USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 675 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 51 ASN : amide:sc= -8.36! K(o=-8.3!,f=-3) USER MOD Set 1.2: A 89 LYS NZ :NH3+ 143:sc= 0.0471 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -2.59 K(o=-2.6,f=-6!) USER MOD Single : A 13 MET CE :methyl 174:sc= -3.94 (180deg=-4.14) USER MOD Single : A 14 SER OG : rot 180:sc= -0.213 USER MOD Single : A 17 MET CE :methyl 143:sc= -5.19! (180deg=-8.2!) USER MOD Single : A 18 GLN : amide:sc= -1.77 K(o=-1.8,f=-0.58) USER MOD Single : A 19 GLN : amide:sc= -5.06! C(o=-5.1!,f=-11!) USER MOD Single : A 24 CYS SG : rot -20:sc= -1.4 USER MOD Single : A 26 THR OG1 : rot 71:sc= 1.18 USER MOD Single : A 27 GLN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD Single : A 29 MET CE :methyl -145:sc= -4.78! (180deg=-8.19!) USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= -0.0677 (180deg=-0.309) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.24 K(o=-3.2,f=-0.62) USER MOD Single : A 36 LYS NZ :NH3+ -178:sc= 0.901 (180deg=0.807) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= -1.84 (180deg=-1.91) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 139:sc= -1.38 (180deg=-4.29!) USER MOD Single : A 49 LYS NZ :NH3+ -136:sc= 0.814 (180deg=-1.98) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 55 HIS : no HD1:sc= -0.67 K(o=-0.67,f=-2.1) USER MOD Single : A 56 CYS SG : rot 33:sc= -4.19 USER MOD Single : A 61 SER OG : rot 16:sc= 0.641 USER MOD Single : A 63 ASN : amide:sc= -1.71 K(o=-1.7,f=-0.25) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.826 K(o=-0.83,f=-0.097) USER MOD Single : A 72 THR OG1 : rot -0:sc= 0.776 USER MOD Single : A 73 LYS NZ :NH3+ -135:sc= 0.359 (180deg=-4.06!) USER MOD Single : A 74 HIS : no HD1:sc= -2! C(o=-2!,f=-5.4!) USER MOD Single : A 77 TYR OH : rot 2:sc= -1.7! USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 6 3.299 7.022 9.686 1.00 0.00 N ATOM 90 CA ALA A 6 4.053 6.270 8.688 1.00 0.00 C ATOM 91 C ALA A 6 4.639 5.009 9.304 1.00 0.00 C ATOM 92 O ALA A 6 5.856 4.827 9.345 1.00 0.00 O ATOM 93 CB ALA A 6 5.154 7.132 8.085 1.00 0.00 C ATOM 0 HA ALA A 6 3.371 5.979 7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.704 6.553 7.343 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.711 8.006 7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.836 7.455 8.872 1.00 0.00 H new ATOM 99 N VAL A 7 3.759 4.142 9.791 1.00 0.00 N ATOM 100 CA VAL A 7 4.185 2.895 10.417 1.00 0.00 C ATOM 101 C VAL A 7 3.157 1.787 10.211 1.00 0.00 C ATOM 102 O VAL A 7 1.985 2.053 9.944 1.00 0.00 O ATOM 103 CB VAL A 7 4.420 3.089 11.929 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.914 1.800 12.570 1.00 0.00 C ATOM 105 CG2 VAL A 7 5.400 4.225 12.174 1.00 0.00 C ATOM 0 H VAL A 7 2.749 4.278 9.765 1.00 0.00 H new ATOM 0 HA VAL A 7 5.120 2.603 9.939 1.00 0.00 H new ATOM 0 HB VAL A 7 3.469 3.351 12.392 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.073 1.961 13.636 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.171 1.015 12.428 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.853 1.499 12.105 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.554 4.348 13.246 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.351 3.994 11.695 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.998 5.148 11.757 1.00 0.00 H new ATOM 115 N ILE A 8 3.609 0.543 10.336 1.00 0.00 N ATOM 116 CA ILE A 8 2.739 -0.613 10.165 1.00 0.00 C ATOM 117 C ILE A 8 1.789 -0.768 11.351 1.00 0.00 C ATOM 118 O ILE A 8 2.047 -0.248 12.437 1.00 0.00 O ATOM 119 CB ILE A 8 3.565 -1.904 10.011 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.594 -1.740 8.893 1.00 0.00 C ATOM 121 CG2 ILE A 8 2.655 -3.090 9.728 1.00 0.00 C ATOM 122 CD1 ILE A 8 3.978 -1.525 7.528 1.00 0.00 C ATOM 0 H ILE A 8 4.577 0.310 10.556 1.00 0.00 H new ATOM 0 HA ILE A 8 2.156 -0.446 9.259 1.00 0.00 H new ATOM 0 HB ILE A 8 4.092 -2.094 10.946 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.241 -0.895 9.127 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.227 -2.627 8.861 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.256 -3.993 9.622 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.954 -3.216 10.553 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.102 -2.912 8.806 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.768 -1.417 6.785 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.354 -2.381 7.272 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.368 -0.622 7.542 1.00 0.00 H new ATOM 134 N LYS A 9 0.695 -1.489 11.133 1.00 0.00 N ATOM 135 CA LYS A 9 -0.294 -1.719 12.182 1.00 0.00 C ATOM 136 C LYS A 9 -0.352 -3.198 12.555 1.00 0.00 C ATOM 137 O LYS A 9 0.166 -3.607 13.595 1.00 0.00 O ATOM 138 CB LYS A 9 -1.675 -1.235 11.724 1.00 0.00 C ATOM 139 CG LYS A 9 -2.809 -1.542 12.697 1.00 0.00 C ATOM 140 CD LYS A 9 -2.889 -0.536 13.840 1.00 0.00 C ATOM 141 CE LYS A 9 -1.642 -0.549 14.708 1.00 0.00 C ATOM 142 NZ LYS A 9 -1.814 0.277 15.936 1.00 0.00 N ATOM 0 H LYS A 9 0.470 -1.925 10.239 1.00 0.00 H new ATOM 0 HA LYS A 9 0.004 -1.153 13.064 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.633 -0.158 11.563 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.905 -1.692 10.762 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.755 -1.548 12.156 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.670 -2.542 13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.034 0.464 13.431 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.760 -0.758 14.456 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.406 -1.575 14.990 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.795 -0.174 14.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.942 0.243 16.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.014 1.261 15.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.606 -0.096 16.497 1.00 0.00 H new ATOM 156 N ASN A 10 -0.982 -3.994 11.699 1.00 0.00 N ATOM 157 CA ASN A 10 -1.106 -5.428 11.936 1.00 0.00 C ATOM 158 C ASN A 10 -0.998 -6.202 10.628 1.00 0.00 C ATOM 159 O ASN A 10 -1.434 -5.727 9.577 1.00 0.00 O ATOM 160 CB ASN A 10 -2.439 -5.738 12.622 1.00 0.00 C ATOM 161 CG ASN A 10 -2.599 -7.213 12.937 1.00 0.00 C ATOM 162 OD1 ASN A 10 -2.565 -8.057 12.043 1.00 0.00 O ATOM 163 ND2 ASN A 10 -2.773 -7.527 14.215 1.00 0.00 N ATOM 0 H ASN A 10 -1.415 -3.671 10.834 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.291 -5.739 12.589 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.512 -5.162 13.545 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.258 -5.416 11.980 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.885 -8.503 14.490 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.794 -6.792 14.922 1.00 0.00 H new ATOM 170 N ALA A 11 -0.411 -7.392 10.693 1.00 0.00 N ATOM 171 CA ALA A 11 -0.246 -8.224 9.508 1.00 0.00 C ATOM 172 C ALA A 11 -0.450 -9.700 9.835 1.00 0.00 C ATOM 173 O ALA A 11 0.139 -10.227 10.778 1.00 0.00 O ATOM 174 CB ALA A 11 1.133 -8.005 8.902 1.00 0.00 C ATOM 0 H ALA A 11 -0.042 -7.801 11.552 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.006 -7.933 8.783 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.245 -8.632 8.017 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.245 -6.958 8.621 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.898 -8.269 9.633 1.00 0.00 H new ATOM 180 N ASP A 12 -1.283 -10.365 9.039 1.00 0.00 N ATOM 181 CA ASP A 12 -1.563 -11.784 9.235 1.00 0.00 C ATOM 182 C ASP A 12 -1.158 -12.581 7.998 1.00 0.00 C ATOM 183 O ASP A 12 -1.929 -13.397 7.491 1.00 0.00 O ATOM 184 CB ASP A 12 -3.048 -11.999 9.535 1.00 0.00 C ATOM 185 CG ASP A 12 -3.501 -11.257 10.777 1.00 0.00 C ATOM 186 OD1 ASP A 12 -3.400 -10.013 10.795 1.00 0.00 O ATOM 187 OD2 ASP A 12 -3.957 -11.921 11.731 1.00 0.00 O ATOM 0 H ASP A 12 -1.776 -9.943 8.252 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.980 -12.136 10.086 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.640 -11.668 8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.240 -13.065 9.662 1.00 0.00 H new ATOM 192 N MET A 13 0.054 -12.332 7.514 1.00 0.00 N ATOM 193 CA MET A 13 0.562 -13.015 6.335 1.00 0.00 C ATOM 194 C MET A 13 1.985 -13.510 6.570 1.00 0.00 C ATOM 195 O MET A 13 2.556 -13.298 7.639 1.00 0.00 O ATOM 196 CB MET A 13 0.510 -12.071 5.132 1.00 0.00 C ATOM 197 CG MET A 13 1.029 -10.676 5.439 1.00 0.00 C ATOM 198 SD MET A 13 0.763 -9.517 4.084 1.00 0.00 S ATOM 199 CE MET A 13 -1.023 -9.572 3.939 1.00 0.00 C ATOM 0 H MET A 13 0.703 -11.660 7.923 1.00 0.00 H new ATOM 0 HA MET A 13 -0.065 -13.883 6.131 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.096 -12.498 4.318 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.519 -11.999 4.780 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.536 -10.299 6.335 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.095 -10.731 5.660 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.352 -8.828 3.214 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.331 -10.563 3.607 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.473 -9.358 4.908 1.00 0.00 H new ATOM 209 N SER A 14 2.552 -14.177 5.570 1.00 0.00 N ATOM 210 CA SER A 14 3.907 -14.707 5.678 1.00 