C 70 20.908 23.354 13.951 1.00 0.00 H new ATOM 0 HA3 GLY C 70 20.170 24.020 15.394 1.00 0.00 H new ATOM 1061 N THR C 71 21.465 21.224 16.152 1.00 0.00 N ATOM 1062 CA THR C 71 22.465 20.532 16.958 1.00 0.00 C ATOM 1063 C THR C 71 22.839 19.201 16.317 1.00 0.00 C ATOM 1064 O THR C 71 22.035 18.598 15.602 1.00 0.00 O ATOM 1065 CB THR C 71 21.922 20.290 18.369 1.00 0.00 C ATOM 1066 OG1 THR C 71 20.738 19.508 18.290 1.00 0.00 O ATOM 1067 CG2 THR C 71 21.610 21.631 19.039 1.00 0.00 C ATOM 0 H THR C 71 20.652 20.658 15.907 1.00 0.00 H new ATOM 0 HA THR C 71 23.356 21.157 17.016 1.00 0.00 H new ATOM 0 HB THR C 71 22.669 19.760 18.960 1.00 0.00 H new ATOM 0 HG1 THR C 71 20.348 19.594 17.395 1.00 0.00 H new ATOM 0 HG21 THR C 71 21.224 21.455 20.043 1.00 0.00 H new ATOM 0 HG22 THR C 71 22.520 22.228 19.100 1.00 0.00 H new ATOM 0 HG23 THR C 71 20.864 22.166 18.452 1.00 0.00 H new ATOM 1075 N VAL C 72 24.063 18.748 16.585 1.00 0.00 N ATOM 1076 CA VAL C 72 24.542 17.484 16.037 1.00 0.00 C ATOM 1077 C VAL C 72 24.890 16.510 17.156 1.00 0.00 C ATOM 1078 O VAL C 72 25.695 16.821 18.035 1.00 0.00 O ATOM 1079 CB VAL C 72 25.771 17.726 15.161 1.00 0.00 C ATOM 1080 CG1 VAL C 72 26.327 16.385 14.678 1.00 0.00 C ATOM 1081 CG2 VAL C 72 25.375 18.575 13.950 1.00 0.00 C ATOM 0 H VAL C 72 24.737 19.236 17.175 1.00 0.00 H new ATOM 0 HA VAL C 72 23.747 17.049 15.431 1.00 0.00 H new ATOM 0 HB VAL C 72 26.532 18.248 15.741 1.00 0.00 H new ATOM 0 HG11 VAL C 72 27.203 16.558 14.053 1.00 0.00 H new ATOM 0 HG12 VAL C 72 26.609 15.777 15.538 1.00 0.00 H new ATOM 0 HG13 VAL C 72 25.566 15.863 14.098 1.00 0.00 H new ATOM 0 HG21 VAL C 72 26.251 18.748 13.325 1.00 0.00 H new ATOM 0 HG22 VAL C 72 24.614 18.051 13.372 1.00 0.00 H new ATOM 0 HG23 VAL C 72 24.978 19.531 14.290 1.00 0.00 H new ATOM 1091 N ASP C 73 24.281 15.329 17.115 1.00 0.00 N ATOM 1092 CA ASP C 73 24.533 14.311 18.128 1.00 0.00 C ATOM 1093 C ASP C 73 25.458 13.229 17.587 1.00 0.00 C ATOM 1094 O ASP C 73 25.931 13.311 16.456 1.00 0.00 O ATOM 1095 CB ASP C 73 23.214 13.684 18.582 1.00 0.00 C ATOM 1096 CG ASP C 73 22.586 14.522 19.694 1.00 0.00 C ATOM 1097 OD1 ASP C 73 23.319 14.972 20.560 1.00 0.00 O ATOM 1098 OD2 ASP C 73 21.382 14.704 19.661 1.00 0.00 O1- ATOM 0 H ASP C 73 23.613 15.054 16.395 1.00 0.00 H new ATOM 0 HA ASP C 73 25.017 14.789 18.980 1.00 0.00 H new ATOM 0 HB2 ASP C 73 