USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 606 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: A 81 SER OG : rot 39:sc= 1.27 USER MOD Set 1.2: A 86 HIS : no HE2:sc= 0.791 K(o=2.1,f=-2.9!) USER MOD Set 2.1: A 48 GLN : amide:sc= -0.661 K(o=0.49,f=-7.7!) USER MOD Set 2.2: A 51 LYS NZ :NH3+ -157:sc= 1.16 (180deg=0.703) USER MOD Single : A 26 MET CE :methyl -124:sc= -0.235 (180deg=-0.68) USER MOD Single : A 27 LYS NZ :NH3+ -129:sc= 0.867 (180deg=-0.0582) USER MOD Single : A 29 THR OG1 : rot -49:sc= 0.0215 USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= 0.379 (180deg=0.375) USER MOD Single : A 32 THR OG1 : rot -40:sc= 1.28 USER MOD Single : A 34 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.446) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 179:sc= -0.908 USER MOD Single : A 46 SER OG : rot 180:sc= -0.396 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 55 SER OG : rot -50:sc= 1.12 USER MOD Single : A 56 LYS NZ :NH3+ -108:sc= 0.731 (180deg=0.000938) USER MOD Single : A 59 LYS NZ :NH3+ -166:sc= 0.139 (180deg=0.102) USER MOD Single : A 60 SER OG : rot 69:sc= 0.426 USER MOD Single : A 61 HIS : no HD1:sc= -0.211 X(o=-0.21,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0995 K(o=-0.1,f=-3.5!) USER MOD Single : A 72 LYS NZ :NH3+ 173:sc=-0.00083 (180deg=-0.0617) USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0185) USER MOD Single : A 77 GLN : amide:sc= 0.216 X(o=0.22,f=-0.17) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 82 GLN : amide:sc= 0.0482 K(o=0.048,f=-3.4!) USER MOD Single : A 83 HIS : no HE2:sc= -0.759 K(o=-0.76,f=-4!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= 0.32 K(o=0.32,f=-1.1) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 25 -12.060 13.827 5.781 1.00 0.00 N ATOM 38 CA ILE A 25 -10.763 13.152 5.927 1.00 0.00 C ATOM 39 C ILE A 25 -10.141 12.941 4.517 1.00 0.00 C ATOM 40 O ILE A 25 -10.859 12.966 3.502 1.00 0.00 O ATOM 41 CB ILE A 25 -10.980 11.799 6.705 1.00 0.00 C ATOM 42 CG1 ILE A 25 -9.675 11.339 7.411 1.00 0.00 C ATOM 43 CG2 ILE A 25 -11.536 10.689 5.782 1.00 0.00 C ATOM 44 CD1 ILE A 25 -9.839 10.168 8.357 1.00 0.00 C ATOM 0 HA ILE A 25 -10.063 13.756 6.505 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.729 11.987 7.475 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.942 11.072 6.649 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.264 12.182 7.967 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.672 9.772 6.356 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.495 11.004 5.370 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.834 10.507 4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.875 9.921 8.801 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.544 10.433 9.145 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.217 9.306 7.807 1.00 0.00 H new ATOM 56 N MET A 26 -8.818 12.726 4.452 1.00 0.00 N ATOM 57 CA MET A 26 -8.091 12.641 3.168 1.00 0.00 C ATOM 58 C MET A 26 -8.219 11.218 2.583 1.00 0.00 C ATOM 59 O MET A 26 -7.690 10.252 3.149 1.00 0.00 O ATOM 60 CB MET A 26 -6.609 13.044 3.380 1.00 0.00 C ATOM 61 CG MET A 26 -5.730 12.999 2.124 1.00 0.00 C ATOM 62 SD MET A 26 -4.201 13.949 2.311 1.00 0.00 S ATOM 63 CE MET A 26 -4.837 15.628 2.413 1.00 0.00 C ATOM 0 H MET A 26 -8.225 12.607 5.274 1.00 0.00 H new ATOM 0 HA MET A 26 -8.528 13.334 2.449 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.579 14.054 3.788 1.00 0.00 H new ATOM 0 HB3 MET A 26 -6.174 12.384 4.131 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.484 11.962 1.894 1.00 0.00 H new ATOM 0 HG3 MET A 26 -6.294 13.388 1.276 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.372 16.241 1.641 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.917 15.618 2.266 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.608 16.045 3.394 1.00 0.00 H new ATOM 73 N LYS A 27 -8.945 11.109 1.455 1.00 0.00 N ATOM 74 CA LYS A 27 -9.278 9.820 0.828 1.00 0.00 C ATOM 75 C LYS A 27 -8.198 9.442 -0.197 1.00 0.00 C ATOM 76 O LYS A 27 -8.195 9.939 -1.335 1.00 0.00 O ATOM 77 CB LYS A 27 -10.680 9.882 0.164 1.00 0.00 C ATOM 78 CG LYS A 27 -11.813 10.414 1.076 1.00 0.00 C ATOM 79 CD LYS A 27 -12.037 9.566 2.348 1.00 0.00 C ATOM 80 CE LYS A 27 -12.421 8.101 2.045 1.00 0.00 C ATOM 81 NZ LYS A 27 -13.663 8.003 1.240 1.00 0.00 N ATOM 0 H LYS A 27 -9.317 11.915 0.953 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.308 9.049 1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.619 10.515 -0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.948 8.882 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.581 11.438 1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.741 10.448 0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.128 9.579 2.950 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.823 10.024 2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.604 7.616 1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.554 7.561 2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.322 7.341 1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.107 8.941 1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.432 7.659 0.286 1.00 0.00 H new ATOM 95 N VAL A 28 -7.259 8.596 0.241 1.00 0.00 N ATOM 96 CA VAL A 28 -6.120 8.149 -0.573 1.00 0.00 C ATOM 97 C VAL A 28 -6.453 6.801 -1.234 1.00 0.00 C ATOM 98 O VAL A 28 -6.561 5.776 -0.550 1.00 0.00 O ATOM 99 CB VAL A 28 -4.821 8.002 0.297 1.00 0.00 C ATOM 100 CG1 VAL A 28 -3.582 7.716 -0.580 1.00 0.00 C ATOM 101 CG2 VAL A 28 -4.610 9.242 1.187 1.00 0.00 C ATOM 0 H VAL A 28 -7.267 8.198 1.180 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.934 8.902 -1.339 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.956 7.142 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.701 7.620 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.734 6.789 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.436 8.537 -1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.704 9.115 1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.512 10.128 0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.465 9.362 1.853 1.00 0.00 H new ATOM 111 N THR A 29 -6.614 6.817 -2.563 1.00 0.00 N ATOM 112 CA THR A 29 -6.895 5.614 -3.351 1.00 0.00 C ATOM 113 C THR A 29 -5.571 4.887 -3.654 1.00 0.00 C ATOM 114 O THR A 29 -4.547 5.526 -3.848 1.00 0.00 O ATOM 115 CB THR A 29 -7.632 5.981 -4.687 1.00 0.00 C ATOM 116 OG1 THR A 29 -8.750 6.836 -4.395 1.00 0.00 O ATOM 117 CG2 THR A 29 -8.134 4.727 -5.436 1.00 0.00 C ATOM 0 H THR A 29 -6.553 7.668 -3.122 1.00 0.00 H new ATOM 0 HA THR A 29 -7.549 4.958 -2.777 1.00 0.00 H new ATOM 0 HB THR A 29 -6.916 6.491 -5.331 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.275 6.449 -3.664 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.638 5.029 -6.354 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.287 4.086 -5.681 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.832 4.180 -4.802 1.00 0.00 H new ATOM 125 N VAL A 30 -5.592 3.552 -3.586 1.00 0.00 N ATOM 126 CA VAL A 30 -4.445 2.685 -3.934 1.00 0.00 C ATOM 127 C VAL A 30 -4.862 1.752 -5.075 1.00 0.00 C ATOM 128 O VAL A 30 -5.990 1.248 -5.091 1.00 0.00 O ATOM 129 CB VAL A 30 -3.955 1.845 -2.693 1.00 0.00 C ATOM 130 CG1 VAL A 30 -2.835 0.845 -3.058 1.00 0.00 C ATOM 131 CG2 VAL A 30 -3.489 2.781 -1.563 1.00 0.00 C ATOM 0 H VAL A 30 -6.414 3.029 -3.284 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.612 3.314 -4.248 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.807 1.258 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.535 0.293 -2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.201 0.147 -3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.977 1.388 -3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.154 2.187 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.666 3.400 -1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.317 3.420 -1.255 1.00 0.00 H new ATOM 141 N LYS A 31 -3.947 1.543 -6.030 1.00 0.00 N ATOM 142 CA LYS A 31 -4.183 0.690 -7.202 1.00 0.00 C ATOM 143 C LYS A 31 -3.008 -0.298 -7.333 1.00 0.00 C ATOM 144 O LYS A 31 -1.837 0.084 -7.201 1.00 0.00 O ATOM 145 CB LYS A 31 -4.345 1.593 -8.468 1.00 0.00 C ATOM 146 CG LYS A 31 -5.002 0.938 -9.719 1.00 0.00 C ATOM 147 CD LYS A 31 -4.072 -0.031 -10.479 1.00 0.00 C ATOM 148 CE LYS A 31 -4.739 -0.682 -11.700 1.00 0.00 C ATOM 149 NZ LYS A 31 -3.871 -1.721 -12.311 1.00 0.00 N ATOM 0 H LYS A 31 -3.018 1.963 -6.011 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.100 0.111 -7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.938 2.464 -8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.358 1.957 -8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.896 0.398 -9.407 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.326 1.724 -10.401 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.183 0.510 -10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.738 -0.813 -9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.687 -1.129 -11.401 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.967 0.084 -12.