0.00 C ATOM 211 C SER A 14 4.883 -13.627 6.130 1.00 0.00 C ATOM 212 O SER A 14 5.576 -13.792 7.132 1.00 0.00 O ATOM 213 CB SER A 14 4.358 -15.288 4.338 1.00 0.00 C ATOM 214 OG SER A 14 4.361 -14.295 3.325 1.00 0.00 O ATOM 0 H SER A 14 2.095 -14.363 4.677 1.00 0.00 H new ATOM 0 HA SER A 14 3.899 -15.499 6.427 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.357 -15.711 4.440 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.694 -16.103 4.050 1.00 0.00 H new ATOM 0 HG SER A 14 4.655 -14.692 2.479 1.00 0.00 H new ATOM 220 N GLU A 15 4.910 -12.527 5.377 1.00 0.00 N ATOM 221 CA GLU A 15 5.780 -11.374 5.654 1.00 0.00 C ATOM 222 C GLU A 15 6.273 -10.749 4.357 1.00 0.00 C ATOM 223 O GLU A 15 6.375 -9.525 4.242 1.00 0.00 O ATOM 224 CB GLU A 15 6.991 -11.745 6.522 1.00 0.00 C ATOM 225 CG GLU A 15 7.884 -12.814 5.907 1.00 0.00 C ATOM 226 CD GLU A 15 9.067 -13.163 6.789 1.00 0.00 C ATOM 227 OE1 GLU A 15 9.187 -12.576 7.885 1.00 0.00 O ATOM 228 OE2 GLU A 15 9.875 -14.024 6.383 1.00 0.00 O ATOM 0 H GLU A 15 4.325 -12.406 4.550 1.00 0.00 H new ATOM 0 HA GLU A 15 5.173 -10.658 6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.585 -10.849 6.703 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.637 -12.094 7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.295 -13.713 5.723 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.247 -12.467 4.939 1.00 0.00 H new ATOM 235 N ASP A 16 6.570 -11.593 3.379 1.00 0.00 N ATOM 236 CA ASP A 16 7.044 -11.118 2.089 1.00 0.00 C ATOM 237 C ASP A 16 5.951 -10.333 1.378 1.00 0.00 C ATOM 238 O ASP A 16 6.211 -9.630 0.403 1.00 0.00 O ATOM 239 CB ASP A 16 7.497 -12.295 1.221 1.00 0.00 C ATOM 240 CG ASP A 16 8.024 -11.850 -0.129 1.00 0.00 C ATOM 241 OD1 ASP A 16 9.008 -11.082 -0.160 1.00 0.00 O ATOM 242 OD2 ASP A 16 7.451 -12.270 -1.158 1.00 0.00 O ATOM 0 H ASP A 16 6.491 -12.607 3.455 1.00 0.00 H new ATOM 0 HA ASP A 16 7.895 -10.458 2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.274 -12.852 1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.660 -12.978 1.074 1.00 0.00 H new ATOM 247 N MET A 17 4.722 -10.452 1.877 1.00 0.00 N ATOM 248 CA MET A 17 3.598 -9.746 1.287 1.00 0.00 C ATOM 249 C MET A 17 3.417 -8.394 1.935 1.00 0.00 C ATOM 250 O MET A 17 3.253 -7.394 1.244 1.00 0.00 O ATOM 251 CB MET A 17 2.325 -10.581 1.391 1.00 0.00 C ATOM 252 CG MET A 17 2.333 -11.845 0.540 1.00 0.00 C ATOM 253 SD MET A 17 2.511 -11.515 -1.226 1.00 0.00 S ATOM 254 CE MET A 17 4.272 -11.212 -1.355 1.00 0.00 C ATOM 0 H MET A 17 4.485 -11.029 2.684 1.00 0.00 H new ATOM 0 HA MET A 17 3.809 -9.585 0.230 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.172 -10.860 2.433 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.475 -9.965 1.097 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.149 -12.489 0.866 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.407 -12.394 0.708 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.645 -11.628 -2.291 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.459 -10.138 -1.335 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.785 -11.685 -0.518 1.00 0.00 H new ATOM 264 N GLN A 18 3.502 -8.345 3.252 1.00 0.00 N ATOM 265 CA GLN A 18 3.406 -7.071 3.935 1.00 0.00 C ATOM 266 C GLN A 18 4.622 -6.234 3.544 1.00 0.00 C ATOM 267 O GLN A 18 4.620 -5.007 3.660 1.00 0.00 O ATOM 268 CB GLN A 18 3.323 -7.260 5.451 1.00 0.00 C ATOM 269 CG GLN A 18 4.372 -8.203 6.012 1.00 0.00 C ATOM 270 CD GLN A 18 4.158 -8.491 7.483 1.00 0.00 C ATOM 271 OE1 GLN A 18 4.360 -7.624 8.334 1.00 0.00 O ATOM 272 NE2 GLN A 18 3.719 -9.707 7.788 1.00 0.00 N ATOM 0 H GLN A 18 3.634 -9.155 3.858 1.00 0.00 H new ATOM 0 HA GLN A 18 2.492 -6.557 3.637 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.426 -6.289 5.934 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.334 -7.640 5.706 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.351 -9.139 5.454 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.361 -7.769 5.869 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.566 -10.394 7.050 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.535 -9.954 8.760 1.00 0.00 H new ATOM 281 N GLN A 19 5.649 -6.925 3.032 1.00 0.00 N ATOM 282 CA GLN A 19 6.867 -6.279 2.575 1.00 0.00 C ATOM 283 C GLN A 19 6.660 -5.801 1.144 1.00 0.00 C ATOM 284 O GLN A 19 6.874 -4.631 0.825 1.00 0.00 O ATOM 285 CB GLN A 19 8.033 -7.267 2.644 1.00 0.00 C ATOM 286 CG GLN A 19 9.391 -6.616 2.844 1.00 0.00 C ATOM 287 CD GLN A 19 9.745 -5.626 1.752 1.00 0.00 C ATOM 288 OE1 GLN A 19 9.110 -4.582 1.616 1.00 0.00 O ATOM 289 NE2 GLN A 19 10.767 -5.949 0.970 1.00 0.00 N ATOM 0 H GLN A 19 5.651 -7.940 2.927 1.00 0.00 H new ATOM 0 HA GLN A 19 7.100 -5.426 3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.854 -7.966 3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.055 -7.851 1.724 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.404 -6.105 3.807 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.156 -7.391 2.885 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.266 -6.826 1.119 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.054 -5.320 0.220 1.00 0.00 H new ATOM 298 N ASP A 20 6.202 -6.714 0.292 1.00 0.00 N ATOM 299 CA ASP A 20 5.921 -6.389 -1.100 1.00 0.00 C ATOM 300 C ASP A 20 4.730 -5.444 -1.176 1.00 0.00 C ATOM 301 O ASP A 20 4.547 -4.733 -2.161 1.00 0.00 O ATOM 302 CB ASP A 20 5.644 -7.662 -1.904 1.00 0.00 C ATOM 303 CG ASP A 20 5.363 -7.379 -3.367 1.00 0.00 C ATOM 304 OD1 ASP A 20 4.372 -6.677 -3.657 1.00 0.00 O ATOM 305 OD2 ASP A 20 6.135 -7.858 -4.223 1.00 0.00 O ATOM 0 H ASP A 20 6.018 -7.685 0.543 1.00 0.00 H new ATOM 0 HA ASP A 20 6.793 -5.898 -1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.501 -8.331 -1.825 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.792 -8.184 -1.469 1.00 0.00 H new ATOM 310 N ALA A 21 3.937 -5.431 -0.111 1.00 0.00 N ATOM 311 CA ALA A 21 2.776 -4.559 -0.026 1.00 0.00 C ATOM 312 C ALA A 21 3.228 -3.138 0.254 1.00 0.00 C ATOM 313 O ALA A 21 2.859 -2.204 -0.457 1.00 0.00 O ATOM 314 CB ALA A 21 1.822 -5.043 1.058 1.00 0.00 C ATOM 0 H ALA A 21 4.080 -6.019 0.710 1.00 0.00 H new ATOM 0 HA ALA A 21 2.243 -4.581 -0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.960 -4.378 1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.488 -6.054 0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.335 -5.044 2.020 1.00 0.00 H new ATOM 320 N VAL A 22 4.058 -2.990 1.279 1.00 0.00 N ATOM 321 CA VAL A 22 4.592 -1.685 1.636 1.00 0.00 C ATOM 322 C VAL A 22 5.438 -1.140 0.490 1.00 0.00 C ATOM 323 O VAL A 22 5.529 0.071 0.291 1.00 0.00 O ATOM 324 CB VAL A 22 5.446 -1.750 2.919 1.00 0.00 C ATOM 325 CG1 VAL A 22 6.005 -0.377 3.267 1.00 0.00 C ATOM 326 CG2 VAL A 22 4.628 -2.307 4.074 1.00 0.00 C ATOM 0 H VAL A 22 4.374 -3.755 1.875 1.00 0.00 H new ATOM 0 HA VAL A 22 3.748 -1.022 1.824 1.00 0.00 H new ATOM 0 HB VAL A 22 6.286 -2.420 2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.604 -0.447 4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.629 -0.020 2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.183 0.321 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.245 -2.346 4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.767 -1.663 4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.285 -3.311 3.826 1.00 0.00 H new ATOM 336 N ASP A 23 6.041 -2.050 -0.276 1.00 0.00 N ATOM 337 CA ASP A 23 6.859 -1.660 -1.420 1.00 0.00 C ATOM 338 C ASP A 23 5.974 -1.429 -2.621 1.00 0.00 C ATOM 339 O ASP A 23 6.176 -0.485 -3.379 1.00 0.00 O ATOM 340 CB ASP A 23 7.919 -2.722 -1.720 1.00 0.00 C ATOM 341 CG ASP A 23 8.848 -2.963 -0.545 1.00 0.00 C ATOM 342 OD1 ASP A 23 8.672 -2.300 0.499 1.00 0.00 O ATOM 343 OD2 ASP A 23 9.752 -3.814 -0.670 1.00 0.00 O ATOM 0 H ASP A 23 5.978 -3.057 -0.124 1.00 0.00 H new ATOM 0 HA ASP A 23 7.380 -0.733 -1.182 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.427 -3.657 -1.988 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.505 -2.412 -2.585 1.00 0.00 H new ATOM 348 N CYS A 24 4.961 -2.266 -2.769 1.00 0.00 N ATOM 349 CA CYS A 24 4.019 -2.097 -3.857 1.00 0.00 C ATOM 350 C CYS A 24 3.222 -0.820 -3.619 1.00 0.00 C ATOM 351 O CYS A 24 2.605 -0.281 -4.534 1.00 0.00 O ATOM 352 CB CYS A 24 3.083 -3.301 -3.965 1.00 0.00 C ATOM 353 SG CYS A 24 1.862 -3.171 -5.293 1.00 0.00 S ATOM 0 H CYS A 24 4.773 -3.060 -2.156 1.00 0.00 H new ATOM 0 HA CYS A 24 4.565 -2.023 -4.798 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.680 -4.199 -4.122 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.561 -3.428 -3.017 1.00 0.00 H new ATOM 0 HG CYS A 24 1.731 -1.926 -5.642 1.00 0.00 H new ATOM 359 N ALA A 25 3.269 -0.327 -2.378 1.00 0.00 N ATOM 360 CA ALA A 25 2.581 0.899 -2.013 1.00 0.00 C ATOM 361 C ALA A 25 3.486 2.091 -2.277 1.00 0.00 C ATOM 362 O ALA A 25 3.041 3.135 -2.752 1.00 0.00 O ATOM 363 CB ALA A 25 2.157 0.860 -0.551 1.00 0.00 C ATOM 0 H ALA A 25 3.780 -0.765 -1.612 1.00 0.00 H new ATOM 0 HA ALA A 25 1.682 0.996 -2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.643 1.787 -0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.486 0.017 -0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.038 0.748 0.081 1.00 0.00 H new ATOM 369 N THR A 26 