22.527 13.613 17.738 1.00 0.00 H new ATOM 0 HB3 ASP C 73 23.389 12.668 18.937 1.00 0.00 H new ATOM 1103 N PHE C 74 25.717 12.214 18.407 1.00 0.00 N ATOM 1104 CA PHE C 74 26.591 11.124 18.001 1.00 0.00 C ATOM 1105 C PHE C 74 26.052 10.438 16.750 1.00 0.00 C ATOM 1106 O PHE C 74 26.791 10.193 15.800 1.00 0.00 O ATOM 1107 CB PHE C 74 26.712 10.102 19.134 1.00 0.00 C ATOM 1108 CG PHE C 74 27.536 8.927 18.666 1.00 0.00 C ATOM 1109 CD1 PHE C 74 28.926 9.045 18.564 1.00 0.00 C ATOM 1110 CD2 PHE C 74 26.911 7.718 18.339 1.00 0.00 C ATOM 1111 CE1 PHE C 74 29.690 7.955 18.131 1.00 0.00 C ATOM 1112 CE2 PHE C 74 27.676 6.628 17.906 1.00 0.00 C ATOM 1113 CZ PHE C 74 29.066 6.746 17.803 1.00 0.00 C ATOM 0 H PHE C 74 25.336 12.126 19.349 1.00 0.00 H new ATOM 0 HA PHE C 74 27.574 11.538 17.777 1.00 0.00 H new ATOM 0 HB2 PHE C 74 27.178 10.562 20.005 1.00 0.00 H new ATOM 0 HB3 PHE C 74 25.722 9.766 19.442 1.00 0.00 H new ATOM 0 HD1 PHE C 74 29.409 9.976 18.819 1.00 0.00 H new ATOM 0 HD2 PHE C 74 25.838 7.626 18.421 1.00 0.00 H new ATOM 0 HE1 PHE C 74 30.763 8.047 18.050 1.00 0.00 H new ATOM 0 HE2 PHE C 74 27.193 5.696 17.652 1.00 0.00 H new ATOM 0 HZ PHE C 74 29.657 5.905 17.471 1.00 0.00 H new ATOM 1123 N ASP C 75 24.762 10.113 16.765 1.00 0.00 N ATOM 1124 CA ASP C 75 24.146 9.436 15.628 1.00 0.00 C ATOM 1125 C ASP C 75 24.257 10.291 14.369 1.00 0.00 C ATOM 1126 O ASP C 75 24.649 9.797 13.310 1.00 0.00 O ATOM 1127 CB ASP C 75 22.666 9.172 15.930 1.00 0.00 C ATOM 1128 CG ASP C 75 22.535 8.093 16.998 1.00 0.00 C ATOM 1129 OD1 ASP C 75 23.518 7.418 17.253 1.00 0.00 O ATOM 1130 OD2 ASP C 75 21.454 7.960 17.548 1.00 0.00 O1- ATOM 0 H ASP C 75 24.130 10.305 17.542 1.00 0.00 H new ATOM 0 HA ASP C 75 24.667 8.493 15.461 1.00 0.00 H new ATOM 0 HB2 ASP C 75 22.186 10.090 16.269 1.00 0.00 H new ATOM 0 HB3 ASP C 75 22.151 8.860 15.021 1.00 0.00 H new ATOM 1135 N GLU C 76 23.942 11.576 14.494 1.00 0.00 N ATOM 1136 CA GLU C 76 24.037 12.493 13.363 1.00 0.00 C ATOM 1137 C GLU C 76 25.491 12.664 12.931 1.00 0.00 C ATOM 1138 O GLU C 76 25.798 12.691 11.739 1.00 0.00 O ATOM 1139 CB GLU C 76 23.442 13.849 13.732 1.00 0.00 C ATOM 1140 CG GLU C 76 21.919 13.732 13.823 1.00 0.00 C ATOM 1141 CD GLU C 76 21.325 15.041 14.327 1.00 0.00 C ATOM 1142 OE1 GLU C 76 22.017 16.041 14.269 1.00 0.00 O ATOM 1143 OE2 GLU C 76 20.190 15.022 14.771 1.00 0.00 O1- ATOM 