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.374 -2.173 -13.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.998 -1.280 -12.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.632 -2.438 -11.597 1.00 0.00 H new ATOM 163 N THR A 32 -3.352 -1.568 -7.591 1.00 0.00 N ATOM 164 CA THR A 32 -2.396 -2.676 -7.751 1.00 0.00 C ATOM 165 C THR A 32 -2.646 -3.369 -9.100 1.00 0.00 C ATOM 166 O THR A 32 -3.723 -3.205 -9.682 1.00 0.00 O ATOM 167 CB THR A 32 -2.558 -3.731 -6.599 1.00 0.00 C ATOM 168 OG1 THR A 32 -3.855 -4.348 -6.650 1.00 0.00 O ATOM 169 CG2 THR A 32 -2.378 -3.098 -5.233 1.00 0.00 C ATOM 0 H THR A 32 -4.323 -1.861 -7.697 1.00 0.00 H new ATOM 0 HA THR A 32 -1.386 -2.268 -7.712 1.00 0.00 H new ATOM 0 HB THR A 32 -1.783 -4.483 -6.749 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.531 -3.671 -6.862 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.497 -3.858 -4.461 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.381 -2.662 -5.162 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.126 -2.318 -5.092 1.00 0.00 H new ATOM 177 N PRO A 33 -1.677 -4.188 -9.618 1.00 0.00 N ATOM 178 CA PRO A 33 -1.913 -5.041 -10.815 1.00 0.00 C ATOM 179 C PRO A 33 -2.931 -6.191 -10.560 1.00 0.00 C ATOM 180 O PRO A 33 -3.154 -7.023 -11.438 1.00 0.00 O ATOM 181 CB PRO A 33 -0.498 -5.586 -11.133 1.00 0.00 C ATOM 182 CG PRO A 33 0.212 -5.567 -9.819 1.00 0.00 C ATOM 183 CD PRO A 33 -0.266 -4.315 -9.132 1.00 0.00 C ATOM 0 HA PRO A 33 -2.363 -4.484 -11.636 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.544 -6.594 -11.545 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.011 -4.964 -11.869 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.024 -6.454 -9.231 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.293 -5.553 -9.955 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.219 -4.406 -8.047 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.336 -3.448 -9.406 1.00 0.00 H new ATOM 191 N LYS A 34 -3.518 -6.241 -9.346 1.00 0.00 N ATOM 192 CA LYS A 34 -4.600 -7.179 -8.996 1.00 0.00 C ATOM 193 C LYS A 34 -5.957 -6.446 -9.055 1.00 0.00 C ATOM 194 O LYS A 34 -6.840 -6.792 -9.846 1.00 0.00 O ATOM 195 CB LYS A 34 -4.383 -7.789 -7.566 1.00 0.00 C ATOM 196 CG LYS A 34 -3.127 -8.694 -7.399 1.00 0.00 C ATOM 197 CD LYS A 34 -1.792 -7.918 -7.259 1.00 0.00 C ATOM 198 CE LYS A 34 -0.573 -8.854 -7.117 1.00 0.00 C ATOM 199 NZ LYS A 34 -0.664 -9.741 -5.927 1.00 0.00 N ATOM 0 H LYS A 34 -3.251 -5.626 -8.577 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.592 -7.998 -9.716 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.316 -6.971 -6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.265 -8.372 -7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.262 -9.323 -6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.057 -9.360 -8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.655 -7.279 -8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.846 -7.263 -6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.484 -9.466 -8.015 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.334 -8.254 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.276 -10.132 -5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.006 -9.194 -5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.326 -10.519 -6.124 1.00 0.00 H new ATOM 213 N GLU A 35 -6.063 -5.376 -8.257 1.00 0.00 N ATOM 214 CA GLU A 35 -7.344 -4.713 -7.918 1.00 0.00 C ATOM 215 C GLU A 35 -7.086 -3.267 -7.429 1.00 0.00 C ATOM 216 O GLU A 35 -6.001 -2.730 -7.640 1.00 0.00 O ATOM 217 CB GLU A 35 -8.050 -5.564 -6.822 1.00 0.00 C ATOM 218 CG GLU A 35 -7.238 -5.703 -5.516 1.00 0.00 C ATOM 219 CD GLU A 35 -7.776 -6.770 -4.552 1.00 0.00 C ATOM 220 OE1 GLU A 35 -8.816 -6.534 -3.902 1.00 0.00 O ATOM 221 OE2 GLU A 35 -7.171 -7.858 -4.455 1.00 0.00 O ATOM 0 H GLU A 35 -5.254 -4.935 -7.819 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.986 -4.646 -8.797 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.015 -5.113 -6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.250 -6.558 -7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.205 -5.944 -5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.225 -4.740 -5.005 1.00 0.00 H new ATOM 228 N LYS A 36 -8.093 -2.641 -6.791 1.00 0.00 N ATOM 229 CA LYS A 36 -7.965 -1.294 -6.185 1.00 0.00 C ATOM 230 C LYS A 36 -8.771 -1.199 -4.871 1.00 0.00 C ATOM 231 O LYS A 36 -9.759 -1.920 -4.690 1.00 0.00 O ATOM 232 CB LYS A 36 -8.449 -0.198 -7.176 1.00 0.00 C ATOM 233 CG LYS A 36 -9.926 -0.360 -7.629 1.00 0.00 C ATOM 234 CD LYS A 36 -10.480 0.884 -8.355 1.00 0.00 C ATOM 235 CE LYS A 36 -10.514 2.128 -7.448 1.00 0.00 C ATOM 236 NZ LYS A 36 -11.139 3.287 -8.122 1.00 0.00 N ATOM 0 H LYS A 36 -9.020 -3.052 -6.679 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.911 -1.131 -5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.329 0.779 -6.708 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.807 -0.210 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.004 -1.223 -8.290 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.546 -0.570 -6.757 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.866 1.093 -9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.487 0.673 -8.715 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.066 1.897 -6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.498 2.387 -7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.142 4.103 -7.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.598 3.524 -8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.117 3.050 -8.385 1.00 0.00 H new ATOM 250 N GLU A 37 -8.349 -0.277 -3.983 1.00 0.00 N ATOM 251 CA GLU A 37 -9.018 -0.001 -2.696 1.00 0.00 C ATOM 252 C GLU A 37 -8.619 1.399 -2.194 1.00 0.00 C ATOM 253 O GLU A 37 -7.450 1.776 -2.277 1.00 0.00 O ATOM 254 CB GLU A 37 -8.652 -1.081 -1.638 1.00 0.00 C ATOM 255 CG GLU A 37 -9.306 -0.893 -0.255 1.00 0.00 C ATOM 256 CD GLU A 37 -10.836 -0.951 -0.293 1.00 0.00 C ATOM 257 OE1 GLU A 37 -11.389 -2.053 -0.402 1.00 0.00 O ATOM 258 OE2 GLU A 37 -11.496 0.104 -0.230 1.00 0.00 O ATOM 0 H GLU A 37 -7.525 0.303 -4.141 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.097 -0.033 -2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.937 -2.059 -2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.569 -1.091 -1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.937 -1.664 0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.996 0.067 0.158 1.00 0.00 H new ATOM 265 N GLU A 38 -9.599 2.143 -1.649 1.00 0.00 N ATOM 266 CA GLU A 38 -9.401 3.508 -1.143 1.00 0.00 C ATOM 267 C GLU A 38 -9.400 3.492 0.390 1.00 0.00 C ATOM 268 O GLU A 38 -10.133 2.724 1.014 1.00 0.00 O ATOM 269 CB GLU A 38 -10.506 4.452 -1.675 1.00 0.00 C ATOM 270 CG GLU A 38 -10.410 5.895 -1.141 1.00 0.00 C ATOM 271 CD GLU A 38 -11.457 6.823 -1.749 1.00 0.00 C ATOM 272 OE1 GLU A 38 -12.582 6.910 -1.219 1.00 0.00 O ATOM 273 OE2 GLU A 38 -11.162 7.463 -2.766 1.00 0.00 O ATOM 0 H GLU A 38 -10.557 1.808 -1.548 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.440 3.881 -1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.457 4.475 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.480 4.041 -1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.526 5.885 -0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.416 6.290 -1.351 1.00 0.00 H new ATOM 280 N PHE A 39 -8.575 4.354 0.985 1.00 0.00 N ATOM 281 CA PHE A 39 -8.402 4.455 2.441 1.00 0.00 C ATOM 282 C PHE A 39 -8.669 5.894 2.887 1.00 0.00 C ATOM 283 O PHE A 39 -8.628 6.826 2.078 1.00 0.00 O ATOM 284 CB PHE A 39 -6.978 3.994 2.837 1.00 0.00 C ATOM 285 CG PHE A 39 -6.684 2.588 2.335 1.00 0.00 C ATOM 286 CD1 PHE A 39 -7.206 1.476 2.992 1.00 0.00 C ATOM 287 CD2 PHE A 39 -5.942 2.387 1.178 1.00 0.00 C ATOM 288 CE1 PHE A 39 -6.992 0.206 2.501 1.00 0.00 C ATOM 289 CE2 PHE A 39 -5.722 1.115 0.696 1.00 0.00 C ATOM 290 CZ PHE A 39 -6.247 0.027 1.357 1.00 0.00 C ATOM 0 H PHE A 39 -7.997 5.014 0.464 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.115 3.803 2.945 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.244 4.688 2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.874 4.023 3.922 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.784 1.610 3.895 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.533 3.236 0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.409 -0.649 3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.137 0.971 -0.201 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.074 -0.969 0.977 1.00 0.00 H new ATOM 300 N ALA A 40 -8.940 6.059 4.178 1.00 0.00 N ATOM 301 CA ALA A 40 -9.322 7.337 4.772 1.00 0.00 C ATOM 302 C ALA A 40 -8.347 7.679 5.895 1.00 0.00 C ATOM 303 O ALA A 40 -8.489 7.205 7.024 1.00 0.00 O ATOM 304 CB ALA A 40 -10.758 7.235 5.284 1.00 0.00 C ATOM 0 H ALA A 40 -8.900 5.295 4.853 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.278 8.136 4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.054 