4.772 1.912 -1.986 1.00 0.00 N ATOM 370 CA THR A 26 5.757 2.958 -2.215 1.00 0.00 C ATOM 371 C THR A 26 5.963 3.135 -3.711 1.00 0.00 C ATOM 372 O THR A 26 6.021 4.256 -4.219 1.00 0.00 O ATOM 373 CB THR A 26 7.082 2.609 -1.536 1.00 0.00 C ATOM 374 OG1 THR A 26 6.904 2.447 -0.140 1.00 0.00 O ATOM 375 CG2 THR A 26 8.156 3.656 -1.743 1.00 0.00 C ATOM 0 H THR A 26 5.153 1.052 -1.592 1.00 0.00 H new ATOM 0 HA THR A 26 5.392 3.891 -1.785 1.00 0.00 H new ATOM 0 HB THR A 26 7.408 1.680 -2.003 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.404 1.622 0.032 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.069 3.346 -1.235 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.354 3.769 -2.809 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.819 4.609 -1.334 1.00 0.00 H new ATOM 383 N GLN A 27 6.045 2.012 -4.415 1.00 0.00 N ATOM 384 CA GLN A 27 6.212 2.029 -5.860 1.00 0.00 C ATOM 385 C GLN A 27 4.926 2.490 -6.507 1.00 0.00 C ATOM 386 O GLN A 27 4.940 3.247 -7.475 1.00 0.00 O ATOM 387 CB GLN A 27 6.599 0.643 -6.374 1.00 0.00 C ATOM 388 CG GLN A 27 7.900 0.123 -5.789 1.00 0.00 C ATOM 389 CD GLN A 27 8.195 -1.305 -6.200 1.00 0.00 C ATOM 390 OE1 GLN A 27 8.374 -1.602 -7.381 1.00 0.00 O ATOM 391 NE2 GLN A 27 8.237 -2.199 -5.221 1.00 0.00 N ATOM 0 H GLN A 27 5.998 1.079 -4.007 1.00 0.00 H new ATOM 0 HA GLN A 27 7.014 2.720 -6.118 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.798 -0.059 -6.141 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.686 0.678 -7.460 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.720 0.766 -6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.854 0.182 -4.702 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.082 -1.906 -4.256 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.424 -3.179 -5.433 1.00 0.00 H new ATOM 400 N ALA A 28 3.804 2.047 -5.951 1.00 0.00 N ATOM 401 CA ALA A 28 2.512 2.447 -6.471 1.00 0.00 C ATOM 402 C ALA A 28 2.347 3.957 -6.350 1.00 0.00 C ATOM 403 O ALA A 28 1.679 4.586 -7.165 1.00 0.00 O ATOM 404 CB ALA A 28 1.388 1.729 -5.743 1.00 0.00 C ATOM 0 H ALA A 28 3.767 1.418 -5.149 1.00 0.00 H new ATOM 0 HA ALA A 28 2.462 2.169 -7.524 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.429 2.046 -6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.500 0.653 -5.873 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.428 1.972 -4.681 1.00 0.00 H new ATOM 410 N MET A 29 2.974 4.532 -5.326 1.00 0.00 N ATOM 411 CA MET A 29 2.909 5.965 -5.095 1.00 0.00 C ATOM 412 C MET A 29 3.871 6.699 -6.020 1.00 0.00 C ATOM 413 O MET A 29 3.624 7.839 -6.410 1.00 0.00 O ATOM 414 CB MET A 29 3.239 6.280 -3.636 1.00 0.00 C ATOM 415 CG MET A 29 3.215 7.763 -3.317 1.00 0.00 C ATOM 416 SD MET A 29 3.597 8.111 -1.590 1.00 0.00 S ATOM 417 CE MET A 29 2.277 7.223 -0.767 1.00 0.00 C ATOM 0 H MET A 29 3.534 4.021 -4.643 1.00 0.00 H new ATOM 0 HA MET A 29 1.895 6.304 -5.309 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.526 5.766 -2.991 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.226 5.882 -3.401 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.933 8.279 -3.954 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.230 8.166 -3.555 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.971 7.770 0.125 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.427 7.126 -1.443 1.00 0.00 H new ATOM 0 HE3 MET A 29 2.628 6.231 -0.481 1.00 0.00 H new ATOM 427 N GLU A 30 4.963 6.031 -6.378 1.00 0.00 N ATOM 428 CA GLU A 30 5.952 6.618 -7.270 1.00 0.00 C ATOM 429 C GLU A 30 5.511 6.453 -8.717 1.00 0.00 C ATOM 430 O GLU A 30 5.650 7.365 -9.531 1.00 0.00 O ATOM 431 CB GLU A 30 7.325 5.972 -7.061 1.00 0.00 C ATOM 432 CG GLU A 30 7.929 6.244 -5.692 1.00 0.00 C ATOM 433 CD GLU A 30 8.227 7.713 -5.461 1.00 0.00 C ATOM 434 OE1 GLU A 30 7.276 8.522 -5.476 1.00 0.00 O ATOM 435 OE2 GLU A 30 9.412 8.054 -5.265 1.00 0.00 O ATOM 0 H GLU A 30 5.184 5.086 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 30 6.035 7.680 -7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.234 4.895 -7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.008 6.336 -7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.243 5.892 -4.921 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.850 5.670 -5.586 1.00 0.00 H new ATOM 442 N LYS A 31 4.963 5.282 -9.021 1.00 0.00 N ATOM 443 CA LYS A 31 4.480 4.990 -10.364 1.00 0.00 C ATOM 444 C LYS A 31 3.092 5.594 -10.565 1.00 0.00 C ATOM 445 O LYS A 31 2.729 5.992 -11.672 1.00 0.00 O ATOM 446 CB LYS A 31 4.446 3.479 -10.601 1.00 0.00 C ATOM 447 CG LYS A 31 4.059 3.094 -12.019 1.00 0.00 C ATOM 448 CD LYS A 31 4.118 1.588 -12.224 1.00 0.00 C ATOM 449 CE LYS A 31 5.532 1.056 -12.050 1.00 0.00 C ATOM 450 NZ LYS A 31 6.484 1.688 -13.006 1.00 0.00 N ATOM 0 H LYS A 31 4.842 4.519 -8.355 1.00 0.00 H new ATOM 0 HA LYS A 31 5.163 5.436 -11.087 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.428 3.062 -10.375 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.740 3.026 -9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.052 3.452 -12.232 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.728 3.585 -12.726 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.453 1.097 -11.513 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.756 1.341 -13.222 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.866 1.240 -11.029 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.534 -0.024 -12.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.364 1.134 -13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.058 1.714 -13.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.696 2.657 -12.695 1.00 0.00 H new ATOM 464 N TYR A 32 2.332 5.680 -9.475 1.00 0.00 N ATOM 465 CA TYR A 32 0.993 6.261 -9.510 1.00 0.00 C ATOM 466 C TYR A 32 0.845 7.266 -8.382 1.00 0.00 C ATOM 467 O TYR A 32 1.226 7.000 -7.245 1.00 0.00 O ATOM 468 CB TYR A 32 -0.087 5.180 -9.416 1.00 0.00 C ATOM 469 CG TYR A 32 -0.098 4.222 -10.585 1.00 0.00 C ATOM 470 CD1 TYR A 32 0.886 3.253 -10.728 1.00 0.00 C ATOM 471 CD2 TYR A 32 -1.094 4.289 -11.551 1.00 0.00 C ATOM 472 CE1 TYR A 32 0.876 2.377 -11.797 1.00 0.00 C ATOM 473 CE2 TYR A 32 -1.111 3.418 -12.623 1.00 0.00 C ATOM 474 CZ TYR A 32 -0.125 2.464 -12.742 1.00 0.00 C ATOM 475 OH TYR A 32 -0.138 1.593 -13.807 1.00 0.00 O ATOM 0 H TYR A 32 2.623 5.353 -8.554 1.00 0.00 H new ATOM 0 HA TYR A 32 0.861 6.770 -10.465 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.059 4.614 -8.496 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.063 5.660 -9.343 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.673 3.183 -9.991 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.869 5.036 -11.462 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.648 1.628 -11.892 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.894 3.485 -13.364 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.909 1.787 -14.379 1.00 0.00 H new ATOM 485 N ASN A 33 0.304 8.433 -8.705 1.00 0.00 N ATOM 486 CA ASN A 33 0.126 9.487 -7.719 1.00 0.00 C ATOM 487 C ASN A 33 -1.348 9.691 -7.403 1.00 0.00 C ATOM 488 O ASN A 33 -1.719 10.657 -6.739 1.00 0.00 O ATOM 489 CB ASN A 33 0.740 10.795 -8.226 1.00 0.00 C ATOM 490 CG ASN A 33 2.235 10.697 -8.516 1.00 0.00 C ATOM 491 OD1 ASN A 33 2.819 11.616 -9.091 1.00 0.00 O ATOM 492 ND2 ASN A 33 2.872 9.600 -8.105 1.00 0.00 N ATOM 0 H ASN A 33 -0.019 8.672 -9.642 1.00 0.00 H new ATOM 0 HA ASN A 33 0.635 9.186 -6.803 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.222 11.102 -9.135 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.573 11.576 -7.485 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.875 9.503 -8.264 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.356 8.858 -7.632 1.00 0.00 H new ATOM 499 N ILE A 34 -2.186 8.777 -7.878 1.00 0.00 N ATOM 500 CA ILE A 34 -3.614 8.873 -7.634 1.00 0.00 C ATOM 501 C ILE A 34 -3.977 8.147 -6.339 1.00 0.00 C ATOM 502 O ILE A 34 -3.110 7.871 -5.511 1.00 0.00 O ATOM 503 CB ILE A 34 -4.436 8.268 -8.794 1.00 0.00 C ATOM 504 CG1 ILE A 34 -3.587 8.126 -10.061 1.00 0.00 C ATOM 505 CG2 ILE A 34 -5.681 9.108 -9.055 1.00 0.00 C ATOM 506 CD1 ILE A 34 -4.385 8.044 -11.348 1.00 0.00 C ATOM 0 H ILE A 34 -1.901 7.968 -8.430 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.857 9.932 -7.553 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.754 7.267 -8.502 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.907 8.975 -10.124 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.972 7.231 -9.972 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.250 8.670 -9.875 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.298 9.132 -8.157 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.386 10.123 -9.320 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.704 7.945 -12.193 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.046 7.178 -11.312 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.980 8.950 -11.466 1.00 0.00 H new ATOM 518 N GLU A 35 -5.256 7.827 -6.181 1.00 0.00 N ATOM 519 CA GLU A 35 -5.725 7.115 -5.000 1.00 0.00 C ATOM 520 C GLU A 35 -6.468 5.848 -5.407 1.00 0.00 C ATOM 521 O GLU A 35 -6.475 4.858 -4.677 1.00 0.00 O ATOM 522 CB GLU A 35 -6.625 8.006 -4.138 1.00 0.00 C ATOM 523 CG GLU A 35 -7.899 8.463 -4.836 1.00 0.00 C ATOM 524 CD GLU A 35 -7.630 9.420 -5.982 1.00 0.00 C ATOM 525 OE1 GLU A 35 -7.050 10.498 -5.734 1.00 0.00 O ATOM 526 OE2 GLU A 35 -8.001 9.091 -7.129 1.00 0.00 O ATOM 0 H GLU A 35 -5.987 8.050 -6.857 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.855 6.839 -4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.895 7.463 -3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.059 8.884 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.433 7.591 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.552 8.947 -4.110 1.00 0.00 H new ATOM 533 N LYS A 36 -7.079 5.884 -6.587 1.00 0.00 N ATOM 534 CA LYS A 36 -7.810 4.738 -7.104 1.00 0.00 C ATOM 535 C LYS A 36 -6.896 3.851 -7.946 1.00 0.00 C ATOM 536 O LYS A 36 -7.207 2.685 -8.190 1.00 0.00 O ATOM 537 CB LYS A 36 -9.006 5.203 -7.937 1.00 0.00 C ATOM 538 CG LYS A 36 -9.998 6.050 -7.157 1.00 0.00 C ATOM 539 CD LYS A 36 -11.171 6.477 -8.023 1.00 0.00 C ATOM 540 CE LYS A 36 -10.714 7.319 -9.205 1.00 0.00 C ATOM 541 NZ LYS A 36 -10.015 8.560 -8.770 1.00 0.00 N ATOM 0 H LYS A 36 -7.081 6.697 -7.203 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.175 4.155 -6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.643 5.776 -8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.522 4.330 -8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.364 5.485 -6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.494 6.933 -6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.697 5.594 -8.386 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.880 7.046 -7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.047 6.729 -9.834 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.577 7.584 -9.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.751 9.120 -9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.647 9.120 -8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.158 8.307 -8.237 1.00 0.00 H new ATOM 555 N ASP A 37 -5.758 4.400 -8.374 1.00 0.00 N ATOM 556 CA ASP A 37 -4.803 3.645 -9.166 1.00 0.00 C ATOM 557 C ASP A 37 -3.799 2.970 -8.250 1.00 0.00 C ATOM 558 O ASP A 37 -3.264 1.913 -8.570 1.00 0.00 O ATOM 559 CB ASP A 37 -4.095 4.552 -10.169 1.00 0.00 C ATOM 560 CG ASP A 37 -5.057 5.140 -11.183 1.00 0.00 C ATOM 561 OD1 ASP A 37 -6.035 5.792 -10.762 1.00 0.00 O ATOM 562 OD2 ASP A 37 -4.831 4.949 -12.397 1.00 0.00 O ATOM 0 H ASP A 37 -5.481 5.363 -8.183 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.338 2.880 -9.728 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.593 5.359 -9.636 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.323 3.984 -10.689 1.00 0.00 H new ATOM 567 N ILE A 38 -3.576 3.576 -7.090 1.00 0.00 N ATOM 568 CA ILE A 38 -2.669 3.013 -6.108 1.00 0.00 C ATOM 569 C ILE A 38 -3.311 1.769 -5.530 1.00 0.00 C ATOM 570 O ILE A 38 -2.656 0.762 -5.269 1.00 0.00 O ATOM 571 CB ILE A 38 -2.392 3.999 -4.955 1.00 0.00 C ATOM 572 CG1 ILE A 38 -2.022 5.375 -5.505 1.00 0.00 C ATOM 573 CG2 ILE A 38 -1.285 3.466 -4.053 1.00 0.00 C ATOM 574 CD1 ILE A 38 -0.794 5.361 -6.379 1.00 0.00 C ATOM 0 H ILE A 38 -4.011 4.455 -6.810 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.723 2.789 -6.600 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.300 4.100 -4.361 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.862 5.767 -6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.858 6.059 -4.672 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.102 4.174 -3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.588 2.507 -3.634 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.373 3.336 -4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.589 6.371 -6.735 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.058 4.999 -5.803 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.962 4.703 -7.232 1.00 0.00 H new ATOM 586 N ALA A 39 -4.621 1.856 -5.364 1.00 0.00 N ATOM 587 CA ALA A 39 -5.405 0.751 -4.836 1.00 0.00 C ATOM 588 C ALA A 39 -5.736 -0.230 -5.944 1.00 0.00 C ATOM 589 O ALA A 39 -5.918 -1.422 -5.704 1.00 0.00 O ATOM 590 CB ALA A 39 -6.677 1.267 -4.181 1.00 0.00 C ATOM 0 H ALA A 39 -5.167 2.687 -5.589 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.816 0.234 -4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.252 0.427 -3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.418 1.940 -3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.274 1.804 -4.918 1.00 0.00 H new ATOM 596 N ALA A 40 -5.788 0.283 -7.166 1.00 0.00 N ATOM 597 CA ALA A 40 -6.077 -0.547 -8.323 1.00 0.00 C ATOM 598 C ALA A 40 -4.796 -1.170 -8.858 1.00 0.00 C ATOM 599 O ALA A 40 -4.828 -2.188 -9.548 1.00 0.00 O ATOM 600 CB ALA A 40 -6.768 0.268 -9.407 1.00 0.00 C ATOM 0 H ALA A 40 -5.634 1.268 -7.379 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.750 -1.347 -8.016 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.976 -0.371 -10.265 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.704 0.671 -9.019 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.120 1.089 -9.714 1.00 0.00 H new ATOM 606 N TYR A 41 -3.665 -0.556 -8.521 1.00 0.00 N ATOM 607 CA TYR A 41 -2.367 -1.057 -8.962 1.00 0.00 C ATOM 608 C TYR A 41 -1.828 -2.072 -7.965 1.00 0.00 C ATOM 609 O TYR A 41 -1.115 -3.003 -8.332 1.00 0.00 O ATOM 610 CB TYR A 41 -1.373 0.092 -9.133 1.00 0.00 C ATOM 611 CG TYR A 41 -0.022 -0.349 -9.652 1.00 0.00 C ATOM 612 CD1 TYR A 41 0.096 -0.998 -10.872 1.00 0.00 C ATOM 613 CD2 TYR A 41 1.134 -0.114 -8.919 1.00 0.00 C ATOM 614 CE1 TYR A 41 1.329 -1.403 -11.350 1.00 0.00 C ATOM 615 CE2 TYR A 41 2.371 -0.514 -9.390 1.00 0.00 C ATOM 616 CZ TYR A 41 2.462 -1.158 -10.606 1.00 0.00 C ATOM 617 OH TYR A 41 3.692 -1.557 -11.078 1.00 0.00 O ATOM 0 H TYR A 41 -3.621 0.286 -7.946 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.498 -1.545 -9.928 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.794 0.827 -9.819 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.239 0.592 -8.173 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.790 -1.190 -11.459 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.066 0.389 -7.966 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.403 -1.909 -12.301 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.261 -0.323 -8.809 1.00 0.00 H new ATOM 0 HH TYR A 41 4.387 -1.307 -10.433 1.00 0.00 H new ATOM 627 N ILE A 42 -2.198 -1.894 -6.703 1.00 0.00 N ATOM 628 CA ILE A 42 -1.781 -2.800 -5.645 1.00 0.00 C ATOM 629 C ILE A 42 -2.748 -3.970 -5.574 1.00 0.00 C ATOM 630 O ILE A 42 -2.368 -5.097 -5.248 1.00 0.00 O ATOM 631 CB ILE A 42 -1.743 -2.083 -4.282 1.00 0.00 C ATOM 632 CG1 ILE A 42 -0.762 -0.911 -4.328 1.00 0.00 C ATOM 633 CG2 ILE A 42 -1.355 -3.054 -3.174 1.00 0.00 C ATOM 634 CD1 ILE A 42 -0.998 0.111 -3.238 1.00 0.00 C ATOM 0 H ILE A 42 -2.790 -1.125 -6.388 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.776 -3.156 -5.873 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.740 -1.698 -4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.255 -1.294 -4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.838 -0.421 -5.299 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.334 -2.528 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.085 -3.862 -3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.368 -3.468 -3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.268 0.915 -3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.003 0.521 -3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.893 -0.366 -2.263 1.00 0.00 H new ATOM 646 N LYS A 43 -3.999 -3.691 -5.914 1.00 0.00 N ATOM 647 CA LYS A 43 -5.035 -4.708 -5.923 1.00 0.00 C ATOM 648 C LYS A 43 -4.880 -5.554 -7.167 1.00 0.00 C ATOM 649 O LYS A 43 -5.059 -6.771 -7.138 1.00 0.00 O ATOM 650 CB LYS A 43 -6.422 -4.061 -5.904 1.00 0.00 C ATOM 651 CG LYS A 43 -7.566 -5.057 -5.859 1.00 0.00 C ATOM 652 CD LYS A 43 -8.907 -4.378 -6.097 1.00 0.00 C ATOM 653 CE LYS A 43 -9.133 -3.215 -5.143 1.00 0.00 C ATOM 654 NZ LYS A 43 -9.128 -3.650 -3.720 1.00 0.00 N ATOM 0 H LYS A 43 -4.320 -2.762 -6.188 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.935 -5.331 -5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.493 -3.402 -5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.532 -3.436 -6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.408 -5.828 -6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.577 -5.557 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.954 -4.018 -7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.709 -5.107 -5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.356 -2.465 -5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.086 -2.738 -5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.149 -2.814 -3.