0 H GLU C 76 23.620 12.005 15.362 1.00 0.00 H new ATOM 0 HA GLU C 76 23.473 12.071 12.531 1.00 0.00 H new ATOM 0 HB2 GLU C 76 23.849 14.189 14.684 1.00 0.00 H new ATOM 0 HB3 GLU C 76 23.716 14.594 12.984 1.00 0.00 H new ATOM 0 HG2 GLU C 76 21.506 13.489 12.844 1.00 0.00 H new ATOM 0 HG3 GLU C 76 21.648 12.918 14.495 1.00 0.00 H new ATOM 1150 N PHE C 77 26.384 12.747 13.910 1.00 0.00 N ATOM 1151 CA PHE C 77 27.808 12.883 13.627 1.00 0.00 C ATOM 1152 C PHE C 77 28.305 11.688 12.825 1.00 0.00 C ATOM 1153 O PHE C 77 29.032 11.846 11.843 1.00 0.00 O ATOM 1154 CB PHE C 77 28.594 12.990 14.934 1.00 0.00 C ATOM 1155 CG PHE C 77 30.020 12.548 14.704 1.00 0.00 C ATOM 1156 CD1 PHE C 77 30.911 13.371 14.008 1.00 0.00 C ATOM 1157 CD2 PHE C 77 30.446 11.300 15.184 1.00 0.00 C ATOM 1158 CE1 PHE C 77 32.230 12.952 13.795 1.00 0.00 C ATOM 1159 CE2 PHE C 77 31.767 10.880 14.972 1.00 0.00 C ATOM 1160 CZ PHE C 77 32.657 11.706 14.276 1.00 0.00 C ATOM 0 H PHE C 77 26.149 12.723 14.902 1.00 0.00 H new ATOM 0 HA PHE C 77 27.961 13.789 13.041 1.00 0.00 H new ATOM 0 HB2 PHE C 77 28.575 14.017 15.299 1.00 0.00 H new ATOM 0 HB3 PHE C 77 28.130 12.371 15.701 1.00 0.00 H new ATOM 0 HD1 PHE C 77 30.582 14.330 13.635 1.00 0.00 H new ATOM 0 HD2 PHE C 77 29.756 10.663 15.717 1.00 0.00 H new ATOM 0 HE1 PHE C 77 32.919 13.589 13.260 1.00 0.00 H new ATOM 0 HE2 PHE C 77 32.097 9.922 15.345 1.00 0.00 H new ATOM 0 HZ PHE C 77 33.674 11.383 14.109 1.00 0.00 H new ATOM 1170 N LEU C 78 27.918 10.493 13.256 1.00 0.00 N ATOM 1171 CA LEU C 78 28.344 9.279 12.571 1.00 0.00 C ATOM 1172 C LEU C 78 27.866 9.288 11.124 1.00 0.00 C ATOM 1173 O LEU C 78 28.617 8.944 10.209 1.00 0.00 O ATOM 1174 CB LEU C 78 27.777 8.048 13.292 1.00 0.00 C ATOM 1175 CG LEU C 78 28.234 6.771 12.578 1.00 0.00 C ATOM 1176 CD1 LEU C 78 29.761 6.677 12.622 1.00 0.00 C ATOM 1177 CD2 LEU C 78 27.627 5.557 13.275 1.00 0.00 C ATOM 0 H LEU C 78 27.318 10.339 14.066 1.00 0.00 H new ATOM 0 HA LEU C 78 29.433 9.238 12.582 1.00 0.00 H new ATOM 0 HB2 LEU C 78 28.113 8.036 14.329 1.00 0.00 H new ATOM 0 HB3 LEU C 78 26.688 8.095 13.310 1.00 0.00 H new ATOM 0 HG LEU C 78 27.905 6.797 11.539 1.00 0.00 H new ATOM 0 HD11 LEU C 78 30.084 5.768 12.114 1.00 0.00 H new ATOM 0 HD12 LEU C 78 30.193 7.545 12.124 1.00 0.00 H new ATOM 0 HD13 LEU C 78 30.094 6.651 13.660 1.00 0.00 H new ATOM 0 HD21 LEU C 78 