USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 69 SER OG : rot -64:sc= 2.55 USER MOD Set 1.2: C 71 THR OG1 : rot -22:sc= 0.178 USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 13 THR OG1 : rot 180:sc= -0.0985 USER MOD Single : C 16 GLN : amide:sc= -0.996 K(o=-1,f=-2.1!) USER MOD Single : C 17 LYS NZ :NH3+ -146:sc= -0.226 (180deg=-0.972) USER MOD Single : C 18 ASN : amide:sc= -1.74! C(o=-1.7!,f=-3!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 180:sc= -0.0125 USER MOD Single : C 37 SER OG : rot 180:sc= -0.688 USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 39 LYS NZ :NH3+ 160:sc= -0.107 (180deg=-0.565) USER MOD Single : C 43 LYS NZ :NH3+ 146:sc= -0.131 (180deg=-0.769) USER MOD Single : C 45 MET CE :methyl 178:sc= 0 (180deg=-0.0105) USER MOD Single : C 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 50 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.13) USER MOD Single : C 51 ASN : amide:sc= -2.07! C(o=-2.1!,f=-8.1!) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.384 USER MOD Single : C 58 GLN : amide:sc= -3.37! C(o=-3.4!,f=-4.3!) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 80 MET CE :methyl -116:sc= -0.0114 (180deg=-0.223) USER MOD Single : C 81 MET CE :methyl 180:sc= -0.125 (180deg=-0.125) USER MOD Single : C 84 CYS SG : rot 103:sc= 0.953 USER MOD Single : C 85 MET CE :methyl -125:sc=-0.00251 (180deg=-0.239) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 153 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 154 MET CE :methyl -117:sc= 0 (180deg=-0.0885) USER MOD Single : I 155 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 106 N ALA C 7 23.998 0.758 5.719 1.00 0.00 N ATOM 107 CA ALA C 7 24.873 -0.410 5.720 1.00 0.00 C ATOM 108 C ALA C 7 26.328 0.016 5.639 1.00 0.00 C ATOM 109 O ALA C 7 27.199 -0.604 6.250 1.00 0.00 O ATOM 110 CB ALA C 7 24.542 -1.321 4.536 1.00 0.00 C ATOM 0 HA ALA C 7 24.713 -0.955 6.650 1.00 0.00 H new ATOM 0 HB1 ALA C 7 25.202 -2.188 4.549 1.00 0.00 H new ATOM 0 HB2 ALA C 7 23.506 -1.652 4.610 1.00 0.00 H new ATOM 0 HB3 ALA C 7 24.682 -0.772 3.605 1.00 0.00 H new ATOM 116 N ALA C 8 26.597 1.070 4.883 1.00 0.00 N ATOM 117 CA ALA C 8 27.967 1.538 4.744 1.00 0.00 C ATOM 118 C ALA C 8 28.507 1.968 6.099 1.00 0.00 C ATOM 119 O ALA C 8 29.642 1.653 6.461 1.00 0.00 O ATOM 120 CB ALA C 8 28.023 2.707 3.766 1.00 0.00 C ATOM 0 H ALA C 8 25.901 1.608 4.366 1.00 0.00 H new ATOM 0 HA ALA C 8 28.582 0.725 4.358 1.00 0.00 H new ATOM 0 HB1 ALA C 8 29.053 3.051 3.668 1.00 0.00 H new ATOM 0 HB2 ALA C 8 27.654 2.385 2.792 1.00 0.00 H new ATOM 0 HB3 ALA C 8 27.402 3.522 4.137 1.00 0.00 H new ATOM 126 N VAL C 9 27.679 2.674 6.850 1.00 0.00 N ATOM 127 CA VAL C 9 28.071 3.134 8.172 1.00 0.00 C ATOM 128 C VAL C 9 28.366 1.950 9.084 1.00 0.00 C ATOM 129 O VAL C 9 29.389 1.921 9.770 1.00 0.00 O ATOM 130 CB VAL C 9 26.945 3.967 8.766 1.00 0.00 C ATOM 131 CG1 VAL C 9 27.239 4.248 10.237 1.00 0.00 C ATOM 132 CG2 VAL C 9 26.846 5.291 8.018 1.00 0.00 C ATOM 0 H VAL C 9 26.735 2.940 6.569 1.00 0.00 H new ATOM 0 HA VAL C 9 28.974 3.738 8.084 1.00 0.00 H new ATOM 0 HB VAL C 9 26.006 3.420 8.677 1.00 0.00 H new ATOM 0 HG11 VAL C 9 26.432 4.845 10.662 1.00 0.00 H new ATOM 0 HG12 VAL C 9 27.317 3.305 10.779 1.00 0.00 H new ATOM 0 HG13 VAL C 9 28.178 4.795 10.322 1.00 0.00 H new ATOM 0 HG21 VAL C 9 26.040 5.889 8.442 1.00 0.00 H new ATOM 0 HG22 VAL C 9 27.787 5.833 8.111 1.00 0.00 H new ATOM 0 HG23 VAL C 9 26.640 5.099 6.965 1.00 0.00 H new ATOM 142 N GLU C 10 27.470 0.969 9.075 1.00 0.00 N ATOM 143 CA GLU C 10 27.651 -0.221 9.897 1.00 0.00 C ATOM 144 C GLU C 10 28.814 -1.050 9.372 1.00 0.00 C ATOM 145 O GLU C 10 29.484 -1.751 10.129 1.00 0.00 O ATOM 146 CB GLU C 10 26.375 -1.065 9.912 1.00 0.00 C ATOM 147 CG GLU C 10 25.292 -0.334 10.708 1.00 0.00 C ATOM 148 CD GLU C 10 23.976 -1.101 10.629 1.00 0.00 C ATOM 149 OE1 GLU C 10 23.821 -1.881 9.704 1.00 0.00 O ATOM 150 OE2 GLU C 10 23.147 -0.904 11.502 1.00 0.00 O1- ATOM 0 H GLU C 10 26.619 0.974 8.513 1.00 0.00 H new ATOM 0 HA GLU C 10 27.871 0.096 10.916 1.00 0.00 H new ATOM 0 HB2 GLU C 10 26.033 -1.246 8.893 1.00 0.00 H new ATOM 0 HB3 GLU C 10 26.575 -2.039 10.359 1.00 0.00 H new ATOM 0 HG2 GLU C 10 25.601 -0.232 11.748 1.00 0.00 H new ATOM 0 HG3 GLU C 10 25.159 0.674 10.315 1.00 0.00 H new ATOM 157 N GLN C 11 29.042 -0.966 8.066 1.00 0.00 N ATOM 158 CA GLN C 11 30.124 -1.719 7.440 1.00 0.00 C ATOM 159 C GLN C 11 31.478 -1.293 8.009 1.00 0.00 C ATOM 160 O GLN C 11 32.364 -2.126 8.195 1.00 0.00 O ATOM 161 CB GLN C 11 30.116 -1.492 5.925 1.00 0.00 C ATOM 162 CG GLN C 11 31.170 -2.387 5.268 1.00 0.00 C ATOM 163 CD GLN C 11 31.147 -2.193 3.758 1.00 0.00 C ATOM 164 OE1 GLN C 11 31.469 -1.113 3.264 1.00 0.00 O ATOM 165 NE2 GLN C 11 30.771 -3.180 2.992 1.00 0.00 N ATOM 0 H GLN C 11 28.498 -0.389 7.424 1.00 0.00 H new ATOM 0 HA GLN C 11 29.968 -2.777 7.651 1.00 0.00 H new ATOM 0 HB2 GLN C 11 29.130 -1.715 5.518 1.00 0.00 H new ATOM 0 HB3 GLN C 11 30.323 -0.445 5.702 1.00 0.00 H new ATOM 0 HG2 GLN C 11 32.159 -2.147 5.659 1.00 0.00 H new ATOM 0 HG3 GLN C 11 30.976 -3.431 5.512 1.00 0.00 H new ATOM 0 HE21 GLN C 11 30.505 -4.074 3.405 1.00 0.00 H new ATOM 0 HE22 GLN C 11 30.743 -3.058 1.980 1.00 0.00 H new ATOM 174 N LEU C 12 31.629 0.001 8.275 1.00 0.00 N ATOM 175 CA LEU C 12 32.881 0.525 8.817 1.00 0.00 C ATOM 176 C LEU C 12 33.478 -0.446 9.829 1.00 0.00 C ATOM 177 O LEU C 12 32.757 -1.078 10.600 1.00 0.00 O ATOM 178 CB LEU C 12 32.621 1.866 9.506 1.00 0.00 C ATOM 179 CG LEU C 12 32.023 2.857 8.505 1.00 0.00 C ATOM 180 CD1 LEU C 12 31.695 4.169 9.218 1.00 0.00 C ATOM 181 CD2 LEU C 12 33.020 3.130 7.373 1.00 0.00 C ATOM 0 H LEU C 12 30.905 0.704 8.126 1.00 0.00 H new ATOM 0 HA LEU C 12 33.584 0.657 7.994 1.00 0.00 H new ATOM 0 HB2 LEU C 12 31.940 1.728 10.346 1.00 0.00 H new ATOM 0 HB3 LEU C 12 33.551 2.263 9.912 1.00 0.00 H new ATOM 0 HG LEU C 12 31.113 2.429 8.084 1.00 0.00 H new ATOM 0 HD11 LEU C 12 31.269 4.874 8.504 1.00 0.00 H new ATOM 0 HD12 LEU C 12 30.976 3.980 10.015 1.00 0.00 H new ATOM 0 HD13 LEU C 12 32.606 4.589 9.644 1.00 0.00 H new ATOM 0 HD21 LEU C 12 32.584 3.836 6.667 1.00 0.00 H new ATOM 0 HD22 LEU C 12 33.936 3.551 7.788 1.00 0.00 H new ATOM 0 HD23 LEU C 12 33.250 2.197 6.858 1.00 0.00 H new ATOM 193 N THR C 13 34.801 -0.563 9.814 1.00 0.00 N ATOM 194 CA THR C 13 35.490 -1.462 10.724 1.00 0.00 C ATOM 195 C THR C 13 35.476 -0.915 12.139 1.00 0.00 C ATOM 196 O THR C 13 35.211 0.266 12.359 1.00 0.00 O ATOM 197 CB THR C 13 36.934 -1.666 10.277 1.00 0.00 C ATOM 198 OG1 THR C 13 37.615 -0.420 10.304 1.00 0.00 O ATOM 199 CG2 THR C 13 36.950 -2.234 8.863 1.00 0.00 C ATOM 0 H THR C 13 35.414 -0.047 9.183 1.00 0.00 H new ATOM 0 HA THR C 13 34.966 -2.418 10.709 1.00 0.00 H new ATOM 0 HB THR C 13 37.433 -2.363 10.950 1.00 0.00 H new ATOM 0 HG1 THR C 13 38.544 -0.549 10.019 1.00 0.00 H new ATOM 0 HG21 THR C 13 37.981 -2.381 8.541 1.00 0.00 H new ATOM 0 HG22 THR C 13 36.426 -3.190 8.849 1.00 0.00 H new ATOM 0 HG23 THR C 13 36.454 -1.538 8.186 1.00 0.00 H new ATOM 207 N GLU C 14 35.758 -1.786 13.095 1.00 0.00 N ATOM 208 CA GLU C 14 35.774 -1.385 14.489 1.00 0.00 C ATOM 209 C GLU C 14 36.877 -0.370 14.745 1.00 0.00 C ATOM 210 O GLU C 14 36.725 0.535 15.564 1.00 0.00 O ATOM 211 CB GLU C 14 35.964 -2.614 15.383 1.00 0.00 C ATOM 212 CG GLU C 14 37.285 -3.305 15.034 1.00 0.00 C ATOM 213 CD GLU C 14 37.426 -4.595 15.836 1.00 0.00 C ATOM 214 OE1 GLU C 14 36.499 -4.929 16.554 1.00 0.00 O ATOM 215 OE2 GLU C 14 38.462 -5.231 15.719 1.00 0.00 O1- ATOM 0 H GLU C 14 35.977 -2.769 12.931 1.00 0.00 H new ATOM 0 HA GLU C 14 34.819 -0.916 14.727 1.00 0.00 H new ATOM 0 HB2 GLU C 14 35.964 -2.317 16.432 1.00 0.00 H new ATOM 0 HB3 GLU C 14 35.133 -3.306 15.248 1.00 0.00 H new ATOM 0 HG2 GLU C 14 37.319 -3.525 13.967 1.00 0.00 H new ATOM 0 HG3 GLU C 14 38.121 -2.640 15.249 1.00 0.00 H new ATOM 222 N GLU C 15 37.979 -0.522 14.033 1.00 0.00 N ATOM 223 CA GLU C 15 39.102 0.395 14.188 1.00 0.00 C ATOM 224 C GLU C 15 38.735 1.793 13.711 1.00 0.00 C ATOM 225 O GLU C 15 39.056 2.781 14.368 1.00 0.00 O ATOM 226 CB GLU C 15 40.305 -0.111 13.391 1.00 0.00 C ATOM 227 CG GLU C 15 40.850 -1.390 14.030 1.00 0.00 C ATOM 228 CD GLU C 15 42.044 -1.898 13.227 1.00 0.00 C ATOM 229 OE1 GLU C 15 43.052 -1.213 13.203 1.00 0.00 O ATOM 230 OE2 GLU C 15 41.928 -2.964 12.643 1.00 0.00 O1- ATOM 0 H GLU C 15 38.124 -1.263 13.347 1.00 0.00 H new ATOM 0 HA GLU C 15 39.355 0.441 15.247 1.00 0.00 H new ATOM 0 HB2 GLU C 15 40.013 -0.305 12.359 1.00 0.00 H new ATOM 0 HB3 GLU C 15 41.082 0.653 13.364 1.00 0.00 H new ATOM 0 HG2 GLU C 15 41.149 -1.195 15.060 1.00 0.00 H new ATOM 0 HG3 GLU C 15 40.071 -2.152 14.063 1.00 0.00 H new ATOM 237 N GLN C 16 38.058 1.879 12.572 1.00 0.00 N ATOM 238 CA GLN C 16 37.666 3.179 12.046 1.00 0.00 C ATOM 239 C GLN C 16 36.692 3.857 13.002 1.00 0.00 C ATOM 240 O GLN C 16 36.790 5.057 13.265 1.00 0.00 O ATOM 241 CB GLN C 16 37.028 3.005 10.669 1.00 0.00 C ATOM 242 CG GLN C 16 38.106 2.612 9.654 1.00 0.00 C ATOM 243 CD GLN C 16 39.039 3.790 9.392 1.00 0.00 C ATOM 244 OE1 GLN C 16 40.153 3.831 9.915 1.00 0.00 O ATOM 245 NE2 GLN C 16 38.651 4.751 8.600 1.00 0.00 N ATOM 