8.185 5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.424 7.001 4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.822 6.447 6.034 1.00 0.00 H new ATOM 310 N VAL A 41 -7.335 8.481 5.569 1.00 0.00 N ATOM 311 CA VAL A 41 -6.257 8.842 6.505 1.00 0.00 C ATOM 312 C VAL A 41 -6.374 10.334 6.849 1.00 0.00 C ATOM 313 O VAL A 41 -6.737 11.126 5.976 1.00 0.00 O ATOM 314 CB VAL A 41 -4.831 8.493 5.925 1.00 0.00 C ATOM 315 CG1 VAL A 41 -4.736 6.988 5.576 1.00 0.00 C ATOM 316 CG2 VAL A 41 -4.450 9.364 4.706 1.00 0.00 C ATOM 0 H VAL A 41 -7.234 8.903 4.646 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.368 8.252 7.415 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.109 8.721 6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.745 6.769 5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.906 6.395 6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.490 6.739 4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.460 9.079 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.179 9.214 3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.442 10.414 4.997 1.00 0.00 H new ATOM 326 N PRO A 42 -6.132 10.753 8.133 1.00 0.00 N ATOM 327 CA PRO A 42 -6.246 12.173 8.551 1.00 0.00 C ATOM 328 C PRO A 42 -4.997 13.001 8.153 1.00 0.00 C ATOM 329 O PRO A 42 -4.387 13.672 8.993 1.00 0.00 O ATOM 330 CB PRO A 42 -6.439 12.041 10.082 1.00 0.00 C ATOM 331 CG PRO A 42 -5.639 10.829 10.457 1.00 0.00 C ATOM 332 CD PRO A 42 -5.758 9.875 9.281 1.00 0.00 C ATOM 0 HA PRO A 42 -7.058 12.717 8.068 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.084 12.929 10.605 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.491 11.918 10.341 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.598 11.090 10.645 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.023 10.374 11.370 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.819 9.354 9.094 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.515 9.112 9.462 1.00 0.00 H new ATOM 340 N GLU A 43 -4.646 12.909 6.842 1.00 0.00 N ATOM 341 CA GLU A 43 -3.497 13.568 6.142 1.00 0.00 C ATOM 342 C GLU A 43 -2.104 13.345 6.783 1.00 0.00 C ATOM 343 O GLU A 43 -1.093 13.796 6.230 1.00 0.00 O ATOM 344 CB GLU A 43 -3.767 15.092 5.902 1.00 0.00 C ATOM 345 CG GLU A 43 -3.619 16.010 7.132 1.00 0.00 C ATOM 346 CD GLU A 43 -3.851 17.488 6.807 1.00 0.00 C ATOM 347 OE1 GLU A 43 -2.893 18.163 6.376 1.00 0.00 O ATOM 348 OE2 GLU A 43 -4.993 17.977 6.965 1.00 0.00 O ATOM 0 H GLU A 43 -5.191 12.335 6.199 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.444 13.054 5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.085 15.443 5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.778 15.204 5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.327 15.697 7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.620 15.888 7.551 1.00 0.00 H new ATOM 355 N ASN A 44 -2.039 12.613 7.905 1.00 0.00 N ATOM 356 CA ASN A 44 -0.809 12.457 8.695 1.00 0.00 C ATOM 357 C ASN A 44 -0.236 11.049 8.511 1.00 0.00 C ATOM 358 O ASN A 44 0.987 10.890 8.468 1.00 0.00 O ATOM 359 CB ASN A 44 -1.104 12.737 10.192 1.00 0.00 C ATOM 360 CG ASN A 44 0.150 12.671 11.072 1.00 0.00 C ATOM 361 OD1 ASN A 44 0.492 11.617 11.616 1.00 0.00 O ATOM 362 ND2 ASN A 44 0.859 13.786 11.197 1.00 0.00 N ATOM 0 H ASN A 44 -2.839 12.112 8.291 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.068 13.176 8.346 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.558 13.723 10.289 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.834 12.013 10.554 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.713 13.788 11.755 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.550 14.641 10.735 1.00 0.00 H new ATOM 369 N SER A 45 -1.136 10.043 8.383 1.00 0.00 N ATOM 370 CA SER A 45 -0.765 8.616 8.343 1.00 0.00 C ATOM 371 C SER A 45 0.291 8.329 7.257 1.00 0.00 C ATOM 372 O SER A 45 0.003 8.375 6.053 1.00 0.00 O ATOM 373 CB SER A 45 -2.018 7.744 8.133 1.00 0.00 C ATOM 374 OG SER A 45 -3.005 8.032 9.113 1.00 0.00 O ATOM 0 H SER A 45 -2.140 10.204 8.305 1.00 0.00 H new ATOM 0 HA SER A 45 -0.317 8.362 9.303 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.426 7.920 7.138 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.745 6.690 8.184 1.00 0.00 H new ATOM 0 HG SER A 45 -3.798 7.480 8.950 1.00 0.00 H new ATOM 380 N SER A 46 1.525 8.096 7.723 1.00 0.00 N ATOM 381 CA SER A 46 2.666 7.744 6.875 1.00 0.00 C ATOM 382 C SER A 46 2.486 6.330 6.315 1.00 0.00 C ATOM 383 O SER A 46 1.591 5.605 6.762 1.00 0.00 O ATOM 384 CB SER A 46 3.959 7.842 7.714 1.00 0.00 C ATOM 385 OG SER A 46 4.026 9.085 8.409 1.00 0.00 O ATOM 0 H SER A 46 1.760 8.148 8.714 1.00 0.00 H new ATOM 0 HA SER A 46 2.732 8.433 6.033 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.996 7.020 8.429 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.827 7.738 7.063 1.00 0.00 H new ATOM 0 HG SER A 46 4.853 9.122 8.934 1.00 0.00 H new ATOM 391 N VAL A 47 3.359 5.931 5.374 1.00 0.00 N ATOM 392 CA VAL A 47 3.277 4.608 4.716 1.00 0.00 C ATOM 393 C VAL A 47 3.337 3.454 5.756 1.00 0.00 C ATOM 394 O VAL A 47 2.725 2.409 5.554 1.00 0.00 O ATOM 395 CB VAL A 47 4.406 4.449 3.635 1.00 0.00 C ATOM 396 CG1 VAL A 47 4.365 3.066 2.936 1.00 0.00 C ATOM 397 CG2 VAL A 47 4.336 5.598 2.596 1.00 0.00 C ATOM 0 H VAL A 47 4.135 6.507 5.048 1.00 0.00 H new ATOM 0 HA VAL A 47 2.313 4.548 4.211 1.00 0.00 H new ATOM 0 HB VAL A 47 5.360 4.509 4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.165 3.007 2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.497 2.279 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.403 2.938 2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.126 5.469 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.367 5.580 2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.466 6.555 3.102 1.00 0.00 H new ATOM 407 N GLN A 48 4.048 3.700 6.878 1.00 0.00 N ATOM 408 CA GLN A 48 4.107 2.801 8.054 1.00 0.00 C ATOM 409 C GLN A 48 2.679 2.450 8.568 1.00 0.00 C ATOM 410 O GLN A 48 2.359 1.282 8.723 1.00 0.00 O ATOM 411 CB GLN A 48 4.964 3.471 9.187 1.00 0.00 C ATOM 412 CG GLN A 48 5.630 2.519 10.219 1.00 0.00 C ATOM 413 CD GLN A 48 4.665 1.710 11.098 1.00 0.00 C ATOM 414 OE1 GLN A 48 4.287 0.588 10.768 1.00 0.00 O ATOM 415 NE2 GLN A 48 4.273 2.262 12.230 1.00 0.00 N ATOM 0 H GLN A 48 4.608 4.545 6.995 1.00 0.00 H new ATOM 0 HA GLN A 48 4.582 1.866 7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.749 4.062 8.715 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.324 4.167 9.730 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.273 1.822 9.681 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.275 3.111 10.869 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.600 3.195 12.483 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.643 1.756 12.853 1.00 0.00 H new ATOM 424 N GLN A 49 1.841 3.465 8.828 1.00 0.00 N ATOM 425 CA GLN A 49 0.453 3.250 9.320 1.00 0.00 C ATOM 426 C GLN A 49 -0.524 2.944 8.158 1.00 0.00 C ATOM 427 O GLN A 49 -1.585 2.336 8.354 1.00 0.00 O ATOM 428 CB GLN A 49 -0.014 4.493 10.130 1.00 0.00 C ATOM 429 CG GLN A 49 -1.457 4.418 10.684 1.00 0.00 C ATOM 430 CD GLN A 49 -1.732 3.213 11.602 1.00 0.00 C ATOM 431 OE1 GLN A 49 -0.857 2.749 12.332 1.00 0.00 O ATOM 432 NE2 GLN A 49 -2.945 2.683 11.549 1.00 0.00 N ATOM 0 H GLN A 49 2.091 4.447 8.709 1.00 0.00 H new ATOM 0 HA GLN A 49 0.451 2.378 9.974 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.671 4.640 10.965 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.067 5.373 9.492 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.668 5.334 11.236 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.152 4.385 9.845 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.652 3.088 10.935 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.172 1.870 12.122 1.00 0.00 H new ATOM 441 N PHE A 50 -0.137 3.336 6.948 1.00 0.00 N ATOM 442 CA PHE A 50 -1.010 3.278 5.769 1.00 0.00 C ATOM 443 C PHE A 50 -1.100 1.848 5.203 1.00 0.00 C ATOM 444 O PHE A 50 -2.194 1.368 4.884 1.00 0.00 O ATOM 445 CB PHE A 50 -0.495 4.274 4.707 1.00 0.00 C ATOM 446 CG PHE A 50 -1.384 4.418 3.481 1.00 0.00 C ATOM 447 CD1 PHE A 50 -2.689 4.893 3.600 1.00 0.00 C ATOM 448 CD2 PHE A 50 -0.920 4.092 2.214 1.00 0.00 C ATOM 449 CE1 PHE A 50 -3.493 5.039 2.495 1.00 0.00 C ATOM 450 CE2 PHE A 50 -1.725 4.239 1.107 1.00 0.00 C ATOM 451 CZ PHE A 50 -3.012 4.710 1.252 1.00 0.00 C ATOM 0 H PHE A 50 0.793 3.705 6.752 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.021 3.561 6.062 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.381 5.253 5.173 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.497 3.958 4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.074 5.150 4.576 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.086 3.718 2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.501 5.412 2.604 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.349 3.986 0.127 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.645 4.821 0.384 1.00 0.00 H new ATOM 461 N LYS A 51 0.063 1.168 5.098 1.00 0.00 N ATOM 462 CA LYS A 51 0.140 -0.202 4.541 1.00 0.00 C ATOM 463 C LYS A 51 -0.466 -1.239 5.522 1.00 0.00 C ATOM 464 O LYS A 51 -0.752 -2.375 5.142 1.00 0.00 O ATOM 465 CB LYS A 51 1.591 -0.551 4.045 1.00 0.00 C ATOM 466 CG LYS A 51 2.536 -1.345 4.989 1.00 0.00 C ATOM 467 CD LYS A 51 2.792 -0.687 6.361 1.00 0.00 C ATOM 468 CE LYS A 51 4.026 -1.258 7.085 1.00 0.00 C ATOM 469 NZ LYS A 51 4.049 -0.897 8.519 1.00 0.00 N ATOM 0 H LYS A 51 0.963 1.546 5.392 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.480 -0.247 3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.495 -1.120 3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.088 0.386 3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.113 -2.336 5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.493 -1.485 4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.923 0.386 6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.913 -0.822 6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.034 -2.343 6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.931 -0.887 6.