27.951 4.647 12.769 1.00 0.00 H new ATOM 0 HD22 LEU C 78 27.957 5.531 14.314 1.00 0.00 H new ATOM 0 HD23 LEU C 78 26.540 5.624 13.241 1.00 0.00 H new ATOM 1189 N VAL C 79 26.612 9.666 10.923 1.00 0.00 N ATOM 1190 CA VAL C 79 26.043 9.707 9.584 1.00 0.00 C ATOM 1191 C VAL C 79 26.774 10.721 8.714 1.00 0.00 C ATOM 1192 O VAL C 79 27.065 10.455 7.549 1.00 0.00 O ATOM 1193 CB VAL C 79 24.556 10.067 9.655 1.00 0.00 C ATOM 1194 CG1 VAL C 79 24.023 10.331 8.245 1.00 0.00 C ATOM 1195 CG2 VAL C 79 23.776 8.910 10.284 1.00 0.00 C ATOM 0 H VAL C 79 25.972 9.947 11.666 1.00 0.00 H new ATOM 0 HA VAL C 79 26.156 8.719 9.137 1.00 0.00 H new ATOM 0 HB VAL C 79 24.432 10.962 10.264 1.00 0.00 H new ATOM 0 HG11 VAL C 79 22.965 10.587 8.298 1.00 0.00 H new ATOM 0 HG12 VAL C 79 24.574 11.158 7.796 1.00 0.00 H new ATOM 0 HG13 VAL C 79 24.150 9.437 7.635 1.00 0.00 H new ATOM 0 HG21 VAL C 79 22.718 9.169 10.333 1.00 0.00 H new ATOM 0 HG22 VAL C 79 23.902 8.013 9.677 1.00 0.00 H new ATOM 0 HG23 VAL C 79 24.151 8.723 11.290 1.00 0.00 H new ATOM 1205 N MET C 80 27.067 11.878 9.287 1.00 0.00 N ATOM 1206 CA MET C 80 27.753 12.930 8.558 1.00 0.00 C ATOM 1207 C MET C 80 29.145 12.468 8.157 1.00 0.00 C ATOM 1208 O MET C 80 29.625 12.776 7.067 1.00 0.00 O ATOM 1209 CB MET C 80 27.853 14.189 9.424 1.00 0.00 C ATOM 1210 CG MET C 80 28.385 15.354 8.578 1.00 0.00 C ATOM 1211 SD MET C 80 28.799 16.751 9.650 1.00 0.00 S ATOM 1212 CE MET C 80 30.447 16.178 10.146 1.00 0.00 C ATOM 0 H MET C 80 26.840 12.111 10.254 1.00 0.00 H new ATOM 0 HA MET C 80 27.184 13.161 7.658 1.00 0.00 H new ATOM 0 HB2 MET C 80 26.874 14.440 9.833 1.00 0.00 H new ATOM 0 HB3 MET C 80 28.515 14.009 10.271 1.00 0.00 H new ATOM 0 HG2 MET C 80 29.267 15.038 8.021 1.00 0.00 H new ATOM 0 HG3 MET C 80 27.636 15.655 7.846 1.00 0.00 H new ATOM 0 HE1 MET C 80 30.583 16.342 11.215 1.00 0.00 H new ATOM 0 HE2 MET C 80 30.544 15.115 9.927 1.00 0.00 H new ATOM 0 HE3 MET C 80 31.206 16.733 9.595 1.00 0.00 H new ATOM 1222 N MET C 81 29.795 11.741 9.057 1.00 0.00 N ATOM 1223 CA MET C 81 31.148 11.259 8.787 1.00 0.00 C ATOM 1224 C MET C 81 31.150 10.291 7.610 1.00 0.00 C ATOM 1225 O MET C 81 31.966 10.410 6.694 1.00 0.00 O ATOM 1226 CB MET C 81 31.709 10.556 10.028 1.00 0.00 C ATOM 1227 CG MET C 81 33.230 10.390 9.892 1.00 0.00 C ATOM 1228 SD MET C 81 33.594 9.071 8.707 1.00 0.00 S ATOM 1229 CE