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.964 -4.239 -3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.267 -4.201 -3.528 1.00 0.00 H new ATOM 668 N LYS A 44 -4.515 -4.894 -8.259 1.00 0.00 N ATOM 669 CA LYS A 44 -4.306 -5.579 -9.523 1.00 0.00 C ATOM 670 C LYS A 44 -2.972 -6.312 -9.503 1.00 0.00 C ATOM 671 O LYS A 44 -2.807 -7.349 -10.148 1.00 0.00 O ATOM 672 CB LYS A 44 -4.337 -4.582 -10.684 1.00 0.00 C ATOM 673 CG LYS A 44 -4.048 -5.207 -12.039 1.00 0.00 C ATOM 674 CD LYS A 44 -4.046 -4.163 -13.143 1.00 0.00 C ATOM 675 CE LYS A 44 -3.701 -4.778 -14.489 1.00 0.00 C ATOM 676 NZ LYS A 44 -3.713 -3.764 -15.581 1.00 0.00 N ATOM 0 H LYS A 44 -4.358 -3.887 -8.292 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.109 -6.302 -9.664 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.317 -4.106 -10.716 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.607 -3.795 -10.494 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.081 -5.710 -12.010 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.797 -5.968 -12.257 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.026 -3.689 -13.199 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.326 -3.380 -12.904 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.716 -5.242 -14.435 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.414 -5.569 -14.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.473 -4.222 -16.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.660 -3.339 -15.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.015 -3.022 -15.373 1.00 0.00 H new ATOM 690 N GLU A 45 -2.020 -5.757 -8.758 1.00 0.00 N ATOM 691 CA GLU A 45 -0.692 -6.351 -8.659 1.00 0.00 C ATOM 692 C GLU A 45 -0.689 -7.599 -7.781 1.00 0.00 C ATOM 693 O GLU A 45 0.086 -8.524 -8.018 1.00 0.00 O ATOM 694 CB GLU A 45 0.308 -5.328 -8.112 1.00 0.00 C ATOM 695 CG GLU A 45 1.712 -5.885 -7.929 1.00 0.00 C ATOM 696 CD GLU A 45 2.312 -6.390 -9.227 1.00 0.00 C ATOM 697 OE1 GLU A 45 2.452 -5.584 -10.171 1.00 0.00 O ATOM 698 OE2 GLU A 45 2.643 -7.592 -9.299 1.00 0.00 O ATOM 0 H GLU A 45 -2.143 -4.901 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.395 -6.650 -9.664 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.350 -4.475 -8.790 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.054 -4.956 -7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.355 -5.110 -7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.685 -6.699 -7.205 1.00 0.00 H new ATOM 705 N PHE A 46 -1.535 -7.621 -6.757 1.00 0.00 N ATOM 706 CA PHE A 46 -1.584 -8.764 -5.852 1.00 0.00 C ATOM 707 C PHE A 46 -2.582 -9.835 -6.296 1.00 0.00 C ATOM 708 O PHE A 46 -2.430 -11.002 -5.940 1.00 0.00 O ATOM 709 CB PHE A 46 -1.892 -8.308 -4.426 1.00 0.00 C ATOM 710 CG PHE A 46 -0.699 -7.718 -3.728 1.00 0.00 C ATOM 711 CD1 PHE A 46 0.463 -8.459 -3.580 1.00 0.00 C ATOM 712 CD2 PHE A 46 -0.736 -6.430 -3.221 1.00 0.00 C ATOM 713 CE1 PHE A 46 1.565 -7.928 -2.942 1.00 0.00 C ATOM 714 CE2 PHE A 46 0.365 -5.891 -2.579 1.00 0.00 C ATOM 715 CZ PHE A 46 1.516 -6.643 -2.440 1.00 0.00 C ATOM 0 H PHE A 46 -2.189 -6.871 -6.534 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.596 -9.224 -5.879 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.693 -7.569 -4.452 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.260 -9.157 -3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.506 -9.465 -3.969 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.634 -5.840 -3.328 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.464 -8.517 -2.836 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.325 -4.885 -2.188 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.377 -6.226 -1.939 1.00 0.00 H new ATOM 725 N ASP A 47 -3.606 -9.455 -7.056 1.00 0.00 N ATOM 726 CA ASP A 47 -4.600 -10.428 -7.501 1.00 0.00 C ATOM 727 C ASP A 47 -4.171 -11.127 -8.789 1.00 0.00 C ATOM 728 O ASP A 47 -4.432 -12.316 -8.969 1.00 0.00 O ATOM 729 CB ASP A 47 -5.966 -9.763 -7.698 1.00 0.00 C ATOM 730 CG ASP A 47 -5.953 -8.684 -8.763 1.00 0.00 C ATOM 731 OD1 ASP A 47 -4.865 -8.385 -9.294 1.00 0.00 O ATOM 732 OD2 ASP A 47 -7.032 -8.129 -9.058 1.00 0.00 O ATOM 0 H ASP A 47 -3.768 -8.499 -7.372 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.682 -11.182 -6.718 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.698 -10.524 -7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.292 -9.329 -6.753 1.00 0.00 H new ATOM 737 N LYS A 48 -3.534 -10.388 -9.689 1.00 0.00 N ATOM 738 CA LYS A 48 -3.103 -10.955 -10.962 1.00 0.00 C ATOM 739 C LYS A 48 -1.686 -11.529 -10.907 1.00 0.00 C ATOM 740 O LYS A 48 -1.204 -12.072 -11.901 1.00 0.00 O ATOM 741 CB LYS A 48 -3.197 -9.902 -12.068 1.00 0.00 C ATOM 742 CG LYS A 48 -4.620 -9.435 -12.336 1.00 0.00 C ATOM 743 CD LYS A 48 -4.680 -8.450 -13.491 1.00 0.00 C ATOM 744 CE LYS A 48 -6.110 -8.017 -13.775 1.00 0.00 C ATOM 745 NZ LYS A 48 -6.191 -7.079 -14.930 1.00 0.00 N ATOM 0 H LYS A 48 -3.305 -9.402 -9.563 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.776 -11.784 -11.181 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.585 -9.042 -11.794 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.778 -10.312 -12.987 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.250 -10.296 -12.559 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.025 -8.968 -11.438 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.073 -7.575 -13.258 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.252 -8.906 -14.384 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.721 -8.896 -13.979 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.526 -7.538 -12.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.016 -7.320 -15.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.288 -6.105 -14.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.326 -7.157 -15.502 1.00 0.00 H new ATOM 759 N LYS A 49 -1.008 -11.411 -9.763 1.00 0.00 N ATOM 760 CA LYS A 49 0.354 -11.934 -9.656 1.00 0.00 C ATOM 761 C LYS A 49 0.582 -12.719 -8.369 1.00 0.00 C ATOM 762 O LYS A 49 1.714 -12.825 -7.897 1.00 0.00 O ATOM 763 CB LYS A 49 1.387 -10.808 -9.762 1.00 0.00 C ATOM 764 CG LYS A 49 1.313 -10.010 -11.056 1.00 0.00 C ATOM 765 CD LYS A 49 0.256 -8.919 -10.987 1.00 0.00 C ATOM 766 CE LYS A 49 0.160 -8.154 -12.298 1.00 0.00 C ATOM 767 NZ LYS A 49 -0.864 -7.073 -12.238 1.00 0.00 N ATOM 0 H LYS A 49 -1.369 -10.969 -8.917 1.00 0.00 H new ATOM 0 HA LYS A 49 0.482 -12.622 -10.492 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.253 -10.128 -8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.385 -11.236 -9.670 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.285 -9.562 -11.263 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.089 -10.681 -11.885 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.711 -9.362 -10.751 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.496 -8.229 -10.178 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.131 -7.721 -12.537 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.088 -8.845 -13.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.429 -7.082 -13.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.487 -7.230 -11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.391 -6.152 -12.141 1.00 0.00 H new ATOM 781 N TYR A 50 -0.479 -13.284 -7.811 1.00 0.00 N ATOM 782 CA TYR A 50 -0.360 -14.071 -6.597 1.00 0.00 C ATOM 783 C TYR A 50 -1.545 -15.011 -6.468 1.00 0.00 C ATOM 784 O TYR A 50 -1.391 -16.177 -6.112 1.00 0.00 O ATOM 785 CB TYR A 50 -0.274 -13.159 -5.370 1.00 0.00 C ATOM 786 CG TYR A 50 0.085 -13.877 -4.082 1.00 0.00 C ATOM 787 CD1 TYR A 50 0.424 -15.228 -4.074 1.00 0.00 C ATOM 788 CD2 TYR A 50 0.087 -13.198 -2.871 1.00 0.00 C ATOM 789 CE1 TYR A 50 0.752 -15.875 -2.898 1.00 0.00 C ATOM 790 CE2 TYR A 50 0.414 -13.840 -1.692 1.00 0.00 C ATOM 791 CZ TYR A 50 0.745 -15.178 -1.711 1.00 0.00 C ATOM 792 OH TYR A 50 1.072 -15.819 -0.538 1.00 0.00 O ATOM 0 H TYR A 50 -1.427 -13.211 -8.179 1.00 0.00 H new ATOM 0 HA TYR A 50 0.556 -14.660 -6.654 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.469 -12.384 -5.559 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.232 -12.657 -5.237 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.431 -15.779 -5.003 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.172 -12.150 -2.850 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.013 -16.923 -2.910 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.410 -13.296 -0.759 1.00 0.00 H new ATOM 0 HH TYR A 50 1.019 -15.185 0.207 1.00 0.00 H new ATOM 802 N ASN A 51 -2.731 -14.474 -6.748 1.00 0.00 N ATOM 803 CA ASN A 51 -3.983 -15.223 -6.657 1.00 0.00 C ATOM 804 C ASN A 51 -5.156 -14.270 -6.438 1.00 0.00 C ATOM 805 O ASN A 51 -5.201 -13.559 -5.434 1.00 0.00 O ATOM 806 CB ASN A 51 -3.943 -16.229 -5.501 1.00 0.00 C ATOM 807 CG ASN A 51 -3.506 -15.614 -4.176 1.00 0.00 C ATOM 808 OD1 ASN A 51 -3.537 -16.282 -3.141 1.00 0.00 O ATOM 809 ND2 ASN A 51 -3.080 -14.348 -4.188 1.00 0.00 N ATOM 0 H ASN A 51 -2.851 -13.506 -7.045 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.112 -15.762 -7.595 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.932 -16.670 -5.379 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.262 -17.040 -5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.768 -13.907 -3.323 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.067 -13.823 -5.062 1.00 0.00 H new ATOM 816 N PRO A 52 -6.130 -14.239 -7.363 1.00 0.00 N ATOM 817 CA PRO A 52 -7.295 -13.363 -7.231 1.00 0.00 C ATOM 818 C PRO A 52 -8.211 -13.808 -6.083 1.00 0.00 C ATOM 819 O PRO A 52 -8.471 -15.001 -5.929 1.00 0.00 O ATOM 820 CB PRO A 52 -8.009 -13.511 -8.577 1.00 0.00 C ATOM 821 CG PRO A 52 -7.585 -14.846 -9.086 1.00 0.00 C ATOM 822 CD PRO A 52 -6.180 -15.050 -8.593 1.00 0.00 C ATOM 0 HA PRO A 52 -7.016 -12.335 -7.000 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.091 -13.458 -8.459 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.724 -12.716 -9.266 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.245 -15.631 -8.718 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.625 -14.879 -10.175 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.974 -16.101 -8.390 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.445 -14.716 -9.325 1.00 0.00 H new ATOM 830 N THR A 53 -8.701 -12.858 -5.277 1.00 0.00 N ATOM 831 CA THR A 53 -8.397 -11.443 -5.456 1.00 0.00 C ATOM 832 C THR A 53 -8.209 -10.765 -4.117 1.00 0.00 C ATOM 833 O THR A 53 -8.765 -11.183 -3.103 1.00 0.00 O ATOM 834 CB THR A 53 -9.507 -10.741 -6.230 1.00 0.00 C ATOM 835 OG1 THR A 53 -9.886 -11.496 -7.367 1.00 0.00 O ATOM 836 CG2 THR A 53 -9.120 -9.359 -6.710 1.00 0.00 C ATOM 0 H THR A 53 -9.316 -13.053 -4.487 1.00 0.00 H new ATOM 0 HA THR A 53 -7.471 -11.373 -6.026 1.00 0.00 H new ATOM 0 HB THR A 53 -10.333 -10.648 -5.524 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.600 -11.028 -7.847 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.955 -8.916 -7.253 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.871 -8.733 -5.853 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.255 -9.432 -7.370 1.00 0.00 H new ATOM 844 N TRP A 54 -7.422 -9.710 -4.130 1.00 0.00 N ATOM 845 CA TRP A 54 -7.147 -8.950 -2.922 1.00 0.00 C ATOM 846 C TRP A 54 -8.019 -7.704 -2.858 1.00 0.00 C ATOM 847 O TRP A 54 -8.548 -7.253 -3.873 1.00 0.00 O ATOM 848 CB TRP A 54 -5.670 -8.570 -2.853 1.00 0.00 C ATOM 849 CG TRP A 54 -4.754 -9.755 -2.869 1.00 0.00 C ATOM 850 CD1 TRP A 54 -4.338 -10.462 -3.962 1.00 0.00 C ATOM 851 CD2 TRP A 54 -4.169 -10.391 -1.732 1.00 0.00 C ATOM 852 NE1 TRP A 54 -3.501 -11.483 -3.571 1.00 0.00 N ATOM 853 CE2 TRP A 54 -3.387 -11.461 -2.204 1.00 0.00 C ATOM 854 CE3 TRP A 54 -4.225 -10.148 -0.359 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -2.668 -12.290 -1.344 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -3.514 -10.971 0.492 1.00 0.00 C ATOM 857 CH2 TRP A 54 -2.742 -12.030 -0.004 1.00 0.00 C ATOM 0 H TRP A 54 -6.958 -9.355 -4.966 1.00 0.00 H new ATOM 0 HA TRP A 54 -7.384 -9.578 -2.064 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.429 -7.921 -3.695 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.492 -7.994 -1.945 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.624 -10.251 -4.982 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.041 -12.146 -4.195 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.814 -9.331 0.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.074 -13.108 -1.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.554 -10.796 1.557 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.194 -12.654 0.687 1.00 0.00 H new ATOM 868 N HIS A 55 -8.172 -7.156 -1.658 1.00 0.00 N ATOM 869 CA HIS A 55 -8.993 -5.968 -1.467 1.00 0.00 C ATOM 870 C HIS A 55 -8.230 -4.867 -0.734 1.00 0.00 C ATOM 871 O HIS A 55 -8.634 -4.430 0.344 1.00 0.00 O ATOM 872 CB HIS A 55 -10.267 -6.325 -0.699 1.00 0.00 C ATOM 873 CG HIS A 55 -11.154 -7.287 -1.426 1.00 0.00 C ATOM 874 ND1 HIS A 55 -10.748 -8.551 -1.800 1.00 0.00 N ATOM 875 CD2 HIS A 55 -12.434 -7.165 -1.850 1.00 0.00 C ATOM 876 CE1 HIS A 55 -11.740 -9.165 -2.422 1.00 0.00 C ATOM 877 NE2 HIS A 55 -12.775 -8.344 -2.465 1.00 0.00 N ATOM 0 H HIS A 55 -7.740 -7.514 -0.806 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.260 -5.588 -2.453 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -9.992 -6.754 0.265 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.826 -5.412 -0.494 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -13.069 -6.300 -1.727 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.710 -10.166 -2.826 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -13.680 -8.553 -2.887 1.00 0.00 H new ATOM 886 N CYS A 56 -7.128 -4.417 -1.327 1.00 0.00 N ATOM 887 CA CYS A 56 -6.320 -3.362 -0.727 1.00 0.00 C ATOM 888 C CYS A 56 -6.935 -1.991 -0.991 1.00 0.00 C ATOM 889 O CYS A 56 -7.237 -1.644 -2.133 1.00 0.00 O ATOM 890 CB CYS A 56 -4.887 -3.408 -1.263 1.00 0.00 C ATOM 891 SG CYS A 56 -4.756 -3.143 -3.047 1.00 0.00 S ATOM 0 H CYS A 56 -6.776 -4.765 -2.219 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.296 -3.529 0.350 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.294 -2.651 -0.750 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.450 -4.376 -1.017 1.00 0.00 H new ATOM 0 HG CYS A 56 -5.692 -2.328 -3.434 1.00 0.00 H new ATOM 897 N ILE A 57 -7.135 -1.225 0.076 1.00 0.00 N ATOM 898 CA ILE A 57 -7.733 0.097 -0.031 1.00 0.00 C ATOM 899 C ILE A 57 -6.882 1.162 0.650 1.00 0.00 C ATOM 900 O ILE A 57 -5.999 0.853 1.450 1.00 0.00 O ATOM 901 CB ILE A 57 -9.128 0.111 0.612 1.00 0.00 C ATOM 902 CG1 ILE A 57 -9.927 -1.108 0.150 1.00 0.00 C ATOM 903 CG2 ILE A 57 -9.859 1.405 0.272 1.00 0.00 C ATOM 904 CD1 ILE A 57 -11.381 -1.083 0.571 1.00 0.00 C ATOM 0 H ILE A 57 -6.890 -1.500 1.027 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.802 0.324 -1.095 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.020 0.062 1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -9.875 -1.174 -0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.459 -2.009 0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.846 1.398 0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.288 2.255 0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -9.967 1.489 -0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.881 -1.980 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -11.444 -1.049 1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.866 -0.202 0.152 1.00 0.00 H new ATOM 916 N VAL A 58 -7.158 2.421 0.323 1.00 0.00 N ATOM 917 CA VAL A 58 -6.434 3.543 0.894 1.00 0.00 C ATOM 918 C VAL A 58 -7.408 4.604 1.418 1.00 0.00 C ATOM 919 O VAL A 58 -8.460 4.832 0.820 1.00 0.00 O ATOM 920 CB VAL A 58 -5.514 4.177 -0.163 1.00 0.00 C ATOM 921 CG1 VAL A 58 -6.326 4.902 -1.229 1.00 0.00 C ATOM 922 CG2 VAL A 58 -4.502 5.111 0.483 1.00 0.00 C ATOM 0 H VAL A 58 -7.885 2.687 -0.341 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.832 3.170 1.723 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.962 3.374 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.652 5.341 -1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.991 4.194 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.917 5.690 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.864 5.545 -0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.027 5.907 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.888 4.551 1.189 1.00 0.00 H new ATOM 932 N GLY A 59 -7.063 5.249 2.533 1.00 0.00 N ATOM 933 CA GLY A 59 -7.938 6.271 3.089 1.00 0.00 C ATOM 934 C GLY A 59 -7.228 7.194 4.061 1.00 0.00 C ATOM 935 O GLY A 59 -6.008 7.328 4.018 1.00 0.00 O ATOM 0 H GLY A 59 -6.203 5.085 3.056 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.359 6.863 2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.773 5.789 3.598 1.00 0.00 H new ATOM 939 N ARG A 60 -7.995 7.844 4.934 1.00 0.00 N ATOM 940 CA ARG A 60 -7.436 8.764 5.907 1.00 0.00 C ATOM 941 C ARG A 60 -7.872 8.401 7.327 1.00 0.00 C ATOM 942 O ARG A 60 -8.695 9.088 7.929 1.00 0.00 O ATOM 943 CB ARG A 60 -7.867 10.192 5.570 1.00 0.00 C ATOM 944 CG ARG A 60 -7.366 11.225 6.559 1.00 0.00 C ATOM 945 CD ARG A 60 -7.811 12.628 6.176 1.00 0.00 C ATOM 946 NE ARG A 60 -7.330 13.633 7.120 1.00 0.00 N ATOM 947 CZ ARG A 60 -6.046 13.948 7.283 1.00 0.00 C ATOM 948 NH1 ARG A 60 -5.113 13.370 6.538 1.00 0.00 N ATOM 949 NH2 ARG A 60 -5.696 14.855 8.185 1.00 0.00 N ATOM 0 H ARG A 60 -9.009 7.746 4.983 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.349 8.693 5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.503 10.447 4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.955 10.235 5.532 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.736 10.985 7.556 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.278 11.188 6.605 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.444 12.864 5.177 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.900 12.664 6.132 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.019 14.124 7.689 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.377 12.680 5.835 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.132 13.616 6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.410 15.311 8.753 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.713 15.097 8.310 1.00 0.00 H new ATOM 963 N SER A 61 -7.307 7.316 7.857 1.00 0.00 N ATOM 964 CA SER A 61 -7.625 6.857 9.210 1.00 0.00 C ATOM 965 C SER A 61 -9.128 6.908 9.475 1.00 0.00 C ATOM 966 O SER A 61 -9.568 7.339 10.542 1.00 0.00 O ATOM 967 CB SER A 61 -6.884 7.705 10.245 1.00 0.00 C ATOM 968 OG SER A 61 -7.250 9.071 10.142 1.00 0.00 O ATOM 0 H SER A 61 -6.624 6.737 7.368 1.00 0.00 H new ATOM 0 HA SER A 61 -7.300 5.820 9.295 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.109 7.340 11.247 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.808 7.602 10.102 1.00 0.00 H new ATOM 0 HG SER A 61 -8.069 9.151 9.609 1.00 0.00 H new ATOM 