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.026 -0.945 8.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.684 0.069 8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.454 -1.561 9.054 1.00 0.00 H new ATOM 483 N GLU A 52 -0.638 -0.815 6.791 1.00 0.00 N ATOM 484 CA GLU A 52 -1.415 -1.550 7.808 1.00 0.00 C ATOM 485 C GLU A 52 -2.872 -1.720 7.338 1.00 0.00 C ATOM 486 O GLU A 52 -3.440 -2.813 7.402 1.00 0.00 O ATOM 487 CB GLU A 52 -1.402 -0.777 9.151 1.00 0.00 C ATOM 488 CG GLU A 52 -0.007 -0.502 9.729 1.00 0.00 C ATOM 489 CD GLU A 52 0.672 -1.743 10.307 1.00 0.00 C ATOM 490 OE1 GLU A 52 0.189 -2.261 11.329 1.00 0.00 O ATOM 491 OE2 GLU A 52 1.690 -2.205 9.755 1.00 0.00 O ATOM 0 H GLU A 52 -0.237 0.055 7.141 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.960 -2.531 7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.914 0.175 9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.977 -1.343 9.884 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.625 -0.084 8.946 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.089 0.254 10.510 1.00 0.00 H new ATOM 498 N GLU A 53 -3.452 -0.610 6.858 1.00 0.00 N ATOM 499 CA GLU A 53 -4.844 -0.569 6.375 1.00 0.00 C ATOM 500 C GLU A 53 -4.976 -1.330 5.048 1.00 0.00 C ATOM 501 O GLU A 53 -6.011 -1.946 4.765 1.00 0.00 O ATOM 502 CB GLU A 53 -5.315 0.905 6.225 1.00 0.00 C ATOM 503 CG GLU A 53 -5.045 1.795 7.463 1.00 0.00 C ATOM 504 CD GLU A 53 -5.473 1.140 8.793 1.00 0.00 C ATOM 505 OE1 GLU A 53 -6.692 1.010 9.041 1.00 0.00 O ATOM 506 OE2 GLU A 53 -4.596 0.744 9.591 1.00 0.00 O ATOM 0 H GLU A 53 -2.970 0.287 6.793 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.486 -1.060 7.107 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.818 1.346 5.361 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.385 0.912 6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.981 2.030 7.508 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.575 2.740 7.345 1.00 0.00 H new ATOM 513 N ILE A 54 -3.901 -1.271 4.248 1.00 0.00 N ATOM 514 CA ILE A 54 -3.791 -1.999 2.979 1.00 0.00 C ATOM 515 C ILE A 54 -3.837 -3.532 3.202 1.00 0.00 C ATOM 516 O ILE A 54 -4.549 -4.242 2.489 1.00 0.00 O ATOM 517 CB ILE A 54 -2.463 -1.599 2.225 1.00 0.00 C ATOM 518 CG1 ILE A 54 -2.482 -0.093 1.793 1.00 0.00 C ATOM 519 CG2 ILE A 54 -2.191 -2.508 1.012 1.00 0.00 C ATOM 520 CD1 ILE A 54 -1.239 0.377 1.041 1.00 0.00 C ATOM 0 H ILE A 54 -3.077 -0.711 4.467 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.646 -1.721 2.362 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.646 -1.741 2.932 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.356 0.078 1.164 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.605 0.524 2.683 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.268 -2.196 0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.094 -3.541 1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.018 -2.431 0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.346 1.431 0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.360 0.244 1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.123 -0.208 0.129 1.00 0.00 H new ATOM 532 N SER A 55 -3.090 -4.013 4.216 1.00 0.00 N ATOM 533 CA SER A 55 -2.825 -5.455 4.418 1.00 0.00 C ATOM 534 C SER A 55 -4.112 -6.278 4.656 1.00 0.00 C ATOM 535 O SER A 55 -4.264 -7.381 4.116 1.00 0.00 O ATOM 536 CB SER A 55 -1.814 -5.654 5.571 1.00 0.00 C ATOM 537 OG SER A 55 -2.295 -5.145 6.790 1.00 0.00 O ATOM 0 H SER A 55 -2.653 -3.415 4.918 1.00 0.00 H new ATOM 0 HA SER A 55 -2.391 -5.835 3.493 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.597 -6.716 5.683 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.875 -5.161 5.318 1.00 0.00 H new ATOM 0 HG SER A 55 -2.612 -4.227 6.659 1.00 0.00 H new ATOM 543 N LYS A 56 -5.039 -5.714 5.445 1.00 0.00 N ATOM 544 CA LYS A 56 -6.318 -6.372 5.802 1.00 0.00 C ATOM 545 C LYS A 56 -7.335 -6.341 4.634 1.00 0.00 C ATOM 546 O LYS A 56 -8.254 -7.162 4.589 1.00 0.00 O ATOM 547 CB LYS A 56 -6.913 -5.687 7.061 1.00 0.00 C ATOM 548 CG LYS A 56 -7.250 -4.189 6.872 1.00 0.00 C ATOM 549 CD LYS A 56 -7.750 -3.510 8.165 1.00 0.00 C ATOM 550 CE LYS A 56 -8.065 -2.018 7.956 1.00 0.00 C ATOM 551 NZ LYS A 56 -8.457 -1.341 9.217 1.00 0.00 N ATOM 0 H LYS A 56 -4.929 -4.788 5.857 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.113 -7.421 6.015 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.819 -6.217 7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.205 -5.787 7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.363 -3.666 6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.012 -4.089 6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.645 -4.022 8.519 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.994 -3.614 8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.191 -1.520 7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.870 -1.918 7.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.476 -1.134 9.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.245 -1.961 10.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.925 -0.453 9.314 1.00 0.00 H new ATOM 565 N ARG A 57 -7.172 -5.373 3.710 1.00 0.00 N ATOM 566 CA ARG A 57 -8.063 -5.220 2.537 1.00 0.00 C ATOM 567 C ARG A 57 -7.625 -6.135 1.384 1.00 0.00 C ATOM 568 O ARG A 57 -8.394 -6.979 0.914 1.00 0.00 O ATOM 569 CB ARG A 57 -8.111 -3.724 2.097 1.00 0.00 C ATOM 570 CG ARG A 57 -9.094 -2.861 2.919 1.00 0.00 C ATOM 571 CD ARG A 57 -10.554 -3.306 2.714 1.00 0.00 C ATOM 572 NE ARG A 57 -11.520 -2.461 3.447 1.00 0.00 N ATOM 573 CZ ARG A 57 -12.764 -2.165 3.017 1.00 0.00 C ATOM 574 NH1 ARG A 57 -13.141 -2.449 1.779 1.00 0.00 N ATOM 575 NH2 ARG A 57 -13.606 -1.528 3.812 1.00 0.00 N ATOM 0 H ARG A 57 -6.426 -4.679 3.753 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.070 -5.526 2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.111 -3.298 2.181 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.391 -3.674 1.045 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.839 -2.927 3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.989 -1.815 2.630 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.791 -3.281 1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.663 -4.340 3.040 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.225 -2.073 4.343 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.487 -2.897 1.137 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.085 -2.219 1.468 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.316 -1.259 4.752 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.546 -1.305 3.485 1.00 0.00 H new ATOM 589 N PHE A 58 -6.373 -5.973 0.953 1.00 0.00 N ATOM 590 CA PHE A 58 -5.783 -6.771 -0.139 1.00 0.00 C ATOM 591 C PHE A 58 -5.422 -8.194 0.333 1.00 0.00 C ATOM 592 O PHE A 58 -4.962 -8.999 -0.476 1.00 0.00 O ATOM 593 CB PHE A 58 -4.537 -6.044 -0.706 1.00 0.00 C ATOM 594 CG PHE A 58 -4.863 -4.727 -1.426 1.00 0.00 C ATOM 595 CD1 PHE A 58 -4.970 -3.526 -0.727 1.00 0.00 C ATOM 596 CD2 PHE A 58 -5.054 -4.691 -2.805 1.00 0.00 C ATOM 597 CE1 PHE A 58 -5.255 -2.339 -1.380 1.00 0.00 C ATOM 598 CE2 PHE A 58 -5.344 -3.505 -3.456 1.00 0.00 C ATOM 599 CZ PHE A 58 -5.437 -2.329 -2.746 1.00 0.00 C ATOM 0 H PHE A 58 -5.733 -5.285 1.348 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.525 -6.872 -0.931 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.844 -5.839 0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.024 -6.710 -1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.828 -3.521 0.344 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.974 -5.604 -3.376 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.335 -1.420 -0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.498 -3.502 -4.525 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.652 -1.402 -3.258 1.00 0.00 H new ATOM 609 N LYS A 59 -5.602 -8.479 1.656 1.00 