0 H GLN C 16 37.774 1.080 12.005 1.00 0.00 H new ATOM 0 HA GLN C 16 38.550 3.809 11.948 1.00 0.00 H new ATOM 0 HB2 GLN C 16 36.254 2.239 10.709 1.00 0.00 H new ATOM 0 HB3 GLN C 16 36.543 3.932 10.361 1.00 0.00 H new ATOM 0 HG2 GLN C 16 38.677 1.763 10.030 1.00 0.00 H new ATOM 0 HG3 GLN C 16 37.639 2.294 8.722 1.00 0.00 H new ATOM 0 HE21 GLN C 16 37.728 4.714 8.168 1.00 0.00 H new ATOM 0 HE22 GLN C 16 39.271 5.539 8.413 1.00 0.00 H new ATOM 254 N LYS C 17 35.764 3.071 13.535 1.00 0.00 N ATOM 255 CA LYS C 17 34.784 3.592 14.480 1.00 0.00 C ATOM 256 C LYS C 17 35.465 4.075 15.743 1.00 0.00 C ATOM 257 O LYS C 17 35.091 5.103 16.308 1.00 0.00 O ATOM 258 CB LYS C 17 33.758 2.510 14.820 1.00 0.00 C ATOM 259 CG LYS C 17 32.827 2.289 13.623 1.00 0.00 C ATOM 260 CD LYS C 17 31.639 3.252 13.710 1.00 0.00 C ATOM 261 CE LYS C 17 30.508 2.592 14.499 1.00 0.00 C ATOM 262 NZ LYS C 17 29.990 1.418 13.740 1.00 0.00 N1+ ATOM 0 H LYS C 17 35.670 2.076 13.330 1.00 0.00 H new ATOM 0 HA LYS C 17 34.273 4.437 14.018 1.00 0.00 H new ATOM 0 HB2 LYS C 17 34.266 1.580 15.075 1.00 0.00 H new ATOM 0 HB3 LYS C 17 33.178 2.806 15.694 1.00 0.00 H new ATOM 0 HG2 LYS C 17 33.371 2.450 12.692 1.00 0.00 H new ATOM 0 HG3 LYS C 17 32.472 1.258 13.611 1.00 0.00 H new ATOM 0 HD2 LYS C 17 31.943 4.179 14.195 1.00 0.00 H new ATOM 0 HD3 LYS C 17 31.295 3.514 12.709 1.00 0.00 H new ATOM 0 HE2 LYS C 17 30.870 2.275 15.477 1.00 0.00 H new ATOM 0 HE3 LYS C 17 29.705 3.309 14.673 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 28.967 1.323 13.903 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 30.167 1.556 12.724 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 30.474 0.556 14.062 1.00 0.00 H new ATOM 276 N ASN C 18 36.459 3.336 16.197 1.00 0.00 N ATOM 277 CA ASN C 18 37.152 3.728 17.401 1.00 0.00 C ATOM 278 C ASN C 18 37.867 5.062 17.215 1.00 0.00 C ATOM 279 O ASN C 18 37.897 5.891 18.125 1.00 0.00 O ATOM 280 CB ASN C 18 38.155 2.651 17.812 1.00 0.00 C ATOM 281 CG ASN C 18 37.417 1.410 18.307 1.00 0.00 C ATOM 282 OD1 ASN C 18 37.608 0.319 17.773 1.00 0.00 O ATOM 283 ND2 ASN C 18 36.575 1.516 19.300 1.00 0.00 N ATOM 0 H ASN C 18 36.797 2.479 15.759 1.00 0.00 H new ATOM 0 HA ASN C 18 36.410 3.845 18.191 1.00 0.00 H new ATOM 0 HB2 ASN C 18 38.790 2.392 16.965 1.00 0.00 H new ATOM 0 HB3 ASN C 18 38.809 3.032 18.596 1.00 0.00 H new ATOM 0 HD21 ASN C 18 36.074 0.693 19.634 1.00 0.00 H new ATOM 0 HD22 ASN C 18 36.418 2.422 19.741 1.00 0.00 H new ATOM 290 N GLU C 19 38.452 5.260 16.037 1.00 0.00 N ATOM 291 CA GLU C 19 39.178 6.495 15.750 1.00 0.00 C ATOM 292 C GLU C 19 38.257 7.712 15.805 1.00 0.00 C ATOM 293 O GLU C 19 38.632 8.766 16.321 1.00 0.00 O ATOM 294 CB GLU C 19 39.818 6.399 14.362 1.00 0.00 C ATOM 295 CG GLU C 19 40.985 5.407 14.399 1.00 0.00 C ATOM 296 CD GLU C 19 41.592 5.259 13.006 1.00 0.00 C ATOM 297 OE1 GLU C 19 40.859 4.907 12.097 1.00 0.00 O ATOM 298 OE2 GLU C 19 42.780 5.500 12.871 1.00 0.00 O1- ATOM 0 H GLU C 19 38.439 4.587 15.270 1.00 0.00 H new ATOM 0 HA GLU C 19 39.948 6.620 16.511 1.00 0.00 H new ATOM 0 HB2 GLU C 19 39.077 6.076 13.631 1.00 0.00 H new ATOM 0 HB3 GLU C 19 40.172 7.380 14.045 1.00 0.00 H new ATOM 0 HG2 GLU C 19 41.744 5.753 15.100 1.00 0.00 H new ATOM 0 HG3 GLU C 19 40.638 4.438 14.758 1.00 0.00 H new ATOM 305 N PHE C 20 37.056 7.555 15.266 1.00 0.00 N ATOM 306 CA PHE C 20 36.084 8.641 15.248 1.00 0.00 C ATOM 307 C PHE C 20 35.565 8.914 16.657 1.00 0.00 C ATOM 308 O PHE C 20 35.336 10.065 17.033 1.00 0.00 O ATOM 309 CB PHE C 20 34.934 8.259 14.316 1.00 0.00 C ATOM 310 CG PHE C 20 35.457 7.791 12.961 1.00 0.00 C ATOM 311 CD1 PHE C 20 36.613 8.348 12.372 1.00 0.00 C ATOM 312 CD2 PHE C 20 34.768 6.772 12.295 1.00 0.00 C ATOM 313 CE1 PHE C 20 37.059 7.882 11.131 1.00 0.00 C ATOM 314 CE2 PHE C 20 35.218 6.308 11.056 1.00 0.00 C ATOM 315 CZ PHE C 20 36.363 6.859 10.472 1.00 0.00 C ATOM 0 H PHE C 20 36.731 6.689 14.836 1.00 0.00 H new ATOM 0 HA PHE C 20 36.559 9.552 14.884 1.00 0.00 H new ATOM 0 HB2 PHE C 20 34.339 7.468 14.773 1.00 0.00 H new ATOM 0 HB3 PHE C 20 34.274 9.115 14.178 1.00 0.00 H new ATOM 0 HD1 PHE C 20 37.153 9.134 12.880 1.00 0.00 H new ATOM 0 HD2 PHE C 20 33.883 6.342 12.741 1.00 0.00 H new ATOM 0 HE1 PHE C 20 37.941 8.311 10.680 1.00 0.00 H new ATOM 0 HE2 PHE C 20 34.680 5.521 10.548 1.00 0.00 H new ATOM 0 HZ PHE C 20 36.710 6.497 9.515 1.00 0.00 H new ATOM 325 N LYS C 21 35.390 7.859 17.432 1.00 0.00 N ATOM 326 CA LYS C 21 34.909 8.009 18.796 1.00 0.00 C ATOM 327 C LYS C 21 35.864 8.899 19.587 1.00 0.00 C ATOM 328 O LYS C 21 35.430 9.800 20.307 1.00 0.00 O ATOM 329 CB LYS C 21 34.811 6.638 19.466 1.00 0.00 C ATOM 330 CG LYS C 21 34.297 6.797 20.900 1.00 0.00 C ATOM 331 CD LYS C 21 34.140 5.415 21.542 1.00 0.00 C ATOM 332 CE LYS C 21 32.738 4.868 21.262 1.00 0.00 C ATOM 333 NZ LYS C 21 32.586 3.538 21.917 1.00 0.00 N1+ ATOM 0 H LYS C 21 35.571 6.897 17.145 1.00 0.00 H new ATOM 0 HA LYS C 21 33.922 8.470 18.776 1.00 0.00 H new ATOM 0 HB2 LYS C 21 34.140 5.993 18.899 1.00 0.00 H new ATOM 0 HB3 LYS C 21 35.788 6.155 19.472 1.00 0.00 H new ATOM 0 HG2 LYS C 21 34.992 7.403 21.482 1.00 0.00 H new ATOM 0 HG3 LYS C 21 33.341 7.320 20.899 1.00 0.00 H new ATOM 0 HD2 LYS C 21 34.892 4.733 21.146 1.00 0.00 H new ATOM 0 HD3 LYS C 21 34.306 5.483 22.617 1.00 0.00 H new ATOM 0 HE2 LYS C 21 31.984 5.559 21.638 1.00 0.00 H new ATOM 0 HE3 LYS C 21 32.579 4.777 20.188 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 31.634 3.165 21.728 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 33.297 2.881 21.538 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 32.721 3.639 22.943 1.00 0.00 H new ATOM 347 N ALA C 22 37.166 8.653 19.449 1.00 0.00 N ATOM 348 CA ALA C 22 38.153 9.458 20.162 1.00 0.00 C ATOM 349 C ALA C 22 38.066 10.912 19.726 1.00 0.00 C ATOM 350 O ALA C 22 38.123 11.827 20.553 1.00 0.00 O ATOM 351 CB ALA C 22 39.565 8.947 19.884 1.00 0.00 C ATOM 0 H ALA C 22 37.556 7.916 18.861 1.00 0.00 H new ATOM 0 HA ALA C 22 37.940 9.380 21.228 1.00 0.00 H new ATOM 0 HB1 ALA C 22 40.287 9.560 20.424 1.00 0.00 H new ATOM 0 HB2 ALA C 22 39.649 7.912 20.214 1.00 0.00 H new ATOM 0 HB3 ALA C 22 39.769 9.004 18.815 1.00 0.00 H new ATOM 357 N ALA C 23 37.927 11.115 18.418 1.00 0.00 N ATOM 358 CA ALA C 23 37.836 12.462 17.874 1.00 0.00 C ATOM 359 C ALA C 23 36.616 13.177 18.445 1.00 0.00 C ATOM 360 O ALA C 23 36.685 14.349 18.792 1.00 0.00 O ATOM 361 CB ALA C 23 37.743 12.409 16.345 1.00 0.00 C ATOM 0 H ALA C 23 37.876 10.370 17.723 1.00 0.00 H new ATOM 0 HA ALA C 23 38.733 13.014 18.154 1.00 0.00 H new ATOM 0 HB1 ALA C 23 37.675 13.422 15.949 1.00 0.00 H new ATOM 0 HB2 ALA C 23 38.631 11.921 15.943 1.00 0.00 H new ATOM 0 HB3 ALA C 23 36.856 11.846 16.054 1.00 0.00 H new ATOM 367 N PHE C 24 35.505 12.454 18.553 1.00 0.00 N ATOM 368 CA PHE C 24 34.265 13.019 19.086 1.00 0.00 C ATOM 369 C PHE C 24 34.457 13.540 20.515 1.00 0.00 C ATOM 370 O PHE C 24 33.978 14.624 20.860 1.00 0.00 O ATOM 371 CB PHE C 24 33.166 11.955 19.096 1.00 0.00 C ATOM 372 CG PHE C 24 31.870 12.585 19.545 1.00 0.00 C ATOM 373 CD1 PHE C 24 31.606 12.742 20.911 1.00 0.00 C ATOM 374 CD2 PHE C 24 30.938 13.030 18.596 1.00 0.00 C ATOM 375 CE1 PHE C 24 30.408 13.333 21.331 1.00 0.00 C ATOM 376 CE2 PHE C 24 29.740 13.621 19.017 1.00 0.00 C ATOM 377 CZ PHE C 24 29.476 13.775 20.384 1.00 0.00 C ATOM 0 H PHE C 24 35.436 11.474 18.279 1.00 0.00 H new ATOM 0 HA PHE C 24 33.980 13.851 18.442 1.00 0.00 H new ATOM 0 HB2 PHE C 24 33.050 11.525 18.101 1.00 0.00 H new ATOM 0 HB3 PHE C 24 33.439 11.139 19.765 1.00 0.00 H new ATOM 0 HD1 PHE C 24 32.327 12.407 21.642 1.00 0.00 H new ATOM 0 HD2 PHE C 24 31.144 12.917 17.542 1.00 0.00 H new ATOM 0 HE1 PHE C 24 30.203 13.448 22.385 1.00 0.00 H new ATOM 0 HE2 PHE C 24 29.019 13.958 18.287 1.00 0.00 H new ATOM 0 HZ PHE C 24 28.554 14.235 20.708 1.00 0.00 H new ATOM 387 N ASP C 25 35.133 12.747 21.349 1.00 0.00 N ATOM 388 CA ASP C 25 35.354 13.120 22.746 1.00 0.00 C ATOM 389 C ASP C 25 36.108 14.443 22.849 1.00 0.00 C ATOM 390 O ASP C 25 35.780 15.293 23.677 1.00 0.00 O ATOM 391 CB ASP C 25 36.169 12.021 23.441 1.00 0.00 C ATOM 392 CG ASP C 25 35.319 10.766 23.615 1.00 0.00 C ATOM 393 OD1 ASP C 25 34.119 10.851 23.410 1.00 0.00 O ATOM 394 OD2 ASP C 25 35.882 9.736 23.952 1.00 0.00 O1- ATOM 0 H ASP C 25 35.534 11.848 21.083 1.00 0.00 H new ATOM 0 HA ASP C 25 34.384 13.236 23.229 1.00 0.00 H new ATOM 0 HB2 ASP C 25 37.057 11.789 22.853 1.00 0.00 H new ATOM 0 HB3 ASP C 25 36.514 12.373 24.413 1.00 0.00 H new ATOM 399 N ILE C 26 37.114 14.609 21.998 1.00 0.00 N ATOM 400 CA ILE C 26 37.908 15.840 21.990 1.00 0.00 C ATOM 401 C ILE C 26 37.228 16.922 21.161 1.00 0.00 C ATOM 402 O ILE C 26 37.498 18.107 21.336 1.00 0.00 O ATOM 403 CB ILE C 26 39.302 15.554 21.445 1.00 0.00 C ATOM 404 CG1 ILE C 26 39.165 14.936 20.069 1.00 0.00 C ATOM 405 CG2 ILE C 26 40.055 14.582 22.362 1.00 0.00 C ATOM 406 CD1 ILE C 26 40.542 14.565 19.557 1.00 0.00 C ATOM 0 H ILE C 26 37.401 13.915 21.308 1.00 0.00 H new ATOM 0 HA ILE C 26 37.992 16.203 23.014 1.00 0.00 H new ATOM 0 HB ILE C 26 39.864 16.487 21.394 1.00 0.00 H new ATOM 0 HG12 ILE C 26 38.529 14.052 20.115 1.00 0.00 H new ATOM 0 