974 N GLY A 62 -9.908 6.473 8.495 1.00 0.00 N ATOM 975 CA GLY A 62 -11.354 6.483 8.633 1.00 0.00 C ATOM 976 C GLY A 62 -11.904 5.239 9.309 1.00 0.00 C ATOM 977 O GLY A 62 -13.114 5.013 9.302 1.00 0.00 O ATOM 0 H GLY A 62 -9.566 6.112 7.604 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.651 7.361 9.207 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.805 6.581 7.646 1.00 0.00 H new ATOM 981 N ASN A 63 -11.027 4.427 9.894 1.00 0.00 N ATOM 982 CA ASN A 63 -11.456 3.207 10.566 1.00 0.00 C ATOM 983 C ASN A 63 -12.141 2.273 9.574 1.00 0.00 C ATOM 984 O ASN A 63 -13.339 2.007 9.672 1.00 0.00 O ATOM 985 CB ASN A 63 -12.408 3.540 11.720 1.00 0.00 C ATOM 986 CG ASN A 63 -12.827 2.327 12.543 1.00 0.00 C ATOM 987 OD1 ASN A 63 -13.698 2.432 13.404 1.00 0.00 O ATOM 988 ND2 ASN A 63 -12.202 1.173 12.306 1.00 0.00 N ATOM 0 H ASN A 63 -10.021 4.592 9.916 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.577 2.706 10.972 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.927 4.265 12.377 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -13.300 4.019 11.316 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.442 0.342 12.847 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.484 1.121 11.584 1.00 0.00 H new ATOM 995 N PHE A 64 -11.367 1.790 8.610 1.00 0.00 N ATOM 996 CA PHE A 64 -11.882 0.896 7.584 1.00 0.00 C ATOM 997 C PHE A 64 -10.908 -0.246 7.319 1.00 0.00 C ATOM 998 O PHE A 64 -10.125 -0.200 6.371 1.00 0.00 O ATOM 999 CB PHE A 64 -12.145 1.676 6.292 1.00 0.00 C ATOM 1000 CG PHE A 64 -10.929 2.385 5.757 1.00 0.00 C ATOM 1001 CD1 PHE A 64 -10.297 3.367 6.504 1.00 0.00 C ATOM 1002 CD2 PHE A 64 -10.416 2.062 4.512 1.00 0.00 C ATOM 1003 CE1 PHE A 64 -9.177 4.010 6.018 1.00 0.00 C ATOM 1004 CE2 PHE A 64 -9.297 2.707 4.022 1.00 0.00 C ATOM 1005 CZ PHE A 64 -8.678 3.680 4.778 1.00 0.00 C ATOM 0 H PHE A 64 -10.374 2.005 8.519 1.00 0.00 H new ATOM 0 HA PHE A 64 -12.819 0.469 7.940 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -12.518 0.989 5.532 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -12.932 2.408 6.473 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -10.685 3.632 7.476 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -10.896 1.298 3.918 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -8.692 4.772 6.610 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.908 2.450 3.048 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.802 4.183 4.397 1.00 0.00 H new ATOM 1015 N GLY A 65 -10.964 -1.268 8.165 1.00 0.00 N ATOM 1016 CA GLY A 65 -10.080 -2.409 8.007 1.00 0.00 C ATOM 1017 C GLY A 65 -10.354 -3.515 9.010 1.00 0.00 C ATOM 1018 O GLY A 65 -10.151 -4.691 8.715 1.00 0.00 O ATOM 0 H GLY A 65 -11.604 -1.328 8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.186 -2.807 6.998 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.047 -2.078 8.112 1.00 0.00 H new ATOM 1022 N SER A 66 -10.811 -3.138 10.201 1.00 0.00 N ATOM 1023 CA SER A 66 -11.106 -4.110 11.247 1.00 0.00 C ATOM 1024 C SER A 66 -12.584 -4.495 11.239 1.00 0.00 C ATOM 1025 O SER A 66 -13.162 -4.788 12.284 1.00 0.00 O ATOM 1026 CB SER A 66 -10.721 -3.549 12.616 1.00 0.00 C ATOM 1027 OG SER A 66 -9.340 -3.243 12.672 1.00 0.00 O ATOM 0 H SER A 66 -10.984 -2.168 10.465 1.00 0.00 H new ATOM 0 HA SER A 66 -10.517 -5.006 11.049 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.304 -2.651 12.821 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.968 -4.274 13.392 1.00 0.00 H new ATOM 0 HG SER A 66 -9.120 -2.884 13.557 1.00 0.00 H new ATOM 1033 N TYR A 67 -13.187 -4.492 10.055 1.00 0.00 N ATOM 1034 CA TYR A 67 -14.597 -4.841 9.919 1.00 0.00 C ATOM 1035 C TYR A 67 -14.855 -5.605 8.625 1.00 0.00 C ATOM 1036 O TYR A 67 -15.661 -6.536 8.595 1.00 0.00 O ATOM 1037 CB TYR A 67 -15.463 -3.579 9.976 1.00 0.00 C ATOM 1038 CG TYR A 67 -16.950 -3.844 9.866 1.00 0.00 C ATOM 1039 CD1 TYR A 67 -17.513 -4.316 8.685 1.00 0.00 C ATOM 1040 CD2 TYR A 67 -17.793 -3.623 10.949 1.00 0.00 C ATOM 1041 CE1 TYR A 67 -18.869 -4.558 8.588 1.00 0.00 C ATOM 1042 CE2 TYR A 67 -19.150 -3.865 10.860 1.00 0.00 C ATOM 1043 CZ TYR A 67 -19.683 -4.332 9.677 1.00 0.00 C ATOM 1044 OH TYR A 67 -21.035 -4.572 9.584 1.00 0.00 O ATOM 0 H TYR A 67 -12.724 -4.253 9.178 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.866 -5.492 10.751 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -15.266 -3.058 10.913 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -15.164 -2.909 9.170 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -16.879 -4.496 7.829 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -17.380 -3.256 11.877 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -19.290 -4.923 7.663 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.790 -3.689 11.712 1.00 0.00 H new ATOM 0 HH TYR A 67 -21.464 -4.363 10.440 1.00 0.00 H new ATOM 1054 N VAL A 68 -14.166 -5.216 7.560 1.00 0.00 N ATOM 1055 CA VAL A 68 -14.322 -5.875 6.272 1.00 0.00 C ATOM 1056 C VAL A 68 -13.641 -7.242 6.272 1.00 0.00 C ATOM 1057 O VAL A 68 -13.732 -7.991 5.297 1.00 0.00 O ATOM 1058 CB VAL A 68 -13.745 -5.019 5.128 1.00 0.00 C ATOM 1059 CG1 VAL A 68 -14.056 -5.650 3.779 1.00 0.00 C ATOM 1060 CG2 VAL A 68 -14.285 -3.598 5.196 1.00 0.00 C ATOM 0 H VAL A 68 -13.495 -4.448 7.564 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.392 -6.006 6.107 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.662 -4.977 5.243 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -13.641 -5.031 2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.615 -6.646 3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -15.136 -5.726 3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -13.865 -3.010 4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.371 -3.617 5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -14.006 -3.148 6.149 1.00 0.00 H new ATOM 1070 N THR A 69 -12.965 -7.570 7.375 1.00 0.00 N ATOM 1071 CA THR A 69 -12.277 -8.849 7.509 1.00 0.00 C ATOM 1072 C THR A 69 -13.202 -9.999 7.169 1.00 0.00 C ATOM 1073 O THR A 69 -12.889 -10.835 6.321 1.00 0.00 O ATOM 1074 CB THR A 69 -11.744 -9.012 8.934 1.00 0.00 C ATOM 1075 OG1 THR A 69 -10.866 -7.949 9.263 1.00 0.00 O ATOM 1076 CG2 THR A 69 -10.994 -10.307 9.152 1.00 0.00 C ATOM 0 H THR A 69 -12.881 -6.962 8.190 1.00 0.00 H new ATOM 0 HA THR A 69 -11.441 -8.862 6.809 1.00 0.00 H new ATOM 0 HB THR A 69 -12.627 -9.012 9.573 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.536 -8.068 10.178 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.645 -10.356 10.183 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.657 -11.149 8.953 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.139 -10.351 8.477 1.00 0.00 H new ATOM 1084 N HIS A 70 -14.336 -10.045 7.846 1.00 0.00 N ATOM 1085 CA HIS A 70 -15.308 -11.109 7.629 1.00 0.00 C ATOM 1086 C HIS A 70 -14.647 -12.488 7.722 1.00 0.00 C ATOM 1087 O HIS A 70 -15.235 -13.487 7.315 1.00 0.00 O ATOM 1088 CB HIS A 70 -15.976 -10.946 6.262 1.00 0.00 C ATOM 1089 CG HIS A 70 -16.698 -9.644 6.102 1.00 0.00 C ATOM 1090 ND1 HIS A 70 -17.364 -9.291 4.947 1.00 0.00 N ATOM 1091 CD2 HIS A 70 -16.859 -8.609 6.958 1.00 0.00 C ATOM 1092 CE1 HIS A 70 -17.901 -8.094 5.100 1.00 0.00 C ATOM 1093 NE2 HIS A 70 -17.611 -7.659 6.311 1.00 0.00 N ATOM 0 H HIS A 70 -14.609 -9.360 8.551 1.00 0.00 H new ATOM 0 HA HIS A 70 -16.064 -11.036 8.410 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -15.218 -11.030 5.483 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -16.680 -11.764 6.111 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -16.469 -8.542 7.963 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -18.479 -7.562 4.359 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -17.899 -6.762 6.703 1.00 0.00 H new ATOM 1102 N GLU A 71 -13.417 -12.525 8.256 1.00 0.00 N ATOM 1103 CA GLU A 71 -12.655 -13.771 8.406 1.00 0.00 C ATOM 1104 C GLU A 71 -11.880 -14.086 7.130 1.00 0.00 C ATOM 1105 O GLU A 71 -11.802 -15.237 6.702 1.00 0.00 O ATOM 1106 CB GLU A 71 -13.565 -14.949 8.775 1.00 0.00 C ATOM 1107 CG GLU A 71 -14.431 -14.690 9.998 1.00 0.00 C ATOM 1108 CD GLU A 71 -15.325 -15.865 10.344 1.00 0.00 C ATOM 1109 OE1 GLU A 71 -15.265 -16.889 9.631 1.00 0.00 O ATOM 1110 OE2 GLU A 71 -16.085 -15.762 11.329 1.00 0.00 O ATOM 0 H GLU A 71 -12.926 -11.697 8.594 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.948 -13.624 9.222 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.209 -15.179 7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.949 -15.830 8.956 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.790 -14.464 10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.048 -13.809 9.821 1.00 0.00 H new ATOM 1117 N THR A 72 -11.308 -13.046 6.534 1.00 0.00 N ATOM 1118 CA THR A 72 -10.533 -13.180 5.309 1.00 0.00 C ATOM 1119 C THR A 72 -9.474 -14.276 5.440 1.00 0.00 C ATOM 1120 O THR A 72 -9.135 -14.936 4.459 1.00 0.00 O ATOM 1121 CB THR A 72 -9.869 -11.840 4.983 1.00 0.00 C ATOM 1122 OG1 THR A 72 -10.833 -10.802 4.952 1.00 0.00 O ATOM 1123 CG2 THR A 72 -9.154 -11.832 3.656 1.00 0.00 C ATOM 0 H THR A 72 -11.369 -12.090 6.886 1.00 0.00 H new ATOM 0 HA THR A 72 -11.206 -13.464 4.500 1.00 0.00 H new ATOM 0 HB THR A 72 -9.135 -11.682 5.773 