MET C 81 34.873 9.952 7.776 1.00 0.00 C ATOM 0 H MET C 81 29.417 11.474 9.966 1.00 0.00 H new ATOM 0 HA MET C 81 31.774 12.116 8.538 1.00 0.00 H new ATOM 0 HB2 MET C 81 31.476 11.135 10.921 1.00 0.00 H new ATOM 0 HB3 MET C 81 31.237 9.581 10.149 1.00 0.00 H new ATOM 0 HG2 MET C 81 33.680 11.326 9.559 1.00 0.00 H new ATOM 0 HG3 MET C 81 33.668 10.153 10.861 1.00 0.00 H new ATOM 0 HE1 MET C 81 35.297 9.288 7.023 1.00 0.00 H new ATOM 0 HE2 MET C 81 34.433 10.821 7.287 1.00 0.00 H new ATOM 0 HE3 MET C 81 35.659 10.278 8.457 1.00 0.00 H new ATOM 1239 N VAL C 82 30.224 9.340 7.636 1.00 0.00 N ATOM 1240 CA VAL C 82 30.116 8.362 6.562 1.00 0.00 C ATOM 1241 C VAL C 82 29.682 9.036 5.265 1.00 0.00 C ATOM 1242 O VAL C 82 30.188 8.714 4.189 1.00 0.00 O ATOM 1243 CB VAL C 82 29.110 7.274 6.940 1.00 0.00 C ATOM 1244 CG1 VAL C 82 28.860 6.365 5.735 1.00 0.00 C ATOM 1245 CG2 VAL C 82 29.670 6.443 8.097 1.00 0.00 C ATOM 0 H VAL C 82 29.541 9.226 8.385 1.00 0.00 H new ATOM 0 HA VAL C 82 31.096 7.908 6.411 1.00 0.00 H new ATOM 0 HB VAL C 82 28.172 7.738 7.244 1.00 0.00 H new ATOM 0 HG11 VAL C 82 28.143 5.590 6.006 1.00 0.00 H new ATOM 0 HG12 VAL C 82 28.461 6.956 4.910 1.00 0.00 H new ATOM 0 HG13 VAL C 82 29.797 5.901 5.429 1.00 0.00 H new ATOM 0 HG21 VAL C 82 28.954 5.667 8.368 1.00 0.00 H new ATOM 0 HG22 VAL C 82 30.609 5.980 7.792 1.00 0.00 H new ATOM 0 HG23 VAL C 82 29.847 7.089 8.957 1.00 0.00 H new ATOM 1255 N ARG C 83 28.720 9.959 5.370 1.00 0.00 N ATOM 1256 CA ARG C 83 28.213 10.649 4.199 1.00 0.00 C ATOM 1257 C ARG C 83 29.326 11.429 3.509 1.00 0.00 C ATOM 1258 O ARG C 83 29.447 11.403 2.286 1.00 0.00 O ATOM 1259 CB ARG C 83 27.097 11.612 4.612 1.00 0.00 C ATOM 1260 CG ARG C 83 26.442 12.198 3.361 1.00 0.00 C ATOM 1261 CD ARG C 83 25.293 13.114 3.775 1.00 0.00 C ATOM 1262 NE ARG C 83 24.591 13.612 2.593 1.00 0.00 N ATOM 1263 CZ ARG C 83 25.048 14.655 1.907 1.00 0.00 C ATOM 1264 NH1 ARG C 83 26.141 15.256 2.288 1.00 0.00 N ATOM 1265 NH2 ARG C 83 24.404 15.076 0.852 1.00 0.00 N1+ ATOM 0 H ARG C 83 28.286 10.238 6.250 1.00 0.00 H new ATOM 0 HA ARG C 83 27.822 9.907 3.503 1.00 0.00 H new ATOM 0 HB2 ARG C 83 26.354 11.088 5.213 1.00 0.00 H new ATOM 0 HB3 ARG C 83 27.503 12.412 5.232 1.00 0.00 H new ATOM 0 HG2 ARG C 83 27.176 12.756 2.780 1.00 0.00 H new ATOM 0 HG3 ARG C 83 26.071 11.397 2.721 1.00 0.00 H new ATOM 0 HD2 ARG C 