HG13 ILE C 26 38.686 15.638 19.387 1.00 0.00 H new ATOM 0 HG21 ILE C 26 41.048 14.392 21.954 1.00 0.00 H new ATOM 0 HG22 ILE C 26 40.149 15.019 23.356 1.00 0.00 H new ATOM 0 HG23 ILE C 26 39.504 13.644 22.428 1.00 0.00 H new ATOM 0 HD11 ILE C 26 40.454 14.119 18.566 1.00 0.00 H new ATOM 0 HD12 ILE C 26 41.162 15.460 19.498 1.00 0.00 H new ATOM 0 HD13 ILE C 26 41.002 13.849 20.238 1.00 0.00 H new ATOM 418 N PHE C 27 36.336 16.520 20.266 1.00 0.00 N ATOM 419 CA PHE C 27 35.630 17.496 19.445 1.00 0.00 C ATOM 420 C PHE C 27 34.781 18.403 20.338 1.00 0.00 C ATOM 421 O PHE C 27 34.720 19.614 20.132 1.00 0.00 O ATOM 422 CB PHE C 27 34.720 16.793 18.444 1.00 0.00 C ATOM 423 CG PHE C 27 34.805 17.481 17.108 1.00 0.00 C ATOM 424 CD1 PHE C 27 34.245 18.748 16.939 1.00 0.00 C ATOM 425 CD2 PHE C 27 35.446 16.846 16.038 1.00 0.00 C ATOM 426 CE1 PHE C 27 34.323 19.387 15.696 1.00 0.00 C ATOM 427 CE2 PHE C 27 35.523 17.482 14.796 1.00 0.00 C ATOM 428 CZ PHE C 27 34.961 18.753 14.624 1.00 0.00 C ATOM 0 H PHE C 27 36.087 15.546 20.091 1.00 0.00 H new ATOM 0 HA PHE C 27 36.367 18.090 18.904 1.00 0.00 H new ATOM 0 HB2 PHE C 27 35.012 15.748 18.344 1.00 0.00 H new ATOM 0 HB3 PHE C 27 33.691 16.803 18.804 1.00 0.00 H new ATOM 0 HD1 PHE C 27 33.752 19.235 17.767 1.00 0.00 H new ATOM 0 HD2 PHE C 27 35.880 15.866 16.172 1.00 0.00 H new ATOM 0 HE1 PHE C 27 33.891 20.368 15.564 1.00 0.00 H new ATOM 0 HE2 PHE C 27 36.016 16.993 13.969 1.00 0.00 H new ATOM 0 HZ PHE C 27 35.020 19.244 13.664 1.00 0.00 H new ATOM 438 N VAL C 28 34.122 17.805 21.335 1.00 0.00 N ATOM 439 CA VAL C 28 33.270 18.570 22.250 1.00 0.00 C ATOM 440 C VAL C 28 34.097 19.409 23.222 1.00 0.00 C ATOM 441 O VAL C 28 33.597 19.840 24.258 1.00 0.00 O ATOM 442 CB VAL C 28 32.353 17.634 23.034 1.00 0.00 C ATOM 443 CG1 VAL C 28 31.290 17.066 22.095 1.00 0.00 C ATOM 444 CG2 VAL C 28 33.178 16.488 23.627 1.00 0.00 C ATOM 0 H VAL C 28 34.161 16.804 21.528 1.00 0.00 H new ATOM 0 HA VAL C 28 32.667 19.246 21.643 1.00 0.00 H new ATOM 0 HB VAL C 28 31.870 18.186 23.840 1.00 0.00 H new ATOM 0 HG11 VAL C 28 30.633 16.397 22.651 1.00 0.00 H new ATOM 0 HG12 VAL C 28 30.704 17.882 21.673 1.00 0.00 H new ATOM 0 HG13 VAL C 28 31.774 16.513 21.290 1.00 0.00 H new ATOM 0 HG21 VAL C 28 32.523 15.820 24.187 1.00 0.00 H new ATOM 0 HG22 VAL C 28 33.661 15.933 22.823 1.00 0.00 H new ATOM 0 HG23 VAL C 28 33.938 16.894 24.294 1.00 0.00 H new ATOM 454 N LEU C 29 35.359 19.641 22.879 1.00 0.00 N ATOM 455 CA LEU C 29 36.243 20.438 23.726 1.00 0.00 C ATOM 456 C LEU C 29 35.527 21.676 24.262 1.00 0.00 C ATOM 457 O LEU C 29 35.646 22.012 25.441 1.00 0.00 O ATOM 458 CB LEU C 29 37.479 20.865 22.927 1.00 0.00 C ATOM 459 CG LEU C 29 37.053 21.667 21.690 1.00 0.00 C ATOM 460 CD1 LEU C 29 37.233 23.167 21.944 1.00 0.00 C ATOM 461 CD2 LEU C 29 37.919 21.254 20.502 1.00 0.00 C ATOM 0 H LEU C 29 35.793 19.291 22.025 1.00 0.00 H new ATOM 0 HA LEU C 29 36.545 19.823 24.574 1.00 0.00 H new ATOM 0 HB2 LEU C 29 38.136 21.468 23.553 1.00 0.00 H new ATOM 0 HB3 LEU C 29 38.047 19.986 22.623 1.00 0.00 H new ATOM 0 HG LEU C 29 36.003 21.464 21.478 1.00 0.00 H new ATOM 0 HD11 LEU C 29 36.927 23.725 21.059 1.00 0.00 H new ATOM 0 HD12 LEU C 29 36.619 23.468 22.793 1.00 0.00 H new ATOM 0 HD13 LEU C 29 38.281 23.376 22.161 1.00 0.00 H new ATOM 0 HD21 LEU C 29 37.621 21.821 19.620 1.00 0.00 H new ATOM 0 HD22 LEU C 29 38.966 21.457 20.727 1.00 0.00 H new ATOM 0 HD23 LEU C 29 37.789 20.189 20.310 1.00 0.00 H new ATOM 473 N GLY C 30 34.794 22.358 23.386 1.00 0.00 N ATOM 474 CA GLY C 30 34.074 23.565 23.774 1.00 0.00 C ATOM 475 C GLY C 30 32.581 23.299 23.935 1.00 0.00 C ATOM 476 O GLY C 30 31.782 24.235 23.981 1.00 0.00 O ATOM 0 H GLY C 30 34.684 22.096 22.406 1.00 0.00 H new ATOM 0 HA2 GLY C 30 34.480 23.946 24.711 1.00 0.00 H new ATOM 0 HA3 GLY C 30 34.228 24.339 23.022 1.00 0.00 H new ATOM 480 N ALA C 31 32.207 22.024 24.008 1.00 0.00 N ATOM 481 CA ALA C 31 30.804 21.653 24.156 1.00 0.00 C ATOM 482 C ALA C 31 30.604 20.843 25.429 1.00 0.00 C ATOM 483 O ALA C 31 30.840 19.636 25.459 1.00 0.00 O ATOM 484 CB ALA C 31 30.355 20.843 22.936 1.00 0.00 C ATOM 0 H ALA C 31 32.852 21.235 23.967 1.00 0.00 H new ATOM 0 HA ALA C 31 30.201 22.558 24.225 1.00 0.00 H new ATOM 0 HB1 ALA C 31 29.307 20.567 23.048 1.00 0.00 H new ATOM 0 HB2 ALA C 31 30.477 21.444 22.035 1.00 0.00 H new ATOM 0 HB3 ALA C 31 30.961 19.941 22.855 1.00 0.00 H new ATOM 490 N GLU C 32 30.171 21.524 26.483 1.00 0.00 N ATOM 491 CA GLU C 32 29.944 20.868 27.761 1.00 0.00 C ATOM 492 C GLU C 32 28.674 20.034 27.699 1.00 0.00 C ATOM 493 O GLU C 32 28.408 19.215 28.579 1.00 0.00 O ATOM 494 CB GLU C 32 29.835 21.911 28.875 1.00 0.00 C ATOM 495 CG GLU C 32 31.192 22.595 29.065 1.00 0.00 C ATOM 496 CD GLU C 32 31.068 23.728 30.076 1.00 0.00 C ATOM 497 OE1 GLU C 32 29.948 24.049 30.439 1.00 0.00 O ATOM 498 OE2 GLU C 32 32.092 24.259 30.472 1.00 0.00 O1- ATOM 0 H GLU C 32 29.972 22.524 26.477 1.00 0.00 H new ATOM 0 HA GLU C 32 30.787 20.211 27.976 1.00 0.00 H new ATOM 0 HB2 GLU C 32 29.075 22.650 28.623 1.00 0.00 H new ATOM 0 HB3 GLU C 32 29.522 21.435 29.804 1.00 0.00 H new ATOM 0 HG2 GLU C 32 31.929 21.869 29.408 1.00 0.00 H new ATOM 0 HG3 GLU C 32 31.549 22.985 28.112 1.00 0.00 H new ATOM 505 N ASP C 33 27.898 20.250 26.646 1.00 0.00 N ATOM 506 CA ASP C 33 26.653 19.515 26.463 1.00 0.00 C ATOM 507 C ASP C 33 26.928 18.124 25.896 1.00 0.00 C ATOM 508 O ASP C 33 26.078 17.238 25.974 1.00 0.00 O ATOM 509 CB ASP C 33 25.722 20.280 25.519 1.00 0.00 C ATOM 510 CG ASP C 33 25.348 21.628 26.129 1.00 0.00 C ATOM 511 OD1 ASP C 33 24.368 21.676 26.852 1.00 0.00 O1- ATOM 512 OD2 ASP C 33 26.048 22.593 25.864 1.00 0.00 O ATOM 0 H ASP C 33 28.106 20.924 25.909 1.00 0.00 H new ATOM 0 HA ASP C 33 26.172 19.410 27.436 1.00 0.00 H new ATOM 0 HB2 ASP C 33 26.211 20.431 24.557 1.00 0.00 H new ATOM 0 HB3 ASP C 33 24.822 19.695 25.331 1.00 0.00 H new ATOM 517 N GLY C 34 28.117 17.932 25.330 1.00 0.00 N ATOM 518 CA GLY C 34 28.474 16.636 24.765 1.00 0.00 C ATOM 519 C GLY C 34 27.972 16.512 23.332 1.00 0.00 C ATOM 520 O GLY C 34 28.087 15.453 22.712 1.00 0.00 O ATOM 0 H GLY C 34 28.840 18.647 25.251 1.00 0.00 H new ATOM 0 HA2 GLY C 34 29.557 16.510 24.788 1.00 0.00 H new ATOM 0 HA3 GLY C 34 28.048 15.839 25.374 1.00 0.00 H new ATOM 524 N CYS C 35 27.423 17.605 22.814 1.00 0.00 N ATOM 525 CA CYS C 35 26.908 17.624 21.446 1.00 0.00 C ATOM 526 C CYS C 35 27.515 18.788 20.666 1.00 0.00 C ATOM 527 O CYS C 35 27.876 19.813 21.246 1.00 0.00 O ATOM 528 CB CYS C 35 25.380 17.743 21.462 1.00 0.00 C ATOM 529 SG CYS C 35 24.670 16.323 22.334 1.00 0.00 S ATOM 0 H CYS C 35 27.322 18.487 23.316 1.00 0.00 H new ATOM 0 HA CYS C 35 27.187 16.692 20.955 1.00 0.00 H new ATOM 0 HB2 CYS C 35 25.082 18.670 21.952 1.00 0.00 H new ATOM 0 HB3 CYS C 35 24.998 17.785 20.442 1.00 0.00 H new ATOM 0 HG CYS C 35 23.374 16.426 22.349 1.00 0.00 H new ATOM 535 N ILE C 36 27.627 18.621 19.349 1.00 0.00 N ATOM 536 CA ILE C 36 28.196 19.665 18.497 1.00 0.00 C ATOM 537 C ILE C 36 27.111 20.650 18.093 1.00 0.00 C ATOM 538 O ILE C 36 26.117 20.277 17.471 1.00 0.00 O ATOM 539 CB ILE C 36 28.797 19.040 17.237 1.00 0.00 C ATOM 540 CG1 ILE C 36 29.493 17.718 17.596 1.00 0.00 C ATOM 541 CG2 ILE C 36 29.794 20.012 16.600 1.00 0.00 C ATOM 542 CD1 ILE C 36 30.456 17.926 18.761 1.00 0.00 C ATOM 0 H ILE C 36 27.334 17.780 18.852 1.00 0.00 H new ATOM 0 HA ILE C 36 28.975 20.186 19.054 1.00 0.00 H new ATOM 0 HB ILE C 36 28.002 18.835 16.520 1.00 0.00 H new ATOM 0 HG12 ILE C 36 28.748 16.967 17.860 1.00 0.00 H new ATOM 0 HG13 ILE C 36 30.035 17.338 16.730 1.00 0.00 H new ATOM 0 HG21 ILE C 36 30.219 19.561 15.703 1.00 0.00 H new ATOM 0 HG22 ILE C 36 29.281 20.936 16.334 1.00 0.00 H new ATOM 0 HG23 ILE C 36 30.592 20.231 17.309 1.00 0.00 H new ATOM 0 HD11 ILE C 36 30.942 16.981 19.005 1.00 0.00 H new ATOM 0 HD12 ILE C 36 31.211 18.661 18.482 1.00 0.00 H new ATOM 0 HD13 ILE C 36 29.904 18.285 19.630 1.00 0.00 H new ATOM 554 N SER C 37 27.312 21.907 18.459 1.00 0.00 N ATOM 555 CA SER C 37 26.352 22.954 18.144 1.00 0.00 C ATOM 556 C SER C 37 27.060 24.130 17.493 1.00 0.00 C ATOM 557 O SER C 37 28.272 24.098 17.277 1.00 0.00 O ATOM 558 CB SER C 37 25.650 23.413 19.422 1.00 0.00 C ATOM 559 OG SER C 37 25.031 22.295 20.043 1.00 0.00 O ATOM 0 H SER C 37 28.132 22.227 18.975 1.00 0.00 H new ATOM 0 HA SER C 37 25.610 22.559 17.450 1.00 0.00 H new ATOM 0 HB2 SER C 37 26.369 23.870 20.102 1.00 0.00 H new ATOM 0 HB3 SER C 37 24.905 24.173 19.189 1.00 0.00 H new ATOM 0 HG SER C 37 24.581 22.584 20.864 1.00 0.00 H new ATOM 565 N THR C 38 26.301 25.169 17.178 1.00 0.00 N ATOM 566 CA THR C 38 26.875 26.344 16.553 1.00 0.00 C ATOM 567 C THR C 38 27.923 26.960 17.472 1.00 0.00 C ATOM 568 O THR C 38 28.883 27.575 17.010 1.00 0.00 O ATOM 569 CB THR C 38 25.767 27.362 16.270 1.00 0.00 C ATOM 570 OG1 THR C 38 25.102 27.688 17.481 1.00 0.00 O ATOM 571 CG2 THR C 38 24.762 26.770 15.276 1.00 0.00 C ATOM 0 H THR C 38 25.296 25.220 17.344 1.00 0.00 H new ATOM 0 HA THR C 38 27.352 26.059 15.615 1.00 0.00 H new ATOM 0 HB THR C 38 26.206 28.263 15.843 1.00 0.00 H new ATOM 0 HG1 THR C 38 24.394 28.341 17.300 1.00 0.00 H