0.00 N ATOM 610 CA LYS A 59 -5.362 -9.817 2.271 1.00 0.00 C ATOM 611 C LYS A 59 -3.905 -10.272 2.071 1.00 0.00 C ATOM 612 O LYS A 59 -3.579 -11.468 2.085 1.00 0.00 O ATOM 613 CB LYS A 59 -6.382 -10.858 1.738 1.00 0.00 C ATOM 614 CG LYS A 59 -7.850 -10.485 2.026 1.00 0.00 C ATOM 615 CD LYS A 59 -8.153 -10.373 3.537 1.00 0.00 C ATOM 616 CE LYS A 59 -9.611 -9.990 3.816 1.00 0.00 C ATOM 617 NZ LYS A 59 -9.840 -9.705 5.255 1.00 0.00 N ATOM 0 H LYS A 59 -5.920 -7.781 2.329 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.518 -9.732 3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.248 -10.968 0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.167 -11.828 2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.081 -9.536 1.542 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.505 -11.236 1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.932 -11.325 4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.493 -9.628 3.982 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.876 -9.113 3.225 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.267 -10.800 3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.862 -9.684 5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.395 -10.448 5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.423 -8.783 5.497 1.00 0.00 H new ATOM 631 N SER A 60 -3.042 -9.269 1.947 1.00 0.00 N ATOM 632 CA SER A 60 -1.623 -9.422 1.694 1.00 0.00 C ATOM 633 C SER A 60 -0.900 -8.559 2.719 1.00 0.00 C ATOM 634 O SER A 60 -0.980 -7.333 2.666 1.00 0.00 O ATOM 635 CB SER A 60 -1.310 -8.969 0.264 1.00 0.00 C ATOM 636 OG SER A 60 -2.034 -9.728 -0.693 1.00 0.00 O ATOM 0 H SER A 60 -3.327 -8.293 2.024 1.00 0.00 H new ATOM 0 HA SER A 60 -1.302 -10.460 1.786 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.556 -7.913 0.154 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.241 -9.069 0.076 1.00 0.00 H new ATOM 0 HG SER A 60 -2.986 -9.505 -0.635 1.00 0.00 H new ATOM 642 N HIS A 61 -0.213 -9.222 3.648 1.00 0.00 N ATOM 643 CA HIS A 61 0.316 -8.610 4.876 1.00 0.00 C ATOM 644 C HIS A 61 1.457 -7.623 4.564 1.00 0.00 C ATOM 645 O HIS A 61 2.008 -7.633 3.462 1.00 0.00 O ATOM 646 CB HIS A 61 0.740 -9.716 5.876 1.00 0.00 C ATOM 647 CG HIS A 61 -0.414 -10.545 6.398 1.00 0.00 C ATOM 648 ND1 HIS A 61 -0.637 -10.782 7.739 1.00 0.00 N ATOM 649 CD2 HIS A 61 -1.412 -11.190 5.743 1.00 0.00 C ATOM 650 CE1 HIS A 61 -1.712 -11.534 7.877 1.00 0.00 C ATOM 651 NE2 HIS A 61 -2.201 -11.794 6.684 1.00 0.00 N ATOM 0 H HIS A 61 -0.002 -10.217 3.571 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.471 -8.022 5.348 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.458 -10.376 5.390 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.253 -9.253 6.719 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.557 -11.221 4.673 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -2.123 -11.879 8.814 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -3.032 -12.354 6.492 1.00 0.00 H new ATOM 660 N THR A 62 1.795 -6.784 5.556 1.00 0.00 N ATOM 661 CA THR A 62 2.653 -5.587 5.383 1.00 0.00 C ATOM 662 C THR A 62 4.074 -5.904 4.859 1.00 0.00 C ATOM 663 O THR A 62 4.732 -5.033 4.269 1.00 0.00 O ATOM 664 CB THR A 62 2.724 -4.796 6.723 1.00 0.00 C ATOM 665 OG1 THR A 62 3.230 -5.638 7.767 1.00 0.00 O ATOM 666 CG2 THR A 62 1.341 -4.250 7.139 1.00 0.00 C ATOM 0 H THR A 62 1.479 -6.914 6.517 1.00 0.00 H new ATOM 0 HA THR A 62 2.186 -4.976 4.610 1.00 0.00 H new ATOM 0 HB THR A 62 3.394 -3.951 6.566 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.272 -5.131 8.605 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.433 -3.705 8.078 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.967 -3.580 6.365 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.646 -5.080 7.268 1.00 0.00 H new ATOM 674 N ASP A 63 4.517 -7.151 5.065 1.00 0.00 N ATOM 675 CA ASP A 63 5.801 -7.657 4.552 1.00 0.00 C ATOM 676 C ASP A 63 5.807 -7.689 3.005 1.00 0.00 C ATOM 677 O ASP A 63 6.815 -7.358 2.377 1.00 0.00 O ATOM 678 CB ASP A 63 6.064 -9.074 5.129 1.00 0.00 C ATOM 679 CG ASP A 63 7.385 -9.699 4.648 1.00 0.00 C ATOM 680 OD1 ASP A 63 8.454 -9.363 5.204 1.00 0.00 O ATOM 681 OD2 ASP A 63 7.364 -10.518 3.702 1.00 0.00 O ATOM 0 H ASP A 63 3.991 -7.845 5.597 1.00 0.00 H new ATOM 0 HA ASP A 63 6.598 -6.985 4.871 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.073 -9.018 6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.239 -9.730 4.851 1.00 0.00 H new ATOM 686 N GLN A 64 4.653 -8.057 2.419 1.00 0.00 N ATOM 687 CA GLN A 64 4.475 -8.228 0.956 1.00 0.00 C ATOM 688 C GLN A 64 4.302 -6.879 0.220 1.00 0.00 C ATOM 689 O GLN A 64 4.429 -6.816 -1.004 1.00 0.00 O ATOM 690 CB GLN A 64 3.228 -9.124 0.680 1.00 0.00 C ATOM 691 CG GLN A 64 3.227 -10.494 1.401 1.00 0.00 C ATOM 692 CD GLN A 64 4.256 -11.510 0.875 1.00 0.00 C ATOM 693 OE1 GLN A 64 5.319 -11.157 0.371 1.00 0.00 O ATOM 694 NE2 GLN A 64 3.954 -12.791 1.007 1.00 0.00 N ATOM 0 H GLN A 64 3.804 -8.248 2.951 1.00 0.00 H new ATOM 0 HA GLN A 64 5.380 -8.701 0.575 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.334 -8.575 0.976 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.155 -9.297 -0.394 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.413 -10.329 2.462 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.232 -10.931 1.316 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.066 -13.065 1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.609 -13.505 0.688 1.00 0.00 H new ATOM 703 N LEU A 65 4.005 -5.816 0.977 1.00 0.00 N ATOM 704 CA LEU A 65 3.559 -4.521 0.424 1.00 0.00 C ATOM 705 C LEU A 65 4.717 -3.521 0.277 1.00 0.00 C ATOM 706 O LEU A 65 5.391 -3.194 1.260 1.00 0.00 O ATOM 707 CB LEU A 65 2.478 -3.927 1.363 1.00 0.00 C ATOM 708 CG LEU A 65 1.274 -4.864 1.670 1.00 0.00 C ATOM 709 CD1 LEU A 65 0.359 -4.255 2.746 1.00 0.00 C ATOM 710 CD2 LEU A 65 0.484 -5.214 0.385 1.00 0.00 C ATOM 0 H LEU A 65 4.066 -5.825 1.995 1.00 0.00 H new ATOM 0 HA LEU A 65 3.155 -4.698 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.951 -3.651 2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.097 -3.009 0.916 1.00 0.00 H new ATOM 0 HG LEU A 65 1.675 -5.797 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.474 -4.931 2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.927 -4.105 3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.026 -3.297 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.349 -5.870 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.102 -4.299 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.143 -5.720 -0.321 1.00 0.00 H new ATOM 722 N VAL A 66 4.940 -3.045 -0.961 1.00 0.00 N ATOM 723 CA VAL A 66 5.791 -1.871 -1.242 1.00 0.00 C ATOM 724 C VAL A 66 5.005 -0.901 -2.148 1.00 0.00 C ATOM 725 O VAL A 66 4.525 -1.288 -3.225 1.00 0.00 O ATOM 726 CB VAL A 66 7.194 -2.248 -1.896 1.00 0.00 C ATOM 727 CG1 VAL A 66 8.103 -3.011 -0.894 1.00 0.00 C ATOM 728 CG2 VAL A 66 7.033 -3.055 -3.213 1.00 0.00 C ATOM 0 H VAL A 66 4.535 -3.464 -1.798 1.00 0.00 H new ATOM 0 HA VAL A 66 6.033 -1.397 -0.291 1.00 0.00 H new ATOM 0 HB VAL A 66 7.680 -1.306 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.051 -3.252 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.287 -2.385 -0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.609 -3.932 -0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.017 -3.288 -3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.496 -3.982 -3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.472 -2.463 -3.936 1.00 0.00 H new ATOM 738 N LEU A 67 4.828 0.348 -1.689 1.00 0.00 N ATOM 739 CA LEU A 67 4.205 1.402 -2.501 1.00 0.00 C ATOM 740 C LEU A 67 5.263 1.977 -3.445 1.00 0.00 C ATOM 741 O LEU A 67 6.459 1.816 -3.209 1.00 0.00 O ATOM 742 CB LEU A 67 3.619 2.526 -1.606 1.00 0.00 C ATOM 743 CG LEU A 67 2.413 2.153 -0.686 1.00 0.00 C ATOM 744 CD1 LEU A 67 1.989 3.359 0.182 1.00 0.00 C ATOM 745 CD2 LEU A 67 1.213 1.641 -1.510 1.00 0.00 C ATOM 0 H LEU A 67 5.109 0.652 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 67 3.381 0.975 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.421 2.906 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.308 3.346 -2.254 1.00 0.00 H new ATOM 0 HG LEU A 67 2.741 1.348 -0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.148 3.075 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.825 3.668 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.694 4.186 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.391 1.390 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.891 2.417 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.508 0.753 -2.070 1.00 0.00 H new ATOM 757 N ILE A 68 4.811 2.582 -4.546 1.00 0.00 N ATOM 758 CA ILE A 68 5.674 3.215 -5.552 1.00 0.00 C ATOM 759 C ILE A 68 5.089 4.595 -5.896 1.00 0.00 C ATOM 760 O ILE A 68 3.875 4.728 -6.123 1.00 0.00 O ATOM 761 CB ILE A 68 5.844 2.350 -6.880 1.00 0.00 C ATOM 762 CG1 ILE A 68 6.724 1.062 -6.650 1.00 0.00 C ATOM 763 CG2 ILE A 68 6.422 3.199 -8.051 1.00 0.00 C