83 24.599 12.571 4.417 1.00 0.00 H new ATOM 0 HD3 ARG C 83 25.678 13.951 4.358 1.00 0.00 H new ATOM 0 HE ARG C 83 23.734 13.150 2.289 1.00 0.00 H new ATOM 0 HH11 ARG C 83 26.644 14.926 3.111 1.00 0.00 H new ATOM 0 HH12 ARG C 83 26.493 16.056 1.762 1.00 0.00 H new ATOM 0 HH21 ARG C 83 23.550 14.605 0.554 1.00 0.00 H new ATOM 0 HH22 ARG C 83 24.755 15.876 0.326 1.00 0.00 H new ATOM 1279 N CYS C 84 30.133 12.130 4.301 1.00 0.00 N ATOM 1280 CA CYS C 84 31.225 12.920 3.751 1.00 0.00 C ATOM 1281 C CYS C 84 32.237 12.026 3.043 1.00 0.00 C ATOM 1282 O CYS C 84 32.746 12.371 1.977 1.00 0.00 O ATOM 1283 CB CYS C 84 31.923 13.696 4.872 1.00 0.00 C ATOM 1284 SG CYS C 84 30.827 15.003 5.474 1.00 0.00 S ATOM 0 H CYS C 84 30.051 12.166 5.317 1.00 0.00 H new ATOM 0 HA CYS C 84 30.810 13.620 3.026 1.00 0.00 H new ATOM 0 HB2 CYS C 84 32.184 13.022 5.687 1.00 0.00 H new ATOM 0 HB3 CYS C 84 32.854 14.128 4.505 1.00 0.00 H new ATOM 0 HG CYS C 84 29.830 14.471 6.116 1.00 0.00 H new ATOM 1290 N MET C 85 32.540 10.881 3.653 1.00 0.00 N ATOM 1291 CA MET C 85 33.508 9.957 3.077 1.00 0.00 C ATOM 1292 C MET C 85 32.977 9.367 1.770 1.00 0.00 C ATOM 1293 O MET C 85 33.697 9.293 0.775 1.00 0.00 O ATOM 1294 CB MET C 85 33.796 8.826 4.067 1.00 0.00 C ATOM 1295 CG MET C 85 35.162 8.212 3.757 1.00 0.00 C ATOM 1296 SD MET C 85 36.464 9.347 4.299 1.00 0.00 S ATOM 1297 CE MET C 85 37.874 8.303 3.860 1.00 0.00 C ATOM 0 H MET C 85 32.132 10.576 4.537 1.00 0.00 H new ATOM 0 HA MET C 85 34.427 10.505 2.868 1.00 0.00 H new ATOM 0 HB2 MET C 85 33.781 9.209 5.087 1.00 0.00 H new ATOM 0 HB3 MET C 85 33.019 8.064 4.001 1.00 0.00 H new ATOM 0 HG2 MET C 85 35.266 7.252 4.264 1.00 0.00 H new ATOM 0 HG3 MET C 85 35.253 8.020 2.688 1.00 0.00 H new ATOM 0 HE1 MET C 85 38.801 8.818 4.113 1.00 0.00 H new ATOM 0 HE2 MET C 85 37.818 7.365 4.412 1.00 0.00 H new ATOM 0 HE3 MET C 85 37.855 8.097 2.790 1.00 0.00 H new ATOM 1307 N LYS C 86 31.710 8.959 1.774 1.00 0.00 N ATOM 1308 CA LYS C 86 31.093 8.392 0.589 1.00 0.00 C ATOM 1309 C LYS C 86 31.057 9.411 -0.540 1.00 0.00 C ATOM 1310 O LYS C 86 31.282 9.068 -1.700 1.00 0.00 O ATOM 1311 CB LYS C 86 29.676 7.919 0.915 1.00 0.00 C ATOM 1312 CG LYS C 86 29.031 7.352 -0.345 1.00 0.00 C ATOM 1313 CD LYS C 86 27.717 6.655 0.017 1.00 0.00 C ATOM 1314 CE LYS C 86 26.962 6.279 -1.260 1.00 0.00 C ATOM 1315 NZ LYS C 86 27.798 5.360 -2.082 1.00 0.00 N1+ ATOM 0 H LYS C 86 31.095 9.013 2.586 1.00 0.00 H new ATOM 0 HA LYS C 86 31.689 7.540 0.263 1.00 0.00 H new ATOM 0 HB2 LYS C 86 29.705 7.159 1.696 1.00 0.00 H new ATOM 0 HB3 LYS C 86 29.083 8.749 1.299 1.00 0.00 H new ATOM 0 HG2 LYS C 86 28.844 8.152 -1.061 1.00 0.00 H new ATOM 0 HG3 LYS C 86 29.708 6.646 -0.826 1.00 0.00 H new ATOM 0 HD2 LYS C 86 27.919 5.761 0.608 1.00 0.00 H new ATOM 0 HD3 LYS C 86 27.104 7.312 0.633 1.00 0.00 H new ATOM 0 HE2 LYS C 86 26.016 5.799 -1.008 1.00 0.00 H new ATOM 0 HE3 LYS C 86 26.722 7.176 -1.830 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 27.206 4.907 -2.807 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 28.557 5.901 -2.543 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 28.215 4.630 -1.470 1.00 0.00 H new ATOM 1508 N ALA I 152 41.325 18.524 5.078 1.00 0.00 N ATOM 1509 CA ALA I 152 41.692 19.454 6.140 1.00 0.00 C ATOM 1510 C ALA I 152 41.151 18.974 7.483 1.00 0.00 C ATOM 1511 O ALA I 152 41.831 19.059 8.505 1.00 0.00 O ATOM 1512 CB ALA I 152 41.132 20.844 5.829 1.00 0.00 C ATOM 0 HA ALA I 152 42.779 19.503 6.197 1.00 0.00 H new ATOM 0 HB1 ALA I 152 41.409 21.535 6.626 1.00 0.00 H new ATOM 0 HB2 ALA I 152 41.542 21.198 4.883 1.00 0.00 H new ATOM 0 HB3 ALA I 152 40.046 20.791 5.757 1.00 0.00 H new ATOM 1518 N MET I 153 39.924 18.468 7.475 1.00 0.00 N ATOM 1519 CA MET I 153 39.305 17.971 8.697 1.00 0.00 C ATOM 1520 C MET I 153 40.078 16.779 9.251 1.00 0.00 C ATOM 1521 O MET I 153 40.302 16.677 10.458 1.00 0.00 O ATOM 1522 CB MET I 153 37.855 17.568 8.424 1.00 0.00 C ATOM 1523 CG MET I 153 37.214 17.060 9.716 1.00 0.00 C ATOM 1524 SD MET I 153 35.418 17.260 9.621 1.00 0.00 S ATOM 1525 CE MET I 153 35.353 18.973 10.207 1.00 0.00 C ATOM 0 H MET I 153 39.341 18.391 6.642 1.00 0.00 H new ATOM 0 HA MET I 153 39.323 18.770 9.439 1.00 0.00 H new ATOM 0 HB2 MET I 153 37.296 18.421 8.039 1.00 0.00 H new ATOM 0 HB3 MET I 153 37.820 16.792 7.659 1.00 0.00 H new ATOM 0 HG2 MET I 153 37.466 16.011 9.871 1.00 0.00 H new ATOM 0 HG3 MET I 153 37.607 17.611 10.570 1.00 0.00 H new ATOM 0 HE1 MET I 153 34.317 19.311 10.229 1.00 0.00 H new ATOM 0 HE2 MET I 153 35.775 19.031 11.210 1.00 0.00 H new ATOM 0 HE3 MET I 153 35.928 19.610 9.535 1.00 0.00 H new ATOM 1535 N MET I 154 40.471 15.872 8.361 1.00 0.00 N ATOM 1536 CA MET I 154 41.205 14.682 8.772 1.00 0.00 C