new ATOM 0 HG21 THR C 38 23.975 27.498 15.077 1.00 0.00 H new ATOM 0 HG22 THR C 38 25.273 26.524 14.345 1.00 0.00 H new ATOM 0 HG23 THR C 38 24.322 25.866 15.698 1.00 0.00 H new ATOM 579 N LYS C 39 27.735 26.791 18.776 1.00 0.00 N ATOM 580 CA LYS C 39 28.679 27.341 19.740 1.00 0.00 C ATOM 581 C LYS C 39 30.065 26.720 19.570 1.00 0.00 C ATOM 582 O LYS C 39 31.067 27.434 19.516 1.00 0.00 O ATOM 583 CB LYS C 39 28.171 27.098 21.164 1.00 0.00 C ATOM 584 CG LYS C 39 29.128 27.747 22.165 1.00 0.00 C ATOM 585 CD LYS C 39 28.554 27.614 23.576 1.00 0.00 C ATOM 586 CE LYS C 39 29.531 28.220 24.585 1.00 0.00 C ATOM 587 NZ LYS C 39 29.733 29.662 24.273 1.00 0.00 N1+ ATOM 0 H LYS C 39 26.949 26.285 19.185 1.00 0.00 H new ATOM 0 HA LYS C 39 28.762 28.413 19.561 1.00 0.00 H new ATOM 0 HB2 LYS C 39 27.170 27.513 21.280 1.00 0.00 H new ATOM 0 HB3 LYS C 39 28.097 26.028 21.357 1.00 0.00 H new ATOM 0 HG2 LYS C 39 30.106 27.269 22.112 1.00 0.00 H new ATOM 0 HG3 LYS C 39 29.273 28.798 21.917 1.00 0.00 H new ATOM 0 HD2 LYS C 39 27.591 28.121 23.637 1.00 0.00 H new ATOM 0 HD3 LYS C 39 28.377 26.564 23.810 1.00 0.00 H new ATOM 0 HE2 LYS C 39 29.143 28.106 25.597 1.00 0.00 H new ATOM 0 HE3 LYS C 39 30.484 27.692 24.548 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 30.103 30.150 25.113 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 30.412 29.756 23.491 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 28.825 30.088 23.997 1.00 0.00 H new ATOM 601 N GLU C 40 30.126 25.391 19.488 1.00 0.00 N ATOM 602 CA GLU C 40 31.406 24.713 19.327 1.00 0.00 C ATOM 603 C GLU C 40 31.983 24.949 17.934 1.00 0.00 C ATOM 604 O GLU C 40 33.197 25.127 17.765 1.00 0.00 O ATOM 605 CB GLU C 40 31.224 23.220 19.544 1.00 0.00 C ATOM 606 CG GLU C 40 32.591 22.555 19.659 1.00 0.00 C ATOM 607 CD GLU C 40 32.571 21.236 18.912 1.00 0.00 C ATOM 608 OE1 GLU C 40 32.593 21.267 17.692 1.00 0.00 O ATOM 609 OE2 GLU C 40 32.530 20.214 19.567 1.00 0.00 O1- ATOM 0 H GLU C 40 29.316 24.773 19.530 1.00 0.00 H new ATOM 0 HA GLU C 40 32.099 25.118 20.064 1.00 0.00 H new ATOM 0 HB2 GLU C 40 30.643 23.041 20.449 1.00 0.00 H new ATOM 0 HB3 GLU C 40 30.665 22.786 18.715 1.00 0.00 H new ATOM 0 HG2 GLU C 40 33.361 23.207 19.248 1.00 0.00 H new ATOM 0 HG3 GLU C 40 32.840 22.389 20.707 1.00 0.00 H new ATOM 616 N LEU C 41 31.107 24.924 16.936 1.00 0.00 N ATOM 617 CA LEU C 41 31.530 25.118 15.558 1.00 0.00 C ATOM 618 C LEU C 41 32.223 26.463 15.414 1.00 0.00 C ATOM 619 O LEU C 41 33.135 26.622 14.603 1.00 0.00 O ATOM 620 CB LEU C 41 30.312 25.047 14.625 1.00 0.00 C ATOM 621 CG LEU C 41 30.433 23.843 13.684 1.00 0.00 C ATOM 622 CD1 LEU C 41 31.679 23.986 12.802 1.00 0.00 C ATOM 623 CD2 LEU C 41 30.531 22.562 14.513 1.00 0.00 C ATOM 0 H LEU C 41 30.106 24.772 17.056 1.00 0.00 H new ATOM 0 HA LEU C 41 32.231 24.330 15.284 1.00 0.00 H new ATOM 0 HB2 LEU C 41 29.398 24.967 15.214 1.00 0.00 H new ATOM 0 HB3 LEU C 41 30.237 25.966 14.043 1.00 0.00 H new ATOM 0 HG LEU C 41 29.553 23.798 13.043 1.00 0.00 H new ATOM 0 HD11 LEU C 41 31.755 23.125 12.138 1.00 0.00 H new ATOM 0 HD12 LEU C 41 31.602 24.897 12.208 1.00 0.00 H new ATOM 0 HD13 LEU C 41 32.567 24.038 13.432 1.00 0.00 H new ATOM 0 HD21 LEU C 41 30.617 21.703 13.847 1.00 0.00 H new ATOM 0 HD22 LEU C 41 31.409 22.612 15.157 1.00 0.00 H new ATOM 0 HD23 LEU C 41 29.637 22.457 15.127 1.00 0.00 H new ATOM 635 N GLY C 42 31.788 27.423 16.211 1.00 0.00 N ATOM 636 CA GLY C 42 32.373 28.750 16.177 1.00 0.00 C ATOM 637 C GLY C 42 33.854 28.715 16.549 1.00 0.00 C ATOM 638 O GLY C 42 34.656 29.447 15.977 1.00 0.00 O ATOM 0 H GLY C 42 31.034 27.308 16.888 1.00 0.00 H new ATOM 0 HA2 GLY C 42 32.256 29.175 15.180 1.00 0.00 H new ATOM 0 HA3 GLY C 42 31.838 29.403 16.867 1.00 0.00 H new ATOM 642 N LYS C 43 34.216 27.871 17.514 1.00 0.00 N ATOM 643 CA LYS C 43 35.604 27.778 17.953 1.00 0.00 C ATOM 644 C LYS C 43 36.457 27.136 16.870 1.00 0.00 C ATOM 645 O LYS C 43 37.578 27.567 16.598 1.00 0.00 O ATOM 646 CB LYS C 43 35.690 26.949 19.241 1.00 0.00 C ATOM 647 CG LYS C 43 35.732 27.859 20.482 1.00 0.00 C ATOM 648 CD LYS C 43 34.382 28.554 20.677 1.00 0.00 C ATOM 649 CE LYS C 43 33.640 27.895 21.844 1.00 0.00 C ATOM 650 NZ LYS C 43 34.396 28.127 23.108 1.00 0.00 N1+ ATOM 0 H LYS C 43 33.573 27.248 18.002 1.00 0.00 H new ATOM 0 HA LYS C 43 35.978 28.783 18.147 1.00 0.00 H new ATOM 0 HB2 LYS C 43 34.832 26.280 19.305 1.00 0.00 H new ATOM 0 HB3 LYS C 43 36.581 26.322 19.215 1.00 0.00 H new ATOM 0 HG2 LYS C 43 35.976 27.269 21.366 1.00 0.00 H new ATOM 0 HG3 LYS C 43 36.519 28.604 20.368 1.00 0.00 H new ATOM 0 HD2 LYS C 43 34.531 29.615 20.878 1.00 0.00 H new ATOM 0 HD3 LYS C 43 33.788 28.483 19.766 1.00 0.00 H new ATOM 0 HE2 LYS C 43 32.634 28.307 21.928 1.00 0.00 H new ATOM 0 HE3 LYS C 43 33.532 26.826 21.663 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 33.728 28.229 23.898 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 35.026 27.320 23.289 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 34.962 28.995 23.019 1.00 0.00 H new ATOM 664 N VAL C 44 35.912 26.104 16.250 1.00 0.00 N ATOM 665 CA VAL C 44 36.626 25.414 15.193 1.00 0.00 C ATOM 666 C VAL C 44 36.881 26.355 14.026 1.00 0.00 C ATOM 667 O VAL C 44 37.965 26.361 13.443 1.00 0.00 O ATOM 668 CB VAL C 44 35.802 24.232 14.710 1.00 0.00 C ATOM 669 CG1 VAL C 44 36.450 23.629 13.465 1.00 0.00 C ATOM 670 CG2 VAL C 44 35.739 23.176 15.813 1.00 0.00 C ATOM 0 H VAL C 44 34.987 25.729 16.458 1.00 0.00 H new ATOM 0 HA VAL C 44 37.581 25.065 15.586 1.00 0.00 H new ATOM 0 HB VAL C 44 34.794 24.567 14.465 1.00 0.00 H new ATOM 0 HG11 VAL C 44 35.857 22.782 13.121 1.00 0.00 H new ATOM 0 HG12 VAL C 44 36.498 24.382 12.679 1.00 0.00 H new ATOM 0 HG13 VAL C 44 37.458 23.292 13.706 1.00 0.00 H new ATOM 0 HG21 VAL C 44 35.149 22.326 15.470 1.00 0.00 H new ATOM 0 HG22 VAL C 44 36.748 22.842 16.055 1.00 0.00 H new ATOM 0 HG23 VAL C 44 35.275 23.605 16.701 1.00 0.00 H new ATOM 680 N MET C 45 35.866 27.134 13.677 1.00 0.00 N ATOM 681 CA MET C 45 35.990 28.057 12.563 1.00 0.00 C ATOM 682 C MET C 45 37.087 29.084 12.819 1.00 0.00 C ATOM 683 O MET C 45 37.844 29.432 11.914 1.00 0.00 O ATOM 684 CB MET C 45 34.663 28.777 12.315 1.00 0.00 C ATOM 685 CG MET C 45 33.651 27.799 11.716 1.00 0.00 C ATOM 686 SD MET C 45 34.141 27.400 10.020 1.00 0.00 S ATOM 687 CE MET C 45 32.891 26.129 9.711 1.00 0.00 C ATOM 0 H MET C 45 34.959 27.144 14.144 1.00 0.00 H new ATOM 0 HA MET C 45 36.256 27.476 11.680 1.00 0.00 H new ATOM 0 HB2 MET C 45 34.279 29.185 13.250 1.00 0.00 H new ATOM 0 HB3 MET C 45 34.815 29.618 11.638 1.00 0.00 H new ATOM 0 HG2 MET C 45 33.605 26.891 12.317 1.00 0.00 H new ATOM 0 HG3 MET C 45 32.653 28.238 11.725 1.00 0.00 H new ATOM 0 HE1 MET C 45 32.989 25.763 8.689 1.00 0.00 H new ATOM 0 HE2 MET C 45 33.033 25.302 10.407 1.00 0.00 H new ATOM 0 HE3 MET C 45 31.897 26.555 9.850 1.00 0.00 H new ATOM 697 N ARG C 46 37.168 29.561 14.056 1.00 0.00 N ATOM 698 CA ARG C 46 38.179 30.545 14.417 1.00 0.00 C ATOM 699 C ARG C 46 39.580 29.977 14.224 1.00 0.00 C ATOM 700 O ARG C 46 40.484 30.672 13.765 1.00 0.00 O ATOM 701 CB ARG C 46 38.000 30.968 15.877 1.00 0.00 C ATOM 702 CG ARG C 46 36.749 31.840 16.018 1.00 0.00 C ATOM 703 CD ARG C 46 36.465 32.082 17.503 1.00 0.00 C ATOM 704 NE ARG C 46 35.328 32.982 17.665 1.00 0.00 N ATOM 705 CZ ARG C 46 34.078 32.533 17.604 1.00 0.00 C ATOM 706 NH1 ARG C 46 33.850 31.263 17.414 1.00 0.00 N ATOM 707 NH2 ARG C 46 33.079 33.362 17.741 1.00 0.00 N1+ ATOM 0 H ARG C 46 36.551 29.285 14.820 1.00 0.00 H new ATOM 0 HA ARG C 46 38.058 31.411 13.767 1.00 0.00 H new ATOM 0 HB2 ARG C 46 37.913 30.086 16.512 1.00 0.00 H new ATOM 0 HB3 ARG C 46 38.878 31.519 16.215 1.00 0.00 H new ATOM 0 HG2 ARG C 46 36.894 32.790 15.504 1.00 0.00 H new ATOM 0 HG3 ARG C 46 35.896 31.351 15.548 1.00 0.00 H new ATOM 0 HD2 ARG C 46 36.259 31.134 17.999 1.00 0.00 H new ATOM 0 HD3 ARG C 46 37.346 32.509 17.983 1.00 0.00 H new ATOM 0 HE ARG C 46 35.495 33.975 17.828 1.00 0.00 H new ATOM 0 HH11 ARG C 46 34.631 30.614 17.312 1.00 0.00 H new ATOM 0 HH12 ARG C 46 32.891 30.918 17.367 1.00 0.00 H new ATOM 0 HH21 ARG C 46 33.257 34.354 17.895 1.00 0.00 H new ATOM 0 HH22 ARG C 46 32.120 33.017 17.694 1.00 0.00 H new ATOM 721 N MET C 47 39.754 28.712 14.581 1.00 0.00 N ATOM 722 CA MET C 47 41.050 28.067 14.447 1.00 0.00 C ATOM 723 C MET C 47 41.445 27.985 12.975 1.00 0.00 C ATOM 724 O MET C 47 42.612 28.142 12.620 1.00 0.00 O ATOM 725 CB MET C 47 41.010 26.671 15.067 1.00 0.00 C ATOM 726 CG MET C 47 42.434 26.137 15.219 1.00 0.00 C ATOM 727 SD MET C 47 42.396 24.567 16.118 1.00 0.00 S ATOM 728 CE MET C 47 44.182 24.410 16.372 1.00 0.00 C ATOM 0 H MET C 47 39.019 28.117 14.963 1.00 0.00 H new ATOM 0 HA MET C 47 41.796 28.660 14.975 1.00 0.00 H new ATOM 0 HB2 MET C 47 40.519 26.708 16.039 1.00 0.00 H new ATOM 0 HB3 MET C 47 40.424 26.000 14.439 1.00 0.00 H new ATOM 0 HG2 MET C 47 42.888 25.996 14.238 1.00 0.00 H new ATOM 0 HG3 MET C 47 43.050 26.860 15.754 1.00 0.00 H new ATOM 0 HE1 MET C 47 44.392 23.491 16.919 1.00 0.00 H new ATOM 0 HE2 MET C 47 44.686 24.380 15.406 1.00 0.00 H new ATOM 0 HE3 MET C 47 44.545 25.264 16.944 1.00 0.00 H new ATOM 738 N