ATOM 764 CD1 ILE A 68 5.995 -0.142 -6.062 1.00 0.00 C ATOM 0 H ILE A 68 3.818 2.648 -4.769 1.00 0.00 H new ATOM 0 HA ILE A 68 6.671 3.303 -5.121 1.00 0.00 H new ATOM 0 HB ILE A 68 4.843 2.020 -7.157 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.161 0.768 -7.604 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.550 1.322 -5.988 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.523 2.574 -8.938 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.748 4.028 -8.266 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.400 3.590 -7.769 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.694 -0.970 -5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.582 0.123 -5.089 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.187 -0.440 -6.730 1.00 0.00 H new ATOM 776 N PHE A 69 5.971 5.601 -5.911 1.00 0.00 N ATOM 777 CA PHE A 69 5.672 6.961 -6.380 1.00 0.00 C ATOM 778 C PHE A 69 6.999 7.735 -6.501 1.00 0.00 C ATOM 779 O PHE A 69 7.959 7.420 -5.787 1.00 0.00 O ATOM 780 CB PHE A 69 4.690 7.692 -5.417 1.00 0.00 C ATOM 781 CG PHE A 69 3.935 8.856 -6.063 1.00 0.00 C ATOM 782 CD1 PHE A 69 4.466 10.146 -6.079 1.00 0.00 C ATOM 783 CD2 PHE A 69 2.693 8.650 -6.672 1.00 0.00 C ATOM 784 CE1 PHE A 69 3.781 11.187 -6.670 1.00 0.00 C ATOM 785 CE2 PHE A 69 2.008 9.694 -7.260 1.00 0.00 C ATOM 786 CZ PHE A 69 2.554 10.961 -7.264 1.00 0.00 C ATOM 0 H PHE A 69 6.933 5.491 -5.591 1.00 0.00 H new ATOM 0 HA PHE A 69 5.181 6.909 -7.352 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.967 6.971 -5.036 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.249 8.066 -4.560 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.427 10.332 -5.622 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.263 7.659 -6.682 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.204 12.181 -6.669 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.045 9.519 -7.717 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.022 11.776 -7.732 1.00 0.00 H new ATOM 796 N ALA A 70 7.039 8.730 -7.412 1.00 0.00 N ATOM 797 CA ALA A 70 8.229 9.586 -7.671 1.00 0.00 C ATOM 798 C ALA A 70 9.391 8.796 -8.325 1.00 0.00 C ATOM 799 O ALA A 70 10.528 9.282 -8.386 1.00 0.00 O ATOM 800 CB ALA A 70 8.692 10.311 -6.383 1.00 0.00 C ATOM 0 H ALA A 70 6.239 8.969 -7.998 1.00 0.00 H new ATOM 0 HA ALA A 70 7.922 10.346 -8.390 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.563 10.928 -6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.885 10.943 -6.011 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.954 9.573 -5.625 1.00 0.00 H new ATOM 806 N GLY A 71 9.083 7.587 -8.836 1.00 0.00 N ATOM 807 CA GLY A 71 10.091 6.696 -9.425 1.00 0.00 C ATOM 808 C GLY A 71 10.821 5.842 -8.389 1.00 0.00 C ATOM 809 O GLY A 71 11.748 5.107 -8.740 1.00 0.00 O ATOM 0 H GLY A 71 8.136 7.207 -8.850 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.608 6.041 -10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.820 7.294 -9.972 1.00 0.00 H new ATOM 813 N LYS A 72 10.393 5.925 -7.113 1.00 0.00 N ATOM 814 CA LYS A 72 11.014 5.190 -5.987 1.00 0.00 C ATOM 815 C LYS A 72 9.928 4.447 -5.190 1.00 0.00 C ATOM 816 O LYS A 72 8.733 4.702 -5.367 1.00 0.00 O ATOM 817 CB LYS A 72 11.864 6.167 -5.092 1.00 0.00 C ATOM 818 CG LYS A 72 11.155 7.474 -4.616 1.00 0.00 C ATOM 819 CD LYS A 72 10.266 7.294 -3.351 1.00 0.00 C ATOM 820 CE LYS A 72 11.059 6.956 -2.078 1.00 0.00 C ATOM 821 NZ LYS A 72 12.001 8.033 -1.704 1.00 0.00 N ATOM 0 H LYS A 72 9.603 6.506 -6.831 1.00 0.00 H new ATOM 0 HA LYS A 72 11.706 4.441 -6.373 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.196 5.619 -4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.758 6.448 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.912 8.230 -4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.537 7.856 -5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.700 8.210 -3.183 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.541 6.501 -3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.365 6.781 -1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.612 6.029 -2.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.426 7.817 -0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.750 8.104 -2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.490 8.937 -1.647 1.00 0.00 H new ATOM 835 N ILE A 73 10.362 3.523 -4.328 1.00 0.00 N ATOM 836 CA ILE A 73 9.465 2.746 -3.454 1.00 0.00 C ATOM 837 C ILE A 73 9.236 3.499 -2.124 1.00 0.00 C ATOM 838 O ILE A 73 10.189 3.923 -1.460 1.00 0.00 O ATOM 839 CB ILE A 73 9.964 1.259 -3.194 1.00 0.00 C ATOM 840 CG1 ILE A 73 11.277 1.161 -2.320 1.00 0.00 C ATOM 841 CG2 ILE A 73 10.128 0.502 -4.538 1.00 0.00 C ATOM 842 CD1 ILE A 73 12.561 1.711 -2.929 1.00 0.00 C ATOM 0 H ILE A 73 11.348 3.289 -4.213 1.00 0.00 H new ATOM 0 HA ILE A 73 8.516 2.649 -3.982 1.00 0.00 H new ATOM 0 HB ILE A 73 9.187 0.778 -2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.097 1.684 -1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.442 0.112 -2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.470 -0.514 -4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.170 0.469 -5.057 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.859 1.018 -5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.383 1.580 -2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 73 12.785 1.175 -3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.435 2.772 -3.147 1.00 0.00 H new ATOM 854 N LEU A 74 7.957 3.709 -1.779 1.00 0.00 N ATOM 855 CA LEU A 74 7.552 4.339 -0.517 1.00 0.00 C ATOM 856 C LEU A 74 7.574 3.274 0.591 1.00 0.00 C ATOM 857 O LEU A 74 6.775 2.317 0.559 1.00 0.00 O ATOM 858 CB LEU A 74 6.126 4.961 -0.622 1.00 0.00 C ATOM 859 CG LEU A 74 5.774 5.735 -1.930 1.00 0.00 C ATOM 860 CD1 LEU A 74 4.358 6.351 -1.846 1.00 0.00 C ATOM 861 CD2 LEU A 74 6.829 6.799 -2.268 1.00 0.00 C ATOM 0 H LEU A 74 7.171 3.444 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 74 8.248 5.146 -0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.399 4.158 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.993 5.642 0.218 1.00 0.00 H new ATOM 0 HG LEU A 74 5.778 5.013 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.138 6.885 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.624 5.558 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.312 7.045 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.545 7.314 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.893 7.519 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.798 6.320 -2.406 1.00 0.00 H new ATOM 873 N LYS A 75 8.515 3.421 1.527 1.00 0.00 N ATOM 874 CA LYS A 75 8.666 2.517 2.678 1.00 0.00 C ATOM 875 C LYS A 75 8.148 3.202 3.952 1.00 0.00 C ATOM 876 O LYS A 75 7.591 4.296 3.887 1.00 0.00 O ATOM 877 CB LYS A 75 10.160 2.101 2.830 1.00 0.00 C ATOM 878 CG LYS A 75 10.783 1.425 1.583 1.00 0.00 C ATOM 879 CD LYS A 75 9.991 0.184 1.081 1.00 0.00 C ATOM 880 CE LYS A 75 9.778 -0.894 2.164 1.00 0.00 C ATOM 881 NZ LYS A 75 11.047 -1.320 2.804 1.00 0.00 N ATOM 0 H LYS A 75 9.201 4.176 1.510 1.00 0.00 H new ATOM 0 HA LYS A 75 8.076 1.615 2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.745 2.988 3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.247 1.419 3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.844 2.156 0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.804 1.123 1.817 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.020 0.510 0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.523 -0.259 0.239 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.102 -0.508 2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.292 -1.761 1.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.853 -2.080 3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.704 -1.667 2.