ATOM 1537 C MET I 154 42.500 15.073 9.474 1.00 0.00 C ATOM 1538 O MET I 154 42.900 14.435 10.439 1.00 0.00 O ATOM 1539 CB MET I 154 41.528 13.823 7.550 1.00 0.00 C ATOM 1540 CG MET I 154 40.413 12.799 7.335 1.00 0.00 C ATOM 1541 SD MET I 154 38.806 13.620 7.478 1.00 0.00 S ATOM 1542 CE MET I 154 37.796 12.124 7.598 1.00 0.00 C ATOM 0 H MET I 154 40.295 15.938 7.359 1.00 0.00 H new ATOM 0 HA MET I 154 40.584 14.113 9.464 1.00 0.00 H new ATOM 0 HB2 MET I 154 41.632 14.453 6.667 1.00 0.00 H new ATOM 0 HB3 MET I 154 42.481 13.314 7.692 1.00 0.00 H new ATOM 0 HG2 MET I 154 40.512 12.338 6.352 1.00 0.00 H new ATOM 0 HG3 MET I 154 40.492 11.999 8.071 1.00 0.00 H new ATOM 0 HE1 MET I 154 36.746 12.401 7.695 1.00 0.00 H new ATOM 0 HE2 MET I 154 37.931 11.521 6.700 1.00 0.00 H new ATOM 0 HE3 MET I 154 38.102 11.548 8.471 1.00 0.00 H new ATOM 1552 N GLN I 155 43.144 16.124 8.986 1.00 0.00 N ATOM 1553 CA GLN I 155 44.386 16.599 9.589 1.00 0.00 C ATOM 1554 C GLN I 155 44.114 17.274 10.930 1.00 0.00 C ATOM 1555 O GLN I 155 44.922 17.189 11.855 1.00 0.00 O ATOM 1556 CB GLN I 155 45.081 17.581 8.647 1.00 0.00 C ATOM 1557 CG GLN I 155 46.118 16.835 7.805 1.00 0.00 C ATOM 1558 CD GLN I 155 45.462 15.670 7.074 1.00 0.00 C ATOM 1559 OE1 GLN I 155 44.535 15.870 6.294 1.00 0.00 O ATOM 1560 NE2 GLN I 155 45.892 14.456 7.280 1.00 0.00 N ATOM 0 H GLN I 155 42.831 16.663 8.179 1.00 0.00 H new ATOM 0 HA GLN I 155 45.035 15.740 9.759 1.00 0.00 H new ATOM 0 HB2 GLN I 155 44.347 18.060 7.999 1.00 0.00 H new ATOM 0 HB3 GLN I 155 45.564 18.372 9.221 1.00 0.00 H new ATOM 0 HG2 GLN I 155 46.571 17.517 7.085 1.00 0.00 H new ATOM 0 HG3 GLN I 155 46.920 16.467 8.445 1.00 0.00 H new ATOM 0 HE21 GLN I 155 46.662 14.291 7.928 1.00 0.00 H new ATOM 0 HE22 GLN I 155 45.458 13.672 6.793 1.00 0.00 H new ATOM 1569 N ALA I 156 42.973 17.947 11.025 1.00 0.00 N ATOM 1570 CA ALA I 156 42.604 18.638 12.255 1.00 0.00 C ATOM 1571 C ALA I 156 42.506 17.651 13.411 1.00 0.00 C ATOM 1572 O ALA I 156 42.905 17.959 14.533 1.00 0.00 O ATOM 1573 CB ALA I 156 41.262 19.351 12.073 1.00 0.00 C ATOM 0 H ALA I 156 42.291 18.029 10.271 1.00 0.00 H new ATOM 0 HA ALA I 156 43.375 19.373 12.483 1.00 0.00 H new ATOM 0 HB1 ALA I 156 40.994 19.864 12.997 1.00 0.00 H new ATOM 0 HB2 ALA I 156 41.343 20.077 11.264 1.00 0.00 H new ATOM 0 HB3 ALA I 156 40.492 18.620 11.828 1.00 0.00 H new