LEU C 48 40.453 27.740 12.127 1.00 0.00 N ATOM 739 CA LEU C 48 40.681 27.638 10.686 1.00 0.00 C ATOM 740 C LEU C 48 40.943 29.017 10.084 1.00 0.00 C ATOM 741 O LEU C 48 41.322 29.133 8.918 1.00 0.00 O ATOM 742 CB LEU C 48 39.464 27.005 10.004 1.00 0.00 C ATOM 743 CG LEU C 48 39.282 25.560 10.491 1.00 0.00 C ATOM 744 CD1 LEU C 48 37.993 24.985 9.904 1.00 0.00 C ATOM 745 CD2 LEU C 48 40.469 24.694 10.045 1.00 0.00 C ATOM 0 H LEU C 48 39.482 27.608 12.410 1.00 0.00 H new ATOM 0 HA LEU C 48 41.556 27.009 10.522 1.00 0.00 H new ATOM 0 HB2 LEU C 48 38.569 27.587 10.225 1.00 0.00 H new ATOM 0 HB3 LEU C 48 39.595 27.019 8.922 1.00 0.00 H new ATOM 0 HG LEU C 48 39.229 25.559 11.580 1.00 0.00 H new ATOM 0 HD11 LEU C 48 37.862 23.959 10.249 1.00 0.00 H new ATOM 0 HD12 LEU C 48 37.145 25.588 10.229 1.00 0.00 H new ATOM 0 HD13 LEU C 48 38.052 24.997 8.816 1.00 0.00 H new ATOM 0 HD21 LEU C 48 40.327 23.672 10.397 1.00 0.00 H new ATOM 0 HD22 LEU C 48 40.533 24.697 8.957 1.00 0.00 H new ATOM 0 HD23 LEU C 48 41.391 25.097 10.464 1.00 0.00 H new ATOM 757 N GLY C 49 40.741 30.062 10.882 1.00 0.00 N ATOM 758 CA GLY C 49 40.963 31.423 10.402 1.00 0.00 C ATOM 759 C GLY C 49 39.706 31.994 9.756 1.00 0.00 C ATOM 760 O GLY C 49 39.764 32.989 9.033 1.00 0.00 O ATOM 0 H GLY C 49 40.428 29.995 11.851 1.00 0.00 H new ATOM 0 HA2 GLY C 49 41.268 32.059 11.233 1.00 0.00 H new ATOM 0 HA3 GLY C 49 41.780 31.428 9.680 1.00 0.00 H new ATOM 764 N GLN C 50 38.570 31.357 10.020 1.00 0.00 N ATOM 765 CA GLN C 50 37.304 31.804 9.461 1.00 0.00 C ATOM 766 C GLN C 50 36.480 32.519 10.526 1.00 0.00 C ATOM 767 O GLN C 50 36.588 32.218 11.715 1.00 0.00 O ATOM 768 CB GLN C 50 36.519 30.602 8.935 1.00 0.00 C ATOM 769 CG GLN C 50 37.405 29.776 7.998 1.00 0.00 C ATOM 770 CD GLN C 50 37.964 30.652 6.883 1.00 0.00 C ATOM 771 OE1 GLN C 50 37.206 31.290 6.154 1.00 0.00 O ATOM 772 NE2 GLN C 50 39.255 30.723 6.711 1.00 0.00 N ATOM 0 H GLN C 50 38.502 30.532 10.616 1.00 0.00 H new ATOM 0 HA GLN C 50 37.507 32.495 8.643 1.00 0.00 H new ATOM 0 HB2 GLN C 50 36.179 29.985 9.767 1.00 0.00 H new ATOM 0 HB3 GLN C 50 35.629 30.941 8.405 1.00 0.00 H new ATOM 0 HG2 GLN C 50 38.223 29.329 8.562 1.00 0.00 H new ATOM 0 HG3 GLN C 50 36.827 28.957 7.570 1.00 0.00 H new ATOM 0 HE21 GLN C 50 39.880 30.192 7.318 1.00 0.00 H new ATOM 0 HE22 GLN C 50 39.639 31.309 5.970 1.00 0.00 H new ATOM 781 N ASN C 51 35.656 33.463 10.090 1.00 0.00 N ATOM 782 CA ASN C 51 34.813 34.217 11.011 1.00 0.00 C ATOM 783 C ASN C 51 33.381 34.269 10.498 1.00 0.00 C ATOM 784 O ASN C 51 32.855 35.341 10.198 1.00 0.00 O ATOM 785 CB ASN C 51 35.349 35.639 11.170 1.00 0.00 C ATOM 786 CG ASN C 51 35.305 36.362 9.829 1.00 0.00 C ATOM 787 OD1 ASN C 51 34.793 35.822 8.847 1.00 0.00 O ATOM 788 ND2 ASN C 51 35.817 37.558 9.724 1.00 0.00 N ATOM 0 H ASN C 51 35.553 33.725 9.110 1.00 0.00 H new ATOM 0 HA ASN C 51 34.827 33.716 11.979 1.00 0.00 H new ATOM 0 HB2 ASN C 51 34.754 36.181 11.905 1.00 0.00 H new ATOM 0 HB3 ASN C 51 36.372 35.612 11.545 1.00 0.00 H new ATOM 0 HD21 ASN C 51 35.793 38.046 8.829 1.00 0.00 H new ATOM 0 HD22 ASN C 51 36.241 38.005 10.537 1.00 0.00 H new ATOM 795 N PRO C 52 32.747 33.135 10.399 1.00 0.00 N ATOM 796 CA PRO C 52 31.342 33.037 9.919 1.00 0.00 C ATOM 797 C PRO C 52 30.353 33.540 10.960 1.00 0.00 C ATOM 798 O PRO C 52 30.742 34.129 11.969 1.00 0.00 O ATOM 799 CB PRO C 52 31.150 31.547 9.657 1.00 0.00 C ATOM 800 CG PRO C 52 32.116 30.868 10.564 1.00 0.00 C ATOM 801 CD PRO C 52 33.303 31.814 10.732 1.00 0.00 C ATOM 0 HA PRO C 52 31.164 33.651 9.036 1.00 0.00 H new ATOM 0 HB2 PRO C 52 30.126 31.238 9.868 1.00 0.00 H new ATOM 0 HB3 PRO C 52 31.348 31.301 8.614 1.00 0.00 H new ATOM 0 HG2 PRO C 52 31.655 30.651 11.528 1.00 0.00 H new ATOM 0 HG3 PRO C 52 32.437 29.915 10.143 1.00 0.00 H new ATOM 0 HD2 PRO C 52 33.694 31.789 11.749 1.00 0.00 H new ATOM 0 HD3 PRO C 52 34.125 31.547 10.068 1.00 0.00 H new ATOM 809 N THR C 53 29.073 33.310 10.699 1.00 0.00 N ATOM 810 CA THR C 53 28.020 33.749 11.609 1.00 0.00 C ATOM 811 C THR C 53 27.212 32.563 12.134 1.00 0.00 C ATOM 812 O THR C 53 27.129 31.521 11.484 1.00 0.00 O ATOM 813 CB THR C 53 27.086 34.728 10.891 1.00 0.00 C ATOM 814 OG1 THR C 53 27.038 34.414 9.504 1.00 0.00 O ATOM 815 CG2 THR C 53 27.594 36.154 11.092 1.00 0.00 C ATOM 0 H THR C 53 28.738 32.823 9.867 1.00 0.00 H new ATOM 0 HA THR C 53 28.492 34.245 12.457 1.00 0.00 H new ATOM 0 HB THR C 53 26.081 34.646 11.305 1.00 0.00 H new ATOM 0 HG1 THR C 53 26.439 35.041 9.047 1.00 0.00 H new ATOM 0 HG21 THR C 53 26.930 36.852 10.582 1.00 0.00 H new ATOM 0 HG22 THR C 53 27.615 36.386 12.157 1.00 0.00 H new ATOM 0 HG23 THR C 53 28.600 36.243 10.681 1.00 0.00 H new ATOM 823 N PRO C 54 26.615 32.699 13.294 1.00 0.00 N ATOM 824 CA PRO C 54 25.797 31.605 13.900 1.00 0.00 C ATOM 825 C PRO C 54 24.570 31.252 13.059 1.00 0.00 C ATOM 826 O PRO C 54 24.077 30.127 13.112 1.00 0.00 O ATOM 827 CB PRO C 54 25.365 32.172 15.254 1.00 0.00 C ATOM 828 CG PRO C 54 25.511 33.652 15.142 1.00 0.00 C ATOM 829 CD PRO C 54 26.652 33.893 14.161 1.00 0.00 C ATOM 0 HA PRO C 54 26.368 30.679 13.975 1.00 0.00 H new ATOM 0 HB2 PRO C 54 24.335 31.897 15.482 1.00 0.00 H new ATOM 0 HB3 PRO C 54 25.986 31.778 16.059 1.00 0.00 H new ATOM 0 HG2 PRO C 54 24.588 34.108 14.785 1.00 0.00 H new ATOM 0 HG3 PRO C 54 25.732 34.096 16.113 1.00 0.00 H new ATOM 0 HD2 PRO C 54 26.504 34.809 13.590 1.00 0.00 H new ATOM 0 HD3 PRO C 54 27.609 33.988 14.673 1.00 0.00 H new ATOM 837 N GLU C 55 24.071 32.229 12.311 1.00 0.00 N ATOM 838 CA GLU C 55 22.879 32.029 11.485 1.00 0.00 C ATOM 839 C GLU C 55 23.134 30.993 10.397 1.00 0.00 C ATOM 840 O GLU C 55 22.351 30.056 10.204 1.00 0.00 O ATOM 841 CB GLU C 55 22.525 33.350 10.806 1.00 0.00 C ATOM 842 CG GLU C 55 22.328 34.414 11.877 1.00 0.00 C ATOM 843 CD GLU C 55 21.864 35.726 11.252 1.00 0.00 C ATOM 844 OE1 GLU C 55 21.822 35.798 10.035 1.00 0.00 O ATOM 845 OE2 GLU C 55 21.557 36.639 12.002 1.00 0.00 O1- ATOM 0 H GLU C 55 24.470 33.166 12.257 1.00 0.00 H new ATOM 0 HA GLU C 55 22.069 31.681 12.127 1.00 0.00 H new ATOM 0 HB2 GLU C 55 23.319 33.647 10.121 1.00 0.00 H new ATOM 0 HB3 GLU C 55 21.617 33.238 10.213 1.00 0.00 H new ATOM 0 HG2 GLU C 55 21.593 34.072 12.606 1.00 0.00 H new ATOM 0 HG3 GLU C 55 23.262 34.572 12.416 1.00 0.00 H new ATOM 852 N GLU C 56 24.246 31.175 9.693 1.00 0.00 N ATOM 853 CA GLU C 56 24.622 30.265 8.614 1.00 0.00 C ATOM 854 C GLU C 56 25.056 28.921 9.180 1.00 0.00 C ATOM 855 O GLU C 56 24.803 27.873 8.584 1.00 0.00 O ATOM 856 CB GLU C 56 25.748 30.865 7.758 1.00 0.00 C ATOM 857 CG GLU C 56 26.918 31.289 8.650 1.00 0.00 C ATOM 858 CD GLU C 56 28.102 31.749 7.800 1.00 0.00 C ATOM 859 OE1 GLU C 56 28.019 32.827 7.238 1.00 0.00 O ATOM 860 OE2 GLU C 56 29.075 31.015 7.729 1.00 0.00 O1- ATOM 0 H GLU C 56 24.901 31.941 9.848 1.00 0.00 H new ATOM 0 HA GLU C 56 23.749 30.116 7.979 1.00 0.00 H new ATOM 0 HB2 GLU C 56 26.087 30.134 7.024 1.00 0.00 H new ATOM 0 HB3 GLU C 56 25.374 31.725 7.202 1.00 0.00 H new ATOM 0 HG2 GLU C 56 26.604 32.095 9.313 1.00 0.00 H new ATOM 0 HG3 GLU C 56 27.220 30.455 9.284 1.00 0.00 H new ATOM 867 N LEU C 57 25.696 28.955 10.341 1.00 0.00 N ATOM 868 CA LEU C 57 26.143 27.731 10.989 1.00 0.00 C ATOM 869 C LEU C 57 24.943 26.875 11.364 1.00 0.00 C ATOM 870 O LEU C 57 24.971 25.648 11.232 1.00 0.00 O ATOM 871 CB LEU C 57 26.951 28.070 12.242 1.00 0.00 C ATOM 872 CG LEU C 57 28.308 28.667 11.837 1.00 0.00 C ATOM 873 CD1 LEU C 57 28.987 29.282 13.060 1.00 0.00 C ATOM 874 CD2 LEU C 57 29.221 27.579 11.251 1.00 0.00 C ATOM 0 H LEU C 57 25.916 29.811 10.850 1.00 0.00 H new ATOM 0 HA LEU C 57 26.775 27.174 10.298 1.00 0.00 H new ATOM 0 HB2 LEU C 57 26.401 28.779 12.860 1.00 0.00 H new ATOM 0 HB3 LEU C 57 27.102 27.173 12.843 1.00 0.00 H new ATOM 0 HG LEU C 57 28.136 29.434 11.082 1.00 0.00 H new ATOM 0 HD11 LEU C 57 29.949 29.704 12.768 1.00 0.00 H new ATOM 0 HD12 LEU C 57 28.354 30.069 13.470 1.00 0.00 H new ATOM 0 HD13 LEU C 57 29.143 28.512 13.815 1.00 0.00 H new ATOM 0 HD21 LEU C 57 30.178 28.019 10.970 1.00 0.00 H new ATOM 0 HD22 LEU C 57 29.385 26.801 11.997 1.00 0.00 H new ATOM 0 HD23 LEU C 57 28.749 27.143 10.370 1.00 0.00 H new ATOM 886 N GLN C 58 23.886 27.531 11.832 1.00 0.00 N ATOM 887 CA GLN C 58 22.679 26.815 12.222 1.00 0.00 C ATOM 888 C GLN C 58 22.051 26.127 11.018 1.00 0.00 C ATOM 889 O GLN C 58 21.618 24.978 11.102 1.00 0.00 O ATOM 890 CB GLN C 58 21.668 27.775 12.853 1.00 0.00 C ATOM 891 CG GLN C 58 20.448 26.987 13.338 1.00 0.00 C ATOM 892 CD GLN C 58 19.497 26.730 12.170 1.00 0.00 C ATOM 893 OE1 GLN C 58 19.367 27.569 11.280 1.00 0.00 O ATOM 894 NE2 GLN C 58 18.829 25.609 12.114 1.00 0.00 N ATOM 0 H GLN C 58 23.841 28.543 11.949 1.00 0.00 H new ATOM 0 HA GLN C 58 22.957 26.058 12.956 1.00 0.00 H new ATOM 0 HB2 GLN C 58 22.126 28.306 13.687 1.00 0.00 H new ATOM 0 HB3 GLN C 58 21.362 28.527 12.126 1.00 0.00 H new ATOM 0 HG2 GLN C 58 20.766 26.040 13.775 1.00 0.00 H new ATOM 0 HG3 GLN C 58 19.933 27.543 14.122 1.00 0.00 H new ATOM 0 HE21 GLN C 58 18.937 24.913 12.852 1.00 0.00 H new ATOM 0 HE22 GLN C 58 18.199 25.429 11.332 1.00 0.00 H new ATOM 903 N GLU C 59 22.004 26.835 9.898 1.00 0.00 