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.475 -0.511 3.299 1.00 0.00 H new ATOM 895 N ASP A 76 8.343 2.544 5.111 1.00 0.00 N ATOM 896 CA ASP A 76 7.924 3.073 6.437 1.00 0.00 C ATOM 897 C ASP A 76 8.684 4.363 6.834 1.00 0.00 C ATOM 898 O ASP A 76 8.279 5.056 7.766 1.00 0.00 O ATOM 899 CB ASP A 76 8.088 1.983 7.530 1.00 0.00 C ATOM 900 CG ASP A 76 9.535 1.500 7.714 1.00 0.00 C ATOM 901 OD1 ASP A 76 10.007 0.698 6.882 1.00 0.00 O ATOM 902 OD2 ASP A 76 10.207 1.910 8.685 1.00 0.00 O ATOM 0 H ASP A 76 8.795 1.631 5.162 1.00 0.00 H new ATOM 0 HA ASP A 76 6.871 3.343 6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.723 2.376 8.479 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.460 1.129 7.275 1.00 0.00 H new ATOM 907 N GLN A 77 9.800 4.638 6.136 1.00 0.00 N ATOM 908 CA GLN A 77 10.548 5.914 6.237 1.00 0.00 C ATOM 909 C GLN A 77 9.773 7.083 5.573 1.00 0.00 C ATOM 910 O GLN A 77 9.851 8.227 6.029 1.00 0.00 O ATOM 911 CB GLN A 77 11.944 5.776 5.560 1.00 0.00 C ATOM 912 CG GLN A 77 11.888 5.231 4.113 1.00 0.00 C ATOM 913 CD GLN A 77 13.202 5.309 3.336 1.00 0.00 C ATOM 914 OE1 GLN A 77 14.290 5.265 3.904 1.00 0.00 O ATOM 915 NE2 GLN A 77 13.107 5.409 2.019 1.00 0.00 N ATOM 0 H GLN A 77 10.216 3.978 5.479 1.00 0.00 H new ATOM 0 HA GLN A 77 10.671 6.137 7.297 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.431 6.751 5.552 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.566 5.114 6.163 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.565 4.190 4.146 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.126 5.783 3.563 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.189 5.443 1.575 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.951 5.452 1.449 1.00 0.00 H new ATOM 924 N ASP A 78 9.036 6.767 4.490 1.00 0.00 N ATOM 925 CA ASP A 78 8.308 7.755 3.666 1.00 0.00 C ATOM 926 C ASP A 78 6.880 7.973 4.191 1.00 0.00 C ATOM 927 O ASP A 78 6.345 7.151 4.954 1.00 0.00 O ATOM 928 CB ASP A 78 8.232 7.289 2.179 1.00 0.00 C ATOM 929 CG ASP A 78 9.611 7.157 1.506 1.00 0.00 C ATOM 930 OD1 ASP A 78 10.179 8.190 1.097 1.00 0.00 O ATOM 931 OD2 ASP A 78 10.131 6.029 1.377 1.00 0.00 O ATOM 0 H ASP A 78 8.928 5.809 4.158 1.00 0.00 H new ATOM 0 HA ASP A 78 8.860 8.693 3.727 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.721 6.327 2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.627 7.999 1.614 1.00 0.00 H new ATOM 936 N THR A 79 6.275 9.103 3.781 1.00 0.00 N ATOM 937 CA THR A 79 4.834 9.362 3.949 1.00 0.00 C ATOM 938 C THR A 79 4.219 9.568 2.551 1.00 0.00 C ATOM 939 O THR A 79 4.933 9.915 1.593 1.00 0.00 O ATOM 940 CB THR A 79 4.543 10.615 4.869 1.00 0.00 C ATOM 941 OG1 THR A 79 4.642 11.835 4.133 1.00 0.00 O ATOM 942 CG2 THR A 79 5.512 10.706 6.056 1.00 0.00 C ATOM 0 H THR A 79 6.774 9.865 3.322 1.00 0.00 H new ATOM 0 HA THR A 79 4.383 8.506 4.451 1.00 0.00 H new ATOM 0 HB THR A 79 3.528 10.476 5.241 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.456 12.592 4.727 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.270 11.583 6.657 1.00 0.00 H new ATOM 0 HG22 THR A 79 5.421 9.810 6.669 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.534 10.790 5.686 1.00 0.00 H new ATOM 950 N LEU A 80 2.903 9.344 2.424 1.00 0.00 N ATOM 951 CA LEU A 80 2.175 9.569 1.157 1.00 0.00 C ATOM 952 C LEU A 80 2.098 11.076 0.831 1.00 0.00 C ATOM 953 O LEU A 80 2.339 11.491 -0.311 1.00 0.00 O ATOM 954 CB LEU A 80 0.773 8.876 1.209 1.00 0.00 C ATOM 955 CG LEU A 80 -0.127 9.140 2.485 1.00 0.00 C ATOM 956 CD1 LEU A 80 -1.016 10.402 2.356 1.00 0.00 C ATOM 957 CD2 LEU A 80 -0.971 7.900 2.838 1.00 0.00 C ATOM 0 H LEU A 80 2.314 9.005 3.185 1.00 0.00 H new ATOM 0 HA LEU A 80 2.724 9.108 0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.210 9.190 0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.926 7.800 1.122 1.00 0.00 H new ATOM 0 HG LEU A 80 0.562 9.335 3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.607 10.525 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.385 11.279 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.683 10.291 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.578 8.112 3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.622 7.652 1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.311 7.058 3.047 1.00 0.00 H new ATOM 969 N SER A 81 1.836 11.883 1.875 1.00 0.00 N ATOM 970 CA SER A 81 1.696 13.348 1.768 1.00 0.00 C ATOM 971 C SER A 81 3.035 14.023 1.381 1.00 0.00 C ATOM 972 O SER A 81 3.029 15.085 0.748 1.00 0.00 O ATOM 973 CB SER A 81 1.153 13.915 3.106 1.00 0.00 C ATOM 974 OG SER A 81 0.873 15.302 3.012 1.00 0.00 O ATOM 0 H SER A 81 1.714 11.534 2.826 1.00 0.00 H new ATOM 0 HA SER A 81 0.987 13.571 0.971 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.247 13.379 3.387 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.883 13.744 3.897 1.00 0.00 H new ATOM 0 HG SER A 81 0.484 15.498 2.134 1.00 0.00 H new ATOM 980 N GLN A 82 4.168 13.373 1.745 1.00 0.00 N ATOM 981 CA GLN A 82 5.542 13.797 1.356 1.00 0.00 C ATOM 982 C GLN A 82 5.681 13.841 -0.175 1.00 0.00 C ATOM 983 O GLN A 82 6.324 14.738 -0.731 1.00 0.00 O ATOM 984 CB GLN A 82 6.579 12.798 1.950 1.00 0.00 C ATOM 985 CG GLN A 82 8.054 13.015 1.552 1.00 0.00 C ATOM 986 CD GLN A 82 9.000 11.952 2.131 1.00 0.00 C ATOM 987 OE1 GLN A 82 8.601 10.814 2.379 1.00 0.00 O ATOM 988 NE2 GLN A 82 10.261 12.302 2.323 1.00 0.00 N ATOM 0 H GLN A 82 4.157 12.532 2.322 1.00 0.00 H new ATOM 0 HA GLN A 82 5.727 14.797 1.749 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.510 12.841 3.037 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.290 11.790 1.652 1.00 0.00 H new ATOM 0 HG2 GLN A 82 8.135 13.010 0.465 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.374 14.000 1.891 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.565 13.252 2.109 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.930 11.622 2.685 1.00 0.00 H new ATOM 997 N HIS A 83 5.052 12.855 -0.837 1.00 0.00 N ATOM 998 CA HIS A 83 5.107 12.689 -2.303 1.00 0.00 C ATOM 999 C HIS A 83 3.901 13.344 -2.995 1.00 0.00 C ATOM 1000 O HIS A 83 3.652 13.102 -4.175 1.00 0.00 O ATOM 1001 CB HIS A 83 5.202 11.178 -2.636 1.00 0.00 C ATOM 1002 CG HIS A 83 6.476 10.572 -2.130 1.00 0.00 C ATOM 1003 ND1 HIS A 83 6.658 10.193 -0.820 1.00 0.00 N ATOM 1004 CD2 HIS A 83 7.659 10.355 -2.744 1.00 0.00 C ATOM 1005 CE1 HIS A 83 7.896 9.791 -0.651 1.00 0.00 C ATOM 1006 NE2 HIS A 83 8.527 9.874 -1.803 1.00 0.00 N ATOM 0 H HIS A 83 4.487 12.146 -0.369 1.00 0.00 H new ATOM 0 HA HIS A 83 5.993 13.197 -2.685 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.352 10.656 -2.197 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.138 11.040 -3.715 1.00 0.00 H new ATOM 0 HD1 HIS A 83 5.943 10.220 -0.094 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.879 10.529 -3.787 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.326 9.449 0.279 1.00 0.00 H new ATOM 1015 N GLY A 84 3.161 14.178 -2.239 1.00 0.00 N ATOM 1016 CA GLY A 84 2.054 14.974 -2.780 1.00 0.00 C ATOM 1017 C GLY A 84 0.772 14.182 -2.975 1.00 0.00 C ATOM 1018 O GLY A 84 -0.200 14.697 -3.545 1.00 0.00 O ATOM 0 H GLY A 84 3.317 14.315 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.856 15.809 -2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.357 15.399 -3.737 1.00 0.00 H new ATOM 1022 N ILE A 85 0.759 12.935 -2.482 1.00 0.00 N ATOM 1023 CA ILE A 85 -0.402 12.051 -2.588 1.00 0.00 C ATOM 1024 C ILE A 85 -1.426 12.464 -1.522 1.00 0.00 C ATOM 1025 O ILE A 85 -1.178 12.319 -0.318 1.00 0.00 O ATOM 1026 CB ILE A 85 -0.021 10.548 -2.389 1.00 0.00 C ATOM 1027 CG1 ILE A 85 1.170 10.136 -3.319 1.00 0.00 C ATOM 1028 CG2 ILE A 85 -1.256 9.641 -2.615 1.00 0.00 C ATOM 1029 CD1 ILE A 85 1.759 8.775 -3.000 1.00 0.00 C ATOM 0 H ILE A 85 1.554 12.515 -2.000 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.817 12.150 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 85 0.312 10.414 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.827 10.139 -4.354 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.955 10.888 -3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.973 8.598 -2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.037 9.905 -1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.629 9.780 -3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.578 8.563 -3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.134 8.772 -1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.989 8.011 -3.107 1.00 0.00 H new ATOM 1041 N HIS A 86 -2.539 13.025 -1.982 1.00 0.00 N ATOM 1042 CA HIS A 86 -3.594 13.579 -1.126 1.00 0.00 C ATOM 1043 C HIS A 86 -4.960 13.077 -1.619 1.00 0.00 C ATOM 1044 O HIS A 86 -5.023 12.103 -2.385 1.00 0.00 O ATOM 1045 CB HIS A 86 -3.499 15.132 -1.145 1.00 0.00 C ATOM 1046 CG HIS A 86 -2.199 15.690 -0.596 1.00 0.00 C ATOM 1047 ND1 HIS A 86 -1.410 16.589 -1.283 1.00 0.00 N ATOM 1048 CD2 HIS A 86 -1.560 15.469 0.584 1.00 0.00 C ATOM 1049 CE1 HIS A 86 -0.355 16.899 -0.551 1.00 0.00 C ATOM 1050 NE2 HIS A 86 -0.423 16.232 0.583 1.00 0.00 N ATOM 0 H HIS A 86 -2.742 13.111 -2.978 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.471 13.248 -0.095 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.624 15.478 -2.171 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.328 15.541 -0.567 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -1.610 16.958 -2.213 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.889 14.813 1.376 1.00 0.00 H new ATOM 0 HE1 HIS A 86 0.431 17.584 -0.834 1.00 0.00 H new ATOM 1059 N ASP A 87 -6.045 13.715 -1.150 1.00 0.00 N ATOM 1060 CA ASP A 87 -7.414 13.403 -1.598 1.00 0.00 C ATOM 1061 C ASP A 87 -7.560 13.691 -3.106 1.00 0.00 C ATOM 1062 O ASP A 87 -7.301 14.812 -3.551 1.00 0.00 O ATOM 1063 CB ASP A 87 -8.443 14.231 -0.790 1.00 0.00 C ATOM 1064 CG ASP A 87 -9.903 14.001 -1.234 1.00 0.00 C ATOM 1065 OD1 ASP A 87 -10.490 12.973 -0.852 1.00 0.00 O ATOM 1066 OD2 ASP A 87 -10.471 14.847 -1.969 1.00 0.00 O ATOM 0 H ASP A 87 -6.000 14.458 -0.453 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.606 12.344 -1.426 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.349 13.981 0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.204 15.290 -0.889 1.00 0.00 H new ATOM 1071 N GLY A 88 -7.959 12.664 -3.873 1.00 0.00 N ATOM 1072 CA GLY A 88 -8.093 12.769 -5.332 1.00 0.00 C ATOM 1073 C GLY A 88 -6.910 12.171 -6.083 1.00 0.00 C ATOM 1074 O GLY A 88 -6.954 12.043 -7.311 1.00 0.00 O ATOM 0 H GLY A 88 -8.196 11.744 -3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.007 12.265 -5.645 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.198 13.818 -5.607 1.00 0.00 H new ATOM 1078 N LEU A 89 -5.840 11.809 -5.348 1.00 0.00 N ATOM 1079 CA LEU A 89 -4.661 11.116 -5.915 1.00 0.00 C ATOM 1080 C LEU A 89 -4.735 9.609 -5.611 1.00 0.00 C ATOM 1081 O LEU A 89 -5.503 9.157 -4.743 1.00 0.00 O ATOM 1082 CB LEU A 89 -3.318 11.708 -5.372 1.00 0.00 C ATOM 1083 CG LEU A 89 -2.937 13.164 -5.820 1.00 0.00 C ATOM 1084 CD1 LEU A 89 -2.973 13.316 -7.357 1.00 0.00 C ATOM 1085 CD2 LEU A 89 -3.802 14.234 -5.120 1.00 0.00 C ATOM 0 H LEU A 89 -5.766 11.987 -4.346 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.677 11.270 -6.994 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.358 11.690 -4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.510 11.041 -5.672 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.908 13.333 -5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.704 14.337 -7.628 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.264 12.622 -7.808 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.977 13.097 -7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.502 15.225 -5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.852 14.069 -5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.664 14.165 -4.041 1.00 0.00 H new ATOM 1097 N THR A 90 -3.919 8.845 -6.352 1.00 0.00 N ATOM 1098 CA THR A 90 -3.805 7.385 -6.228 1.00 0.00 C ATOM 1099 C THR A 90 -2.318 6.989 -6.081 1.00 0.00 C ATOM 1100 O THR A 90 -1.437 7.595 -6.716 1.00 0.00 O ATOM 1101 CB THR A 90 -4.444 6.681 -7.479 1.00 0.00 C ATOM 1102 OG1 THR A 90 -5.810 7.113 -7.627 1.00 0.00 O ATOM 1103 CG2 THR A 90 -4.410 5.142 -7.383 1.00 0.00 C ATOM 0 H THR A 90 -3.307 9.234 -7.069 1.00 0.00 H new ATOM 0 HA THR A 90 -4.345 7.058 -5.340 1.00 0.00 H new ATOM 0 HB THR A 90 -3.848 6.967 -8.346 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.209 6.676 -8.408 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.865 4.712 -8.275 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.376 4.805 -7.304 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.965 4.820 -6.502 1.00 0.00 H new ATOM 1111 N VAL A 91 -2.044 5.987 -5.222 1.00 0.00 N ATOM 1112 CA VAL A 91 -0.702 5.414 -5.057 1.00 0.00 C ATOM 1113 C VAL A 91 -0.590 4.159 -5.934 1.00 0.00 C ATOM 1114 O VAL A 91 -1.593 3.474 -6.200 1.00 0.00 O ATOM 1115 CB VAL A 91 -0.374 5.004 -3.561 1.00 0.00 C ATOM 1116 CG1 VAL A 91 1.154 4.885 -3.340 1.00 0.00 C ATOM 1117 CG2 VAL A 91 -1.006 5.967 -2.540 1.00 0.00 C ATOM 0 H VAL A 91 -2.750 5.555 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 91 0.011 6.185 -5.349 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.822 4.024 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.351 4.603 -2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.560 4.125 -4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.628 5.844 -3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.753 5.644 -1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.624 6.974 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.089 5.965 -2.661 1.00 0.00 H new ATOM 1127 N HIS A 92 0.630 3.861 -6.364 1.00 0.00 N ATOM 1128 CA HIS A 92 0.957 2.584 -7.005 1.00 0.00 C ATOM 1129 C HIS A 92 1.367 1.612 -5.893 1.00 0.00 C ATOM 1130 O HIS A 92 2.040 2.021 -4.947 1.00 0.00 O ATOM 1131 CB HIS A 92 2.107 2.774 -8.029 1.00 0.00 C ATOM 1132 CG HIS A 92 1.901 3.954 -8.943 1.00 0.00 C ATOM 1133 ND1 HIS A 92 2.383 5.216 -8.656 1.00 0.00 N ATOM 1134 CD2 HIS A 92 1.235 4.070 -10.114 1.00 0.00 C ATOM 1135 CE1 HIS A 92 2.021 6.048 -9.609 1.00 0.00 C ATOM 1136 NE2 HIS A 92 1.326 5.379 -10.507 1.00 0.00 N ATOM 0 H HIS A 92 1.424 4.495 -6.280 1.00 0.00 H new ATOM 0 HA HIS A 92 0.100 2.192 -7.553 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.047 2.900 -7.491 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.202 1.870 -8.630 1.00 0.00 H new ATOM 0 HD1 HIS A 92 2.933 5.464 -7.834 1.00 0.00 H new ATOM 0 HD2 HIS A 92 0.726 3.277 -10.642 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.254 7.102 -9.649 1.00 0.00 H new ATOM 1145 N LEU A 93 0.924 0.361 -5.968 1.00 0.00 N ATOM 1146 CA LEU A 93 1.317 -0.680 -5.003 1.00 0.00 C ATOM 1147 C LEU A 93 1.622 -1.965 -5.750 1.00 0.00 C ATOM 1148 O LEU A 93 0.857 -2.390 -6.629 1.00 0.00 O ATOM 1149 CB LEU A 93 0.197 -0.921 -3.955 1.00 0.00 C ATOM 1150 CG LEU A 93 0.383 -2.131 -2.966 1.00 0.00 C ATOM 1151 CD1 LEU A 93 1.610 -1.980 -2.053 1.00 0.00 C ATOM 1152 CD2 LEU A 93 -0.886 -2.361 -2.133 1.00 0.00 C ATOM 0 H LEU A 93 0.285 0.034 -6.693 1.00 0.00 H new ATOM 0 HA LEU A 93 2.207 -0.346 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.090 -0.013 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.741 -1.064 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 93 0.562 -3.008 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.683 -2.846 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.511 -1.911 -2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.508 -1.076 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.731 -3.203 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.107 -1.466 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.723 -2.578 -2.797 1.00 0.00 H new ATOM 1164 N VAL A 94 2.750 -2.570 -5.392 1.00 0.00 N ATOM 1165 CA VAL A 94 3.163 -3.872 -5.901 1.00 0.00 C ATOM 1166 C VAL A 94 3.257 -4.826 -4.717 1.00 0.00 C ATOM 1167 O VAL A 94 3.988 -4.573 -3.745 1.00 0.00 O ATOM 1168 CB VAL A 94 4.525 -3.806 -6.688 1.00 0.00 C ATOM 1169 CG1 VAL A 94 4.983 -5.202 -7.166 1.00 0.00 C ATOM 1170 CG2 VAL A 94 4.412 -2.837 -7.885 1.00 0.00 C ATOM 0 H VAL A 94 3.412 -2.163 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 94 2.424 -4.227 -6.620 1.00 0.00 H new ATOM 0 HB VAL A 94 5.282 -3.431 -5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.926 -5.111 -7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.119 -5.855 -6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.227 -5.626 -7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.363 -2.804 -8.417 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.630 -3.183 -8.561 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.164 -1.839 -7.523 1.00 0.00 H new ATOM 1180 N ILE A 95 2.462 -5.893 -4.794 1.00 0.00 N ATOM 1181 CA ILE A 95 2.363 -6.907 -3.760 1.00 0.00 C ATOM 1182 C ILE A 95 3.127 -8.153 -4.207 1.00 0.00 C ATOM 1183 O ILE A 95 3.000 -8.578 -5.362 1.00 0.00 O ATOM 1184 CB ILE A 95 0.870 -7.296 -3.489 1.00 0.00 C ATOM 1185 CG1 ILE A 95 -0.019 -6.031 -3.251 1.00 0.00 C ATOM 1186 CG2 ILE A 95 0.788 -8.256 -2.289 1.00 0.00 C ATOM 1187 CD1 ILE A 95 -1.483 -6.329 -2.957 1.00 0.00 C ATOM 0 H ILE A 95 1.859 -6.075 -5.596 1.00 0.00 H new ATOM 0 HA ILE A 95 2.788 -6.504 -2.841 1.00 0.00 H new ATOM 0 HB ILE A 95 0.483 -7.801 -4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.396 -5.463 -2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.038 -5.392 -4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.253 -8.522 -2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.361 -9.158 -2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.198 -7.769 -1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.022 -5.393 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.921 -6.868 -3.797 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.556 -6.939 -2.057 1.00 0.00 H new ATOM 1199 N LYS A 96 3.895 -8.758 -3.290 1.00 0.00 N ATOM 1200 CA LYS A 96 4.624 -9.995 -3.577 1.00 0.00 C ATOM 1201 C LYS A 96 3.781 -11.214 -3.144 1.00 0.00 C ATOM 1202 O LYS A 96 4.136 -11.974 -2.241 1.00 0.00 O ATOM 1203 CB LYS A 96 6.049 -9.940 -2.937 1.00 0.00 C ATOM 1204 CG LYS A 96 7.005 -11.110 -3.313 1.00 0.00 C ATOM 1205 CD LYS A 96 7.000 -11.469 -4.827 1.00 0.00 C ATOM 1206 CE LYS A 96 7.402 -10.306 -5.760 1.00 0.00 C ATOM 1207 NZ LYS A 96 7.189 -10.639 -7.199 1.00 0.00 N ATOM 0 H LYS A 96 4.026 -8.407 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 96 4.784 -10.105 -4.650 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.521 -9.002 -3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.939 -9.919 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.020 -10.846 -3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.725 -11.994 -2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.682 -12.303 -4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.003 -11.812 -5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.821 -9.420 -5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.451 -10.058 -5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.472 -9.830 -7.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.762 -11.469 -7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.184 -10.850 -7.361 1.00 0.00 H new