N ATOM 904 CA GLU C 59 21.425 26.280 8.687 1.00 0.00 C ATOM 905 C GLU C 59 22.211 25.055 8.228 1.00 0.00 C ATOM 906 O GLU C 59 21.634 24.073 7.760 1.00 0.00 O ATOM 907 CB GLU C 59 21.410 27.341 7.590 1.00 0.00 C ATOM 908 CG GLU C 59 20.691 26.785 6.366 1.00 0.00 C ATOM 909 CD GLU C 59 20.592 27.854 5.286 1.00 0.00 C ATOM 910 OE1 GLU C 59 21.629 28.333 4.859 1.00 0.00 O ATOM 911 OE2 GLU C 59 19.481 28.176 4.899 1.00 0.00 O1- ATOM 0 H GLU C 59 22.357 27.787 9.805 1.00 0.00 H new ATOM 0 HA GLU C 59 20.402 25.969 8.897 1.00 0.00 H new ATOM 0 HB2 GLU C 59 20.907 28.241 7.944 1.00 0.00 H new ATOM 0 HB3 GLU C 59 22.429 27.627 7.330 1.00 0.00 H new ATOM 0 HG2 GLU C 59 21.228 25.918 5.982 1.00 0.00 H new ATOM 0 HG3 GLU C 59 19.694 26.445 6.644 1.00 0.00 H new ATOM 918 N MET C 60 23.530 25.117 8.363 1.00 0.00 N ATOM 919 CA MET C 60 24.381 24.012 7.957 1.00 0.00 C ATOM 920 C MET C 60 24.013 22.749 8.728 1.00 0.00 C ATOM 921 O MET C 60 23.867 21.675 8.145 1.00 0.00 O ATOM 922 CB MET C 60 25.839 24.376 8.231 1.00 0.00 C ATOM 923 CG MET C 60 26.743 23.231 7.783 1.00 0.00 C ATOM 924 SD MET C 60 28.477 23.719 7.958 1.00 0.00 S ATOM 925 CE MET C 60 29.207 22.165 7.385 1.00 0.00 C ATOM 0 H MET C 60 24.029 25.918 8.749 1.00 0.00 H new ATOM 0 HA MET C 60 24.241 23.824 6.893 1.00 0.00 H new ATOM 0 HB2 MET C 60 26.102 25.291 7.700 1.00 0.00 H new ATOM 0 HB3 MET C 60 25.982 24.572 9.294 1.00 0.00 H new ATOM 0 HG2 MET C 60 26.543 22.342 8.381 1.00 0.00 H new ATOM 0 HG3 MET C 60 26.531 22.972 6.746 1.00 0.00 H new ATOM 0 HE1 MET C 60 30.294 22.242 7.411 1.00 0.00 H new ATOM 0 HE2 MET C 60 28.886 21.351 8.035 1.00 0.00 H new ATOM 0 HE3 MET C 60 28.882 21.965 6.364 1.00 0.00 H new ATOM 935 N ILE C 61 23.857 22.885 10.039 1.00 0.00 N ATOM 936 CA ILE C 61 23.497 21.740 10.867 1.00 0.00 C ATOM 937 C ILE C 61 22.108 21.237 10.494 1.00 0.00 C ATOM 938 O ILE C 61 21.864 20.035 10.441 1.00 0.00 O ATOM 939 CB ILE C 61 23.534 22.113 12.343 1.00 0.00 C ATOM 940 CG1 ILE C 61 24.978 22.433 12.726 1.00 0.00 C ATOM 941 CG2 ILE C 61 23.036 20.926 13.174 1.00 0.00 C ATOM 942 CD1 ILE C 61 25.016 23.000 14.139 1.00 0.00 C ATOM 0 H ILE C 61 23.972 23.762 10.546 1.00 0.00 H new ATOM 0 HA ILE C 61 24.223 20.947 10.690 1.00 0.00 H new ATOM 0 HB ILE C 61 22.898 22.978 12.531 1.00 0.00 H new ATOM 0 HG12 ILE C 61 25.589 21.532 12.668 1.00 0.00 H new ATOM 0 HG13 ILE C 61 25.401 23.151 12.023 1.00 0.00 H new ATOM 0 HG21 ILE C 61 23.060 21.187 14.232 1.00 0.00 H new ATOM 0 HG22 ILE C 61 22.014 20.682 12.884 1.00 0.00 H new ATOM 0 HG23 ILE C 61 23.679 20.064 12.998 1.00 0.00 H new ATOM 0 HD11 ILE C 61 26.046 23.228 14.412 1.00 0.00 H new ATOM 0 HD12 ILE C 61 24.419 23.911 14.182 1.00 0.00 H new ATOM 0 HD13 ILE C 61 24.610 22.267 14.836 1.00 0.00 H new ATOM 954 N ASP C 62 21.197 22.173 10.245 1.00 0.00 N ATOM 955 CA ASP C 62 19.827 21.827 9.885 1.00 0.00 C ATOM 956 C ASP C 62 19.792 20.982 8.614 1.00 0.00 C ATOM 957 O ASP C 62 18.921 20.129 8.448 1.00 0.00 O ATOM 958 CB ASP C 62 18.997 23.096 9.687 1.00 0.00 C ATOM 959 CG ASP C 62 17.514 22.749 9.742 1.00 0.00 C ATOM 960 OD1 ASP C 62 17.092 21.920 8.954 1.00 0.00 O ATOM 961 OD2 ASP C 62 16.824 23.308 10.579 1.00 0.00 O1- ATOM 0 H ASP C 62 21.383 23.175 10.286 1.00 0.00 H new ATOM 0 HA ASP C 62 19.401 21.242 10.700 1.00 0.00 H new ATOM 0 HB2 ASP C 62 19.239 23.826 10.460 1.00 0.00 H new ATOM 0 HB3 ASP C 62 19.238 23.555 8.728 1.00 0.00 H new ATOM 966 N GLU C 63 20.737 21.230 7.712 1.00 0.00 N ATOM 967 CA GLU C 63 20.799 20.497 6.457 1.00 0.00 C ATOM 968 C GLU C 63 20.964 18.996 6.709 1.00 0.00 C ATOM 969 O GLU C 63 20.314 18.176 6.060 1.00 0.00 O ATOM 970 CB GLU C 63 21.989 21.006 5.639 1.00 0.00 C ATOM 971 CG GLU C 63 21.993 20.328 4.271 1.00 0.00 C ATOM 972 CD GLU C 63 23.160 20.839 3.433 1.00 0.00 C ATOM 973 OE1 GLU C 63 23.934 21.627 3.948 1.00 0.00 O ATOM 974 OE2 GLU C 63 23.261 20.435 2.286 1.00 0.00 O1- ATOM 0 H GLU C 63 21.468 21.932 7.829 1.00 0.00 H new ATOM 0 HA GLU C 63 19.868 20.656 5.912 1.00 0.00 H new ATOM 0 HB2 GLU C 63 21.927 22.088 5.521 1.00 0.00 H new ATOM 0 HB3 GLU C 63 22.921 20.796 6.164 1.00 0.00 H new ATOM 0 HG2 GLU C 63 22.069 19.248 4.393 1.00 0.00 H new ATOM 0 HG3 GLU C 63 21.053 20.525 3.757 1.00 0.00 H new ATOM 981 N VAL C 64 21.839 18.642 7.647 1.00 0.00 N ATOM 982 CA VAL C 64 22.078 17.235 7.963 1.00 0.00 C ATOM 983 C VAL C 64 21.179 16.754 9.096 1.00 0.00 C ATOM 984 O VAL C 64 20.841 15.572 9.170 1.00 0.00 O ATOM 985 CB VAL C 64 23.541 17.026 8.361 1.00 0.00 C ATOM 986 CG1 VAL C 64 24.435 17.160 7.129 1.00 0.00 C ATOM 987 CG2 VAL C 64 23.940 18.080 9.394 1.00 0.00 C ATOM 0 H VAL C 64 22.389 19.302 8.197 1.00 0.00 H new ATOM 0 HA VAL C 64 21.848 16.655 7.069 1.00 0.00 H new ATOM 0 HB VAL C 64 23.661 16.030 8.787 1.00 0.00 H new ATOM 0 HG11 VAL C 64 25.476 17.011 7.417 1.00 0.00 H new ATOM 0 HG12 VAL C 64 24.151 16.410 6.390 1.00 0.00 H new ATOM 0 HG13 VAL C 64 24.316 18.155 6.700 1.00 0.00 H new ATOM 0 HG21 VAL C 64 24.982 17.934 9.679 1.00 0.00 H new ATOM 0 HG22 VAL C 64 23.818 19.075 8.965 1.00 0.00 H new ATOM 0 HG23 VAL C 64 23.306 17.984 10.275 1.00 0.00 H new ATOM 997 N ASP C 65 20.801 17.669 9.980 1.00 0.00 N ATOM 998 CA ASP C 65 19.950 17.313 11.111 1.00 0.00 C ATOM 999 C ASP C 65 18.505 17.166 10.661 1.00 0.00 C ATOM 1000 O ASP C 65 17.851 18.143 10.298 1.00 0.00 O ATOM 1001 CB ASP C 65 20.032 18.394 12.179 1.00 0.00 C ATOM 1002 CG ASP C 65 19.330 17.937 13.449 1.00 0.00 C ATOM 1003 OD1 ASP C 65 18.966 16.775 13.517 1.00 0.00 O ATOM 1004 OD2 ASP C 65 19.161 18.759 14.335 1.00 0.00 O1- ATOM 0 H ASP C 65 21.066 18.653 9.938 1.00 0.00 H new ATOM 0 HA ASP C 65 20.297 16.364 11.519 1.00 0.00 H new ATOM 0 HB2 ASP C 65 21.076 18.623 12.395 1.00 0.00 H new ATOM 0 HB3 ASP C 65 19.573 19.312 11.812 1.00 0.00 H new ATOM 1009 N GLU C 66 18.018 15.934 10.676 1.00 0.00 N ATOM 1010 CA GLU C 66 16.650 15.656 10.262 1.00 0.00 C ATOM 1011 C GLU C 66 15.652 16.272 11.241 1.00 0.00 C ATOM 1012 O GLU C 66 14.615 16.796 10.835 1.00 0.00 O ATOM 1013 CB GLU C 66 16.429 14.141 10.190 1.00 0.00 C ATOM 1014 CG GLU C 66 17.267 13.545 9.051 1.00 0.00 C ATOM 1015 CD GLU C 66 18.728 13.412 9.478 1.00 0.00 C ATOM 1016 OE1 GLU C 66 18.998 13.547 10.659 1.00 0.00 O ATOM 1017 OE2 GLU C 66 19.555 13.182 8.612 1.00 0.00 O1- ATOM 0 H GLU C 66 18.547 15.113 10.969 1.00 0.00 H new ATOM 0 HA GLU C 66 16.491 16.098 9.278 1.00 0.00 H new ATOM 0 HB2 GLU C 66 16.706 13.679 11.137 1.00 0.00 H new ATOM 0 HB3 GLU C 66 15.373 13.926 10.027 1.00 0.00 H new ATOM 0 HG2 GLU C 66 16.872 12.568 8.773 1.00 0.00 H new ATOM 0 HG3 GLU C 66 17.196 14.180 8.168 1.00 0.00 H new ATOM 1024 N ASP C 67 15.966 16.197 12.532 1.00 0.00 N ATOM 1025 CA ASP C 67 15.076 16.745 13.548 1.00 0.00 C ATOM 1026 C ASP C 67 15.186 18.261 13.606 1.00 0.00 C ATOM 1027 O ASP C 67 14.339 18.932 14.199 1.00 0.00 O ATOM 1028 CB ASP C 67 15.419 16.137 14.910 1.00 0.00 C ATOM 1029 CG ASP C 67 16.919 16.233 15.161 1.00 0.00 C ATOM 1030 OD1 ASP C 67 17.421 17.341 15.216 1.00 0.00 O ATOM 1031 OD2 ASP C 67 17.545 15.194 15.287 1.00 0.00 O1- ATOM 0 H ASP C 67 16.818 15.768 12.894 1.00 0.00 H new ATOM 0 HA ASP C 67 14.049 16.492 13.286 1.00 0.00 H new ATOM 0 HB2 ASP C 67 14.876 16.659 15.698 1.00 0.00 H new ATOM 0 HB3 ASP C 67 15.103 15.094 14.942 1.00 0.00 H new ATOM 1036 N GLY C 68 16.218 18.801 12.971 1.00 0.00 N ATOM 1037 CA GLY C 68 16.402 20.246 12.946 1.00 0.00 C ATOM 1038 C GLY C 68 16.710 20.769 14.343 1.00 0.00 C ATOM 1039 O GLY C 68 16.560 21.961 14.614 1.00 0.00 O ATOM 0 H GLY C 68 16.932 18.269 12.473 1.00 0.00 H new ATOM 0 HA2 GLY C 68 17.215 20.503 12.268 1.00 0.00 H new ATOM 0 HA3 GLY C 68 15.502 20.726 12.562 1.00 0.00 H new ATOM 1043 N SER C 69 17.123 19.871 15.229 1.00 0.00 N ATOM 1044 CA SER C 69 17.431 20.253 16.602 1.00 0.00 C ATOM 1045 C SER C 69 18.565 21.269 16.635 1.00 0.00 C ATOM 1046 O SER C 69 18.718 22.008 17.607 1.00 0.00 O ATOM 1047 CB SER C 69 17.824 19.023 17.423 1.00 0.00 C ATOM 1048 OG SER C 69 19.018 18.464 16.895 1.00 0.00 O ATOM 0 H SER C 69 17.252 18.880 15.024 1.00 0.00 H new ATOM 0 HA SER C 69 16.538 20.704 17.035 1.00 0.00 H new ATOM 0 HB2 SER C 69 17.970 19.301 18.467 1.00 0.00 H new ATOM 0 HB3 SER C 69 17.022 18.285 17.399 1.00 0.00 H new ATOM 0 HG SER C 69 18.852 18.135 15.987 1.00 0.00 H new ATOM 1054 N GLY C 70 19.356 21.307 15.568 1.00 0.00 N ATOM 1055 CA GLY C 70 20.467 22.246 15.497 1.00 0.00 C ATOM 1056 C GLY C 70 21.700 21.692 16.200 1.00 0.00 C ATOM 1057 O GLY C 70 22.672 22.412 16.426 1.00 0.00 O ATOM 0 H GLY C 70 19.250 20.706 14.751 1.00 0.00 H new ATOM 0 HA2 GLY C 70 20.703 22.456 14.454 1.00 0.00 H new ATOM 0 HA3 GLY C 70 20.178 23.192 15.955 1.00 0.00 H new ATOM 1061 N THR C 71 21.656 20.409 16.542 1.00 0.00 N ATOM 1062 CA THR C 71 22.780 19.765 17.212 1.00 0.00 C ATOM 1063 C THR C 71 23.082 18.418 16.560 1.00 0.00 C ATOM 1064 O THR C 71 22.210 17.821 15.928 1.00 0.00 O ATOM 1065 CB THR C 71 22.456 19.557 18.691 1.00 0.00 C ATOM 1066 OG1 THR C 71 21.330 18.699 18.809 1.00 0.00 O ATOM 1067 CG2 THR C 71 22.145 20.905 19.343 1.00 0.00 C ATOM 0 H THR C 71 20.859 19.797 16.368 1.00 0.00 H new ATOM 0 HA THR C 71 23.655 20.408 17.121 1.00 0.00 H new ATOM 0 HB THR C 71 23.312 19.105 19.192 1.00 0.00 H new ATOM 0 HG1 THR C 71 20.818 18.715 17.974 1.00 0.00 H new ATOM 0 HG21 THR C 71 21.914 20.754 20.398 1.00 0.00 H new ATOM 0 HG22 THR C 71 23.010 21.562 19.251 1.00 0.00 H new ATOM 0 HG23 THR C 71 21.289 21.361 18.846 1.00 0.00 H new ATOM 1075 N VAL C 72 24.316 17.944 16.727 1.00 0.00 N ATOM 1076 CA VAL C 72 24.715 16.658 16.153 1.00 0.00 C ATOM 1077 C VAL C 72 25.198 15.723 17.261 1.00 0.00 C ATOM 1078 O VAL C 72 26.119 16.056 18.013 1.00 0.00 O ATOM 1079 CB VAL C 72 25.837 16.872 15.125 1.00 0.00 C ATOM 1080 CG1 VAL C 72 26.173 15.564 14.395 1.00 0.00 C ATOM 1081 CG2 VAL C 72 25.405 17.930 14.110 1.00 0.00 C ATOM 0 H VAL C 72 25.050 18.424 17.249 1.00 0.00 H new ATOM 0 HA VAL C 72 23.856 16.207 15.655 1.00 0.00 H new ATOM 0 HB VAL C 72 26.729 17.208 15.654 1.00 0.00 H new ATOM 0 HG11 VAL C 72 26.970 15.744 13.674 1.00 0.00 H new ATOM 0 HG12 VAL C 72 26.501 14.817 15.118 1.00 0.00 H new ATOM 0 HG13 VAL C 72 25.287 15.200 13.874 1.00 0.00 H new ATOM 0 HG21 VAL C 72 26.201 18.081 13.381 1.00 0.00 H new ATOM 0 HG22 VAL C 72 24.503 17.596 13.598 1.00 0.00 H new ATOM 0 HG23 VAL C 72 25.203 18.868 14.626 1.00 0.00 H new ATOM 1091 N ASP C 73 24.568 14.552 17.350 1.00 0.00 N ATOM 1092 CA ASP C 73 24.928 13.557 18.354 1.00 0.00 C ATOM 1093 C ASP C 73 25.861 12.511 17.755 1.00 0.00 C ATOM 1094 O ASP C 73 26.360 12.675 16.644 1.00 0.00 O ATOM 1095 CB ASP C 73 23.674 12.877 18.900 1.00 0.00 C ATOM 1096 CG ASP C 73 22.979 12.099 17.791 1.00 0.00 C ATOM 1097 OD1 ASP C 73 23.482 12.116 16.681 1.00 0.00 O ATOM 1098 OD2 ASP C 73 21.955 11.498 18.064 1.00 0.00 O1- ATOM 0 H ASP C 73 23.804 14.271 16.736 1.00 0.00 H new ATOM 0 HA ASP C 73 25.442 14.064 19.171 1.00 0.00 H new ATOM 0 HB2 ASP C 73 23.941 12.204 19.715 1.00 0.00 H new ATOM 0 HB3 ASP C 73 22.995 13.624 19.312 1.00 0.00 H new ATOM 1103 N PHE C 74 26.097 11.435 18.499 1.00 0.00 N ATOM 1104 CA PHE C 74 26.977 10.376 18.021 1.00 0.00 C ATOM 1105 C PHE C 74 26.461 9.760 16.721 1.00 0.00 C ATOM 1106 O PHE C 74 27.212 9.602 15.770 1.00 0.00 O ATOM 1107 CB PHE C 74 27.092 9.276 19.080 1.00 0.00 C ATOM 1108 CG PHE C 74 28.151 9.651 20.088 1.00 0.00 C ATOM 1109 CD1 PHE C 74 29.503 9.523 19.752 1.00 0.00 C ATOM 1110 CD2 PHE C 74 27.785 10.121 21.354 1.00 0.00 C ATOM 1111 CE1 PHE C 74 30.492 9.863 20.680 1.00 0.00 C ATOM 1112 CE2 PHE C 74 28.775 10.462 22.285 1.00 0.00 C ATOM 1113 CZ PHE C 74 30.127 10.332 21.948 1.00 0.00 C ATOM 0 H PHE C 74 25.697 11.275 19.423 1.00 0.00 H new ATOM 0 HA PHE C 74 27.954 10.821 17.831 1.00 0.00 H new ATOM 0 HB2 PHE C 74 26.133 9.137 19.580 1.00 0.00 H new ATOM 0 HB3 PHE C 74 27.346 8.327 18.607 1.00 0.00 H new ATOM 0 HD1 PHE C 74 29.783 9.161 18.774 1.00 0.00 H new ATOM 0 HD2 PHE C 74 26.741 10.221 21.613 1.00 0.00 H new ATOM 0 HE1 PHE C 74 31.535 9.764 20.419 1.00 0.00 H new ATOM 0 HE2 PHE C 74 28.495 10.825 23.263 1.00 0.00 H new ATOM 0 HZ PHE C 74 30.890 10.594 22.667 1.00 0.00 H new ATOM 1123 N ASP C 75 25.187 9.402 16.685 1.00 0.00 N ATOM 1124 CA ASP C 75 24.616 8.790 15.490 1.00 0.00 C ATOM 1125 C ASP C 75 24.656 9.747 14.305 1.00 0.00 C ATOM 1126 O ASP C 75 25.037 9.364 13.200 1.00 0.00 O ATOM 1127 CB ASP C 75 23.163 8.394 15.762 1.00 0.00 C ATOM 1128 CG ASP C 75 23.099 7.206 16.717 1.00 0.00 C ATOM 1129 OD1 ASP C 75 24.127 6.584 16.932 1.00 0.00 O ATOM 1130 OD2 ASP C 75 22.021 6.939 17.220 1.00 0.00 O1- ATOM 0 H ASP C 75 24.533 9.522 17.459 1.00 0.00 H new ATOM 0 HA ASP C 75 25.210 7.909 15.245 1.00 0.00 H new ATOM 0 HB2 ASP C 75 22.624 9.240 16.189 1.00 0.00 H new ATOM 0 HB3 ASP C 75 22.668 8.141 14.824 1.00 0.00 H new ATOM 1135 N GLU C 76 24.271 10.993 14.548 1.00 0.00 N ATOM 1136 CA GLU C 76 24.279 11.998 13.496 1.00 0.00 C ATOM 1137 C GLU C 76 25.716 12.298 13.094 1.00 0.00 C ATOM 1138 O GLU C 76 26.015 12.517 11.921 1.00 0.00 O ATOM 1139 CB GLU C 76 23.563 13.268 13.958 1.00 0.00 C ATOM 1140 CG GLU C 76 22.066 12.975 14.107 1.00 0.00 C ATOM 1141 CD GLU C 76 21.321 14.223 14.574 1.00 0.00 C ATOM 1142 OE1 GLU C 76 21.962 15.247 14.732 1.00 0.00 O ATOM 1143 OE2 GLU C 76 20.120 14.133 14.769 1.00 0.00 O1- ATOM 0 H GLU C 76 23.952 11.329 15.457 1.00 0.00 H new ATOM 0 HA GLU C 76 23.743 11.614 12.628 1.00 0.00 H new ATOM 0 HB2 GLU C 76 23.976 13.608 14.908 1.00 0.00 H new ATOM 0 HB3 GLU C 76 23.719 14.071 13.237 1.00 0.00 H new ATOM 0 HG2 GLU C 76 21.659 12.637 13.154 1.00 0.00 H new ATOM 0 HG3 GLU C 76 21.917 12.166 14.822 1.00 0.00 H new ATOM 1150 N PHE C 77 26.603 12.285 14.080 1.00 0.00 N ATOM 1151 CA PHE C 77 28.014 12.535 13.827 1.00 0.00 C ATOM 1152 C PHE C 77 28.551 11.536 12.817 1.00 0.00 C ATOM 1153 O PHE C 77 29.224 11.911 11.857 1.00 0.00 O ATOM 1154 CB PHE C 77 28.814 12.430 15.131 1.00 0.00 C ATOM 1155 CG PHE C 77 30.281 12.195 14.825 1.00 0.00 C ATOM 1156 CD1 PHE C 77 30.953 13.015 13.909 1.00 0.00 C ATOM 1157 CD2 PHE C 77 30.971 11.152 15.463 1.00 0.00 C ATOM 1158 CE1 PHE C 77 32.309 12.790 13.630 1.00 0.00 C ATOM 1159 CE2 PHE C 77 32.327 10.927 15.186 1.00 0.00 C ATOM 1160 CZ PHE C 77 32.995 11.747 14.269 1.00 0.00 C ATOM 0 H PHE C 77 26.372 12.105 15.057 1.00 0.00 H new ATOM 0 HA PHE C 77 28.120 13.542 13.424 1.00 0.00 H new ATOM 0 HB2 PHE C 77 28.698 13.344 15.713 1.00 0.00 H new ATOM 0 HB3 PHE C 77 28.426 11.613 15.740 1.00 0.00 H new ATOM 0 HD1 PHE C 77 30.427 13.820 13.418 1.00 0.00 H new ATOM 0 HD2 PHE C 77 30.455 10.520 16.171 1.00 0.00 H new ATOM 0 HE1 PHE C 77 32.826 13.421 12.922 1.00 0.00 H new ATOM 0 HE2 PHE C 77 32.854 10.124 15.679 1.00 0.00 H new ATOM 0 HZ PHE C 77 34.039 11.576 14.053 1.00 0.00 H new ATOM 1170 N LEU C 78 28.252 10.259 13.029 1.00 0.00 N ATOM 1171 CA LEU C 78 28.726 9.233 12.107 1.00 0.00 C ATOM 1172 C LEU C 78 28.151 9.466 10.711 1.00 0.00 C ATOM 1173 O LEU C 78 28.843 9.285 9.709 1.00 0.00 O ATOM 1174 CB LEU C 78 28.331 7.840 12.613 1.00 0.00 C ATOM 1175 CG LEU C 78 29.488 7.222 13.410 1.00 0.00 C ATOM 1176 CD1 LEU C 78 30.684 6.927 12.494 1.00 0.00 C ATOM 1177 CD2 LEU C 78 29.912 8.198 14.503 1.00 0.00 C ATOM 0 H LEU C 78 27.697 9.914 13.812 1.00 0.00 H new ATOM 0 HA LEU C 78 29.813 9.292 12.052 1.00 0.00 H new ATOM 0 HB2 LEU C 78 27.443 7.911 13.241 1.00 0.00 H new ATOM 0 HB3 LEU C 78 28.075 7.197 11.771 1.00 0.00 H new ATOM 0 HG LEU C 78 29.153 6.283 13.851 1.00 0.00 H new ATOM 0 HD11 LEU C 78 31.492 6.490 13.080 1.00 0.00 H new ATOM 0 HD12 LEU C 78 30.382 6.228 11.714 1.00 0.00 H new ATOM 0 HD13 LEU C 78 31.029 7.854 12.036 1.00 0.00 H new ATOM 0 HD21 LEU C 78 30.734 7.768 15.076 1.00 0.00 H new ATOM 0 HD22 LEU C 78 30.236 9.134 14.049 1.00 0.00 H new ATOM 0 HD23 LEU C 78 29.069 8.390 15.167 1.00 0.00 H new ATOM 1189 N VAL C 79 26.884 9.870 10.659 1.00 0.00 N ATOM 1190 CA VAL C 79 26.215 10.131 9.389 1.00 0.00 C ATOM 1191 C VAL C 79 26.885 11.271 8.639 1.00 0.00 C ATOM 1192 O VAL C 79 27.066 11.212 7.429 1.00 0.00 O ATOM 1193 CB VAL C 79 24.746 10.477 9.638 1.00 0.00 C ATOM 1194 CG1 VAL C 79 24.110 10.984 8.345 1.00 0.00 C ATOM 1195 CG2 VAL C 79 23.996 9.233 10.118 1.00 0.00 C ATOM 0 H VAL C 79 26.301 10.023 11.482 1.00 0.00 H new ATOM 0 HA VAL C 79 26.284 9.230 8.779 1.00 0.00 H new ATOM 0 HB VAL C 79 24.687 11.253 10.401 1.00 0.00 H new ATOM 0 HG11 VAL C 79 23.064 11.229 8.526 1.00 0.00 H new ATOM 0 HG12 VAL C 79 24.638 11.875 8.005 1.00 0.00 H new ATOM 0 HG13 VAL C 79 24.174 10.210 7.580 1.00 0.00 H new ATOM 0 HG21 VAL C 79 22.950 9.484 10.294 1.00 0.00 H new ATOM 0 HG22 VAL C 79 24.059 8.454 9.358 1.00 0.00 H new ATOM 0 HG23 VAL C 79 24.444 8.873 11.044 1.00 0.00 H new ATOM 1205 N MET C 80 27.246 12.309 9.358 1.00 0.00 N ATOM 1206 CA MET C 80 27.898 13.438 8.734 1.00 0.00 C ATOM 1207 C MET C 80 29.307 13.050 8.299 1.00 0.00 C ATOM 1208 O MET C 80 29.796 13.497 7.262 1.00 0.00 O ATOM 1209 CB MET C 80 27.941 14.622 9.704 1.00 0.00 C ATOM 1210 CG MET C 80 28.603 15.821 9.019 1.00 0.00 C ATOM 1211 SD MET C 80 30.401 15.723 9.212 1.00 0.00 S ATOM 1212 CE MET C 80 30.498 16.339 10.913 1.00 0.00 C ATOM 0 H MET C 80 27.102 12.396 10.364 1.00 0.00 H new ATOM 0 HA MET C 80 27.331 13.735 7.852 1.00 0.00 H new ATOM 0 HB2 MET C 80 26.931 14.883 10.021 1.00 0.00 H new ATOM 0 HB3 MET C 80 28.497 14.350 10.602 1.00 0.00 H new ATOM 0 HG2 MET C 80 28.342 15.836 7.961 1.00 0.00 H new ATOM 0 HG3 MET C 80 28.232 16.750 9.452 1.00 0.00 H new ATOM 0 HE1 MET C 80 31.047 17.281 10.928 1.00 0.00 H new ATOM 0 HE2 MET C 80 29.492 16.499 11.300 1.00 0.00 H new ATOM 0 HE3 MET C 80 31.014 15.608 11.536 1.00 0.00 H new ATOM 1222 N MET C 81 29.960 12.234 9.123 1.00 0.00 N ATOM 1223 CA MET C 81 31.327 11.808 8.839 1.00 0.00 C ATOM 1224 C MET C 81 31.415 10.955 7.572 1.00 0.00 C ATOM 1225 O MET C 81 32.254 11.203 6.700 1.00 0.00 O ATOM 1226 CB MET C 81 31.873 11.006 10.026 1.00 0.00 C ATOM 1227 CG MET C 81 33.395 10.885 9.904 1.00 0.00 C ATOM 1228 SD MET C 81 34.152 12.502 10.207 1.00 0.00 S ATOM 1229 CE MET C 81 35.644 12.253 9.213 1.00 0.00 C ATOM 0 H MET C 81 29.568 11.857 9.986 1.00 0.00 H new ATOM 0 HA MET C 81 31.923 12.707 8.679 1.00 0.00 H new ATOM 0 HB2 MET C 81 31.611 11.498 10.963 1.00 0.00 H new ATOM 0 HB3 MET C 81 31.419 10.015 10.049 1.00 0.00 H new ATOM 0 HG2 MET C 81 33.772 10.155 10.620 1.00 0.00 H new ATOM 0 HG3 MET C 81 33.664 10.525 8.911 1.00 0.00 H new ATOM 0 HE1 MET C 81 36.266 13.147 9.260 1.00 0.00 H new ATOM 0 HE2 MET C 81 36.202 11.401 9.602 1.00 0.00 H new ATOM 0 HE3 MET C 81 35.363 12.061 8.177 1.00 0.00 H new ATOM 1239 N VAL C 82 30.549 9.950 7.470 1.00 0.00 N ATOM 1240 CA VAL C 82 30.558 9.072 6.306 1.00 0.00 C ATOM 1241 C VAL C 82 30.121 9.835 5.067 1.00 0.00 C ATOM 1242 O VAL C 82 30.671 9.647 3.981 1.00 0.00 O ATOM 1243 CB VAL C 82 29.628 7.879 6.544 1.00 0.00 C ATOM 1244 CG1 VAL C 82 28.177 8.319 6.393 1.00 0.00 C ATOM 1245 CG2 VAL C 82 29.930 6.771 5.530 1.00 0.00 C ATOM 0 H VAL C 82 29.841 9.726 8.170 1.00 0.00 H new ATOM 0 HA VAL C 82 31.573 8.706 6.150 1.00 0.00 H new ATOM 0 HB VAL C 82 29.791 7.500 7.553 1.00 0.00 H new ATOM 0 HG11 VAL C 82 27.519 7.467 6.563 1.00 0.00 H new ATOM 0 HG12 VAL C 82 27.956 9.099 7.121 1.00 0.00 H new ATOM 0 HG13 VAL C 82 28.017 8.706 5.387 1.00 0.00 H new ATOM 0 HG21 VAL C 82 29.265 5.926 5.706 1.00 0.00 H new ATOM 0 HG22 VAL C 82 29.776 7.150 4.520 1.00 0.00 H new ATOM 0 HG23 VAL C 82 30.965 6.447 5.642 1.00 0.00 H new ATOM 1255 N ARG C 83 29.129 10.696 5.234 1.00 0.00 N ATOM 1256 CA ARG C 83 28.632 11.478 4.118 1.00 0.00 C ATOM 1257 C ARG C 83 29.737 12.372 3.557 1.00 0.00 C ATOM 1258 O ARG C 83 29.872 12.520 2.342 1.00 0.00 O ATOM 1259 CB ARG C 83 27.444 12.320 4.577 1.00 0.00 C ATOM 1260 CG ARG C 83 26.816 13.020 3.377 1.00 0.00 C ATOM 1261 CD ARG C 83 25.432 13.526 3.775 1.00 0.00 C ATOM 1262 NE ARG C 83 24.817 14.233 2.657 1.00 0.00 N ATOM 1263 CZ ARG C 83 23.496 14.249 2.471 1.00 0.00 C ATOM 1264 NH1 ARG C 83 22.701 13.604 3.284 1.00 0.00 N ATOM 1265 NH2 ARG C 83 22.993 14.910 1.465 1.00 0.00 N1+ ATOM 0 H ARG C 83 28.658 10.868 6.122 1.00 0.00 H new ATOM 0 HA ARG C 83 28.308 10.804 3.325 1.00 0.00 H new ATOM 0 HB2 ARG C 83 26.705 11.687 5.068 1.00 0.00 H new ATOM 0 HB3 ARG C 83 27.770 13.057 5.311 1.00 0.00 H new ATOM 0 HG2 ARG C 83 27.443 13.850 3.053 1.00 0.00 H new ATOM 0 HG3 ARG C 83 26.739 12.332 2.535 1.00 0.00 H new ATOM 0 HD2 ARG C 83 24.803 12.689 4.076 1.00 0.00 H new ATOM 0 HD3 ARG C 83 25.512 14.190 4.636 1.00 0.00 H new ATOM 0 HE ARG C 83 25.415 14.730 1.997 1.00 0.00 H new ATOM 0 HH11 ARG C 83 23.089 13.082 4.070 1.00 0.00 H new ATOM 0 HH12 ARG C 83 21.692 13.623 3.133 1.00 0.00 H new ATOM 0 HH21 ARG C 83 23.609 15.411 0.825 1.00 0.00 H new ATOM 0 HH22 ARG C 83 21.984 14.925 1.318 1.00 0.00 H new ATOM 1279 N CYS C 84 30.529 12.969 4.447 1.00 0.00 N ATOM 1280 CA CYS C 84 31.618 13.845 4.023 1.00 0.00 C ATOM 1281 C CYS C 84 32.633 13.072 3.189 1.00 0.00 C ATOM 1282 O CYS C 84 33.133 13.574 2.184 1.00 0.00 O ATOM 1283 CB CYS C 84 32.322 14.437 5.245 1.00 0.00 C ATOM 1284 SG CYS C 84 31.221 15.616 6.063 1.00 0.00 S ATOM 0 H CYS C 84 30.438 12.863 5.457 1.00 0.00 H new ATOM 0 HA CYS C 84 31.194 14.647 3.419 1.00 0.00 H new ATOM 0 HB2 CYS C 84 32.601 13.643 5.938 1.00 0.00 H new ATOM 0 HB3 CYS C 84 33.244 14.934 4.942 1.00 0.00 H new ATOM 0 HG CYS C 84 30.704 15.065 7.121 1.00 0.00 H new ATOM 1290 N MET C 85 32.942 11.851 3.611 1.00 0.00 N ATOM 1291 CA MET C 85 33.901 11.035 2.879 1.00 0.00 C ATOM 1292 C MET C 85 33.383 10.732 1.476 1.00 0.00 C ATOM 1293 O MET C 85 34.140 10.765 0.505 1.00 0.00 O ATOM 1294 CB MET C 85 34.151 9.728 3.635 1.00 0.00 C ATOM 1295 CG MET C 85 34.929 10.030 4.918 1.00 0.00 C ATOM 1296 SD MET C 85 36.624 10.537 4.516 1.00 0.00 S ATOM 1297 CE MET C 85 37.320 8.899 4.162 1.00 0.00 C ATOM 0 H MET C 85 32.549 11.410 4.443 1.00 0.00 H new ATOM 0 HA MET C 85 34.837 11.587 2.793 1.00 0.00 H new ATOM 0 HB2 MET C 85 33.203 9.246 3.875 1.00 0.00 H new ATOM 0 HB3 MET C 85 34.713 9.034 3.010 1.00 0.00 H new ATOM 0 HG2 MET C 85 34.428 10.820 5.479 1.00 0.00 H new ATOM 0 HG3 MET C 85 34.947 9.148 5.558 1.00 0.00 H new ATOM 0 HE1 MET C 85 38.199 8.735 4.785 1.00 0.00 H new ATOM 0 HE2 MET C 85 36.575 8.133 4.376 1.00 0.00 H new ATOM 0 HE3 MET C 85 37.605 8.844 3.111 1.00 0.00 H new ATOM 1307 N LYS C 86 32.091 10.435 1.381 1.00 0.00 N ATOM 1308 CA LYS C 86 31.480 10.125 0.093 1.00 0.00 C ATOM 1309 C LYS C 86 31.383 11.369 -0.785 1.00 0.00 C ATOM 1310 O LYS C 86 31.399 11.272 -2.011 1.00 0.00 O ATOM 1311 CB LYS C 86 30.085 9.533 0.300 1.00 0.00 C ATOM 1312 CG LYS C 86 30.220 8.161 0.965 1.00 0.00 C ATOM 1313 CD LYS C 86 28.853 7.470 1.082 1.00 0.00 C ATOM 1314 CE LYS C 86 28.394 6.944 -0.287 1.00 0.00 C ATOM 1315 NZ LYS C 86 27.257 5.994 -0.094 1.00 0.00 N1+ ATOM 0 H LYS C 86 31.451 10.402 2.174 1.00 0.00 H new ATOM 0 HA LYS C 86 32.114 9.395 -0.411 1.00 0.00 H new ATOM 0 HB2 LYS C 86 29.483 10.195 0.922 1.00 0.00 H new ATOM 0 HB3 LYS C 86 29.570 9.439 -0.656 1.00 0.00 H new ATOM 0 HG2 LYS C 86 30.899 7.536 0.384 1.00 0.00 H new ATOM 0 HG3 LYS C 86 30.660 8.275 1.956 1.00 0.00 H new ATOM 0 HD2 LYS C 86 28.916 6.645 1.792 1.00 0.00 H new ATOM 0 HD3 LYS C 86 28.117 8.172 1.473 1.00 0.00 H new ATOM 0 HE2 LYS C 86 28.086 7.773 -0.924 1.00 0.00 H new ATOM 0 HE3 LYS C 86 29.220 6.443 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 26.943 5.636 -1.019 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 27.567 5.198 0.499 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 26.468 6.486 0.372 1.00 0.00 H new ATOM 1508 N ALA I 152 42.371 18.283 5.270 1.00 0.00 N ATOM 1509 CA ALA I 152 42.422 19.177 6.420 1.00 0.00 C ATOM 1510 C ALA I 152 41.488 18.689 7.526 1.00 0.00 C ATOM 1511 O ALA I 152 41.852 18.689 8.702 1.00 0.00 O ATOM 1512 CB ALA I 152 42.020 20.591 5.997 1.00 0.00 C ATOM 0 HA ALA I 152 43.442 19.186 6.803 1.00 0.00 H new ATOM 0 HB1 ALA I 152 42.060 21.254 6.861 1.00 0.00 H new ATOM 0 HB2 ALA I 152 42.707 20.951 5.231 1.00 0.00 H new ATOM 0 HB3 ALA I 152 41.006 20.577 5.597 1.00 0.00 H new ATOM 1518 N MET I 153 40.284 18.272 7.140 1.00 0.00 N ATOM 1519 CA MET I 153 39.308 17.782 8.111 1.00 0.00 C ATOM 1520 C MET I 153 39.819 16.530 8.814 1.00 0.00 C ATOM 1521 O MET I 153 39.713 16.402 10.034 1.00 0.00 O ATOM 1522 CB MET I 153 37.994 17.455 7.399 1.00 0.00 C ATOM 1523 CG MET I 153 37.279 18.746 6.999 1.00 0.00 C ATOM 1524 SD MET I 153 36.426 19.429 8.441 1.00 0.00 S ATOM 1525 CE MET I 153 34.894 19.894 7.600 1.00 0.00 C ATOM 0 H MET I 153 39.963 18.263 6.172 1.00 0.00 H new ATOM 0 HA MET I 153 39.147 18.562 8.856 1.00 0.00 H new ATOM 0 HB2 MET I 153 38.191 16.850 6.514 1.00 0.00 H new ATOM 0 HB3 MET I 153 37.354 16.863 8.053 1.00 0.00 H new ATOM 0 HG2 MET I 153 37.998 19.468 6.612 1.00 0.00 H new ATOM 0 HG3 MET I 153 36.565 18.547 6.200 1.00 0.00 H new ATOM 0 HE1 MET I 153 34.208 20.345 8.317 1.00 0.00 H new ATOM 0 HE2 MET I 153 35.116 20.611 6.810 1.00 0.00 H new ATOM 0 HE3 MET I 153 34.433 19.007 7.166 1.00 0.00 H new ATOM 1535 N MET I 154 40.372 15.610 8.035 1.00 0.00 N ATOM 1536 CA MET I 154 40.898 14.368 8.588 1.00 0.00 C ATOM 1537 C MET I 154 42.169 14.638 9.384 1.00 0.00 C ATOM 1538 O MET I 154 42.443 13.969 10.381 1.00 0.00 O ATOM 1539 CB MET I 154 41.183 13.375 7.458 1.00 0.00 C ATOM 1540 CG MET I 154 39.869 13.000 6.759 1.00 0.00 C ATOM 1541 SD MET I 154 38.776 12.098 7.893 1.00 0.00 S ATOM 1542 CE MET I 154 39.553 10.466 7.771 1.00 0.00 C ATOM 0 H MET I 154 40.468 15.699 7.023 1.00 0.00 H new ATOM 0 HA MET I 154 40.154 13.939 9.259 1.00 0.00 H new ATOM 0 HB2 MET I 154 41.876 13.814 6.740 1.00 0.00 H new ATOM 0 HB3 MET I 154 41.662 12.481 7.858 1.00 0.00 H new ATOM 0 HG2 MET I 154 39.370 13.902 6.404 1.00 0.00 H new ATOM 0 HG3 MET I 154 40.079 12.386 5.883 1.00 0.00 H new ATOM 0 HE1 MET I 154 38.843 9.756 7.346 1.00 0.00 H new ATOM 0 HE2 MET I 154 40.432 10.528 7.129 1.00 0.00 H new ATOM 0 HE3 MET I 154 39.852 10.130 8.764 1.00 0.00 H new ATOM 1552 N GLN I 155 42.947 15.614 8.929 1.00 0.00 N ATOM 1553 CA GLN I 155 44.194 15.953 9.601 1.00 0.00 C ATOM 1554 C GLN I 155 43.924 16.348 11.047 1.00 0.00 C ATOM 1555 O GLN I 155 44.582 15.866 11.967 1.00 0.00 O ATOM 1556 CB GLN I 155 44.868 17.114 8.870 1.00 0.00 C ATOM 1557 CG GLN I 155 46.196 17.457 9.549 1.00 0.00 C ATOM 1558 CD GLN I 155 46.937 18.520 8.743 1.00 0.00 C ATOM 1559 OE1 GLN I 155 46.313 19.326 8.051 1.00 0.00 O ATOM 1560 NE2 GLN I 155 48.240 18.571 8.792 1.00 0.00 N ATOM 0 H GLN I 155 42.738 16.179 8.106 1.00 0.00 H new ATOM 0 HA GLN I 155 44.850 15.083 9.590 1.00 0.00 H new ATOM 0 HB2 GLN I 155 45.041 16.847 7.827 1.00 0.00 H new ATOM 0 HB3 GLN I 155 44.213 17.985 8.872 1.00 0.00 H new ATOM 0 HG2 GLN I 155 46.013 17.818 10.561 1.00 0.00 H new ATOM 0 HG3 GLN I 155 46.811 16.561 9.636 1.00 0.00 H new ATOM 0 HE21 GLN I 155 48.755 17.903 9.365 1.00 0.00 H new ATOM 0 HE22 GLN I 155 48.743 19.279 8.257 1.00 0.00 H new ATOM 1569 N ALA I 156 42.930 17.199 11.248 1.00 0.00 N ATOM 1570 CA ALA I 156 42.569 17.617 12.596 1.00 0.00 C ATOM 1571 C ALA I 156 41.934 16.453 13.350 1.00 0.00 C ATOM 1572 O ALA I 156 42.070 16.336 14.568 1.00 0.00 O ATOM 1573 CB ALA I 156 41.609 18.804 12.546 1.00 0.00 C ATOM 0 H ALA I 156 42.364 17.610 10.506 1.00 0.00 H new ATOM 0 HA ALA I 156 43.472 17.926 13.122 1.00 0.00 H new ATOM 0 HB1 ALA I 156 41.349 19.104 13.561 1.00 0.00 H new ATOM 0 HB2 ALA I 156 42.088 19.638 12.032 1.00 0.00 H new ATOM 0 HB3 ALA I 156 40.705 18.518 12.009 1.00 0.00 H new