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.720 -11.173 5.143 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.707 -10.852 3.489 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.372 -12.592 3.659 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.865 -12.047 2.858 1.00 0.00 H new ATOM 1131 N LYS A 73 -8.961 -14.455 6.664 1.00 0.00 N ATOM 1132 CA LYS A 73 -7.936 -15.466 6.969 1.00 0.00 C ATOM 1133 C LYS A 73 -6.528 -14.903 6.788 1.00 0.00 C ATOM 1134 O LYS A 73 -5.593 -15.312 7.477 1.00 0.00 O ATOM 1135 CB LYS A 73 -8.109 -16.730 6.116 1.00 0.00 C ATOM 1136 CG LYS A 73 -9.465 -17.397 6.280 1.00 0.00 C ATOM 1137 CD LYS A 73 -9.691 -17.851 7.714 1.00 0.00 C ATOM 1138 CE LYS A 73 -11.030 -18.556 7.872 1.00 0.00 C ATOM 1139 NZ LYS A 73 -12.171 -17.671 7.511 1.00 0.00 N ATOM 0 H LYS A 73 -9.244 -13.903 7.473 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.070 -15.741 8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.965 -16.472 5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.329 -17.444 6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.252 -16.701 5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.534 -18.254 5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.887 -18.523 8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.652 -16.989 8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.048 -19.446 7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.144 -18.892 8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.918 -17.758 8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.845 -16.684 7.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.548 -17.951 6.583 1.00 0.00 H new ATOM 1153 N HIS A 74 -6.386 -13.960 5.867 1.00 0.00 N ATOM 1154 CA HIS A 74 -5.096 -13.330 5.598 1.00 0.00 C ATOM 1155 C HIS A 74 -5.302 -11.876 5.200 1.00 0.00 C ATOM 1156 O HIS A 74 -6.076 -11.581 4.290 1.00 0.00 O ATOM 1157 CB HIS A 74 -4.349 -14.074 4.487 1.00 0.00 C ATOM 1158 CG HIS A 74 -4.064 -15.510 4.804 1.00 0.00 C ATOM 1159 ND1 HIS A 74 -5.052 -16.464 4.937 1.00 0.00 N ATOM 1160 CD2 HIS A 74 -2.892 -16.154 5.019 1.00 0.00 C ATOM 1161 CE1 HIS A 74 -4.500 -17.630 5.221 1.00 0.00 C ATOM 1162 NE2 HIS A 74 -3.191 -17.470 5.277 1.00 0.00 N ATOM 0 H HIS A 74 -7.151 -13.611 5.290 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.495 -13.374 6.506 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -4.937 -14.024 3.571 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.407 -13.562 4.290 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.906 -15.715 4.993 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.030 -18.557 5.380 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.512 -18.204 5.479 1.00 0.00 H new ATOM 1171 N PHE A 75 -4.621 -10.962 5.885 1.00 0.00 N ATOM 1172 CA PHE A 75 -4.769 -9.544 5.582 1.00 0.00 C ATOM 1173 C PHE A 75 -3.684 -8.699 6.235 1.00 0.00 C ATOM 1174 O PHE A 75 -3.047 -9.113 7.202 1.00 0.00 O ATOM 1175 CB PHE A 75 -6.146 -9.061 6.040 1.00 0.00 C ATOM 1176 CG PHE A 75 -6.413 -9.301 7.499 1.00 0.00 C ATOM 1177 CD1 PHE A 75 -5.692 -8.627 8.473 1.00 0.00 C ATOM 1178 CD2 PHE A 75 -7.383 -10.207 7.897 1.00 0.00 C ATOM 1179 CE1 PHE A 75 -5.935 -8.852 9.815 1.00 0.00 C ATOM 1180 CE2 PHE A 75 -7.629 -10.437 9.238 1.00 0.00 C ATOM 1181 CZ PHE A 75 -6.904 -9.758 10.197 1.00 0.00 C ATOM 0 H PHE A 75 -3.971 -11.174 6.642 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.670 -9.426 4.503 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.235 -7.994 5.834 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.913 -9.565 5.451 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.932 -7.918 8.180 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.954 -10.740 7.151 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.367 -8.320 10.564 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.387 -11.147 9.535 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.095 -9.936 11.245 1.00 0.00 H new ATOM 1191 N ILE A 76 -3.497 -7.499 5.695 1.00 0.00 N ATOM 1192 CA ILE A 76 -2.509 -6.560 6.211 1.00 0.00 C ATOM 1193 C ILE A 76 -3.098 -5.160 6.308 1.00 0.00 C ATOM 1194 O ILE A 76 -4.089 -4.837 5.651 1.00 0.00 O ATOM 1195 CB ILE A 76 -1.239 -6.531 5.336 1.00 0.00 C ATOM 1196 CG1 ILE A 76 -0.247 -5.456 5.797 1.00 0.00 C ATOM 1197 CG2 ILE A 76 -1.600 -6.327 3.873 1.00 0.00 C ATOM 1198 CD1 ILE A 76 0.336 -5.716 7.169 1.00 0.00 C ATOM 0 H ILE A 76 -4.023 -7.152 4.893 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.228 -6.902 7.207 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.749 -7.498 5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.565 -5.389 5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.749 -4.489 5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.690 -6.309 3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.240 -7.144 3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.129 -5.381 3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.028 -4.915 7.428 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.467 -5.753 7.905 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.868 -6.668 7.164 1.00 0.00 H new ATOM 1210 N TYR A 77 -2.479 -4.342 7.138 1.00 0.00 N ATOM 1211 CA TYR A 77 -2.925 -2.968 7.349 1.00 0.00 C ATOM 1212 C TYR A 77 -1.799 -2.127 7.937 1.00 0.00 C ATOM 1213 O TYR A 77 -1.036 -2.598 8.779 1.00 0.00 O ATOM 1214 CB TYR A 77 -4.142 -2.951 8.278 1.00 0.00 C ATOM 1215 CG TYR A 77 -4.756 -1.582 8.472 1.00 0.00 C ATOM 1216 CD1 TYR A 77 -4.055 -0.560 9.103 1.00 0.00 C ATOM 1217 CD2 TYR A 77 -6.043 -1.310 8.023 1.00 0.00 C ATOM 1218 CE1 TYR A 77 -4.617 0.689 9.279 1.00 0.00 C ATOM 1219 CE2 TYR A 77 -6.611 -0.063 8.195 1.00 0.00 C ATOM 1220 CZ TYR A 77 -5.896 0.933 8.824 1.00 0.00 C ATOM 1221 OH TYR A 77 -6.459 2.176 8.998 1.00 0.00 O ATOM 0 H TYR A 77 -1.658 -4.604 7.684 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.208 -2.540 6.388 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.900 -3.623 7.877 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.848 -3.346 9.250 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.054 -0.746 9.462 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.609 -2.087 7.531 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.058 1.471 9.771 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.612 0.131 7.838 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.811 2.771 9.430 1.00 0.00 H new ATOM 1231 N PHE A 78 -1.697 -0.881 7.486 1.00 0.00 N ATOM 1232 CA PHE A 78 -0.653 0.015 7.973 1.00 0.00 C ATOM 1233 C PHE A 78 -1.007 1.479 7.725 1.00 0.00 C ATOM 1234 O PHE A 78 -1.790 1.797 6.831 1.00 0.00 O ATOM 1235 CB PHE A 78 0.683 -0.321 7.303 1.00 0.00 C ATOM 1236 CG PHE A 78 0.637 -0.270 5.801 1.00 0.00 C ATOM 1237 CD1 PHE A 78 0.424 0.929 5.136 1.00 0.00 C ATOM 1238 CD2 PHE A 78 0.805 -1.425 5.053 1.00 0.00 C ATOM 1239 CE1 PHE A 78 0.380 0.974 3.755 1.00 0.00 C ATOM 1240 CE2 PHE A 78 0.763 -1.386 3.672 1.00 0.00 C ATOM 1241 CZ PHE A 78 0.550 -0.184 3.023 1.00 0.00 C ATOM 0 H PHE A 78 -2.319 -0.471 6.789 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.566 -0.130 9.050 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.442 0.376 7.658 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.995 -1.318 7.614 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.291 1.838 5.704 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.971 -2.367 5.555 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.213 1.914 3.250 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.896 -2.293 3.101 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.517 -0.151 1.944 1.00 0.00 H new ATOM 1251 N TYR A 79 -0.408 2.363 8.518 1.00 0.00 N ATOM 1252 CA TYR A 79 -0.641 3.797 8.387 1.00 0.00 C ATOM 1253 C TYR A 79 0.496 4.452 7.613 1.00 0.00 C ATOM 1254 O TYR A 79 1.669 4.158 7.848 1.00 0.00 O ATOM 1255 CB TYR A 79 -0.770 4.447 9.765 1.00 0.00 C ATOM 1256 CG TYR A 79 -1.954 3.957 10.567 1.00 0.00 C ATOM 1257 CD1 TYR A 79 -3.251 4.122 10.098 1.00 0.00 C ATOM 1258 CD2 TYR A 79 -1.774 3.333 11.796 1.00 0.00 C ATOM 1259 CE1 TYR A 79 -4.336 3.680 10.831 1.00 0.00 C ATOM 1260 CE2 TYR A 79 -2.854 2.887 12.534 1.00 0.00 C ATOM 1261 CZ TYR A 79 -4.133 3.063 12.048 1.00 0.00 C ATOM 1262 OH TYR A 79 -5.211 2.620 12.780 1.00 0.00 O ATOM 0 H TYR A 79 0.244 2.110 9.260 1.00 0.00 H new ATOM 0 HA TYR A 79 -1.572 3.942 7.840 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.142 4.259 10.331 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.851 5.527 9.640 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -3.414 4.603 9.145 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.774 3.195 12.180 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.338 3.817 10.453 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.697 2.403 13.487 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.895 2.208 13.611 1.00 0.00 H new ATOM 1272 N LEU A 80 0.144 5.340 6.694 1.00 0.00 N ATOM 1273 CA LEU A 80 1.132 6.040 5.888 1.00 0.00 C ATOM 1274 C LEU A 80 1.062 7.541 6.139 1.00 0.00 C ATOM 1275 O LEU A 80 0.567 8.301 5.305 1.00 0.00 O ATOM 1276 CB LEU A 80 0.918 5.742 4.403 1.00 0.00 C ATOM 1277 CG LEU A 80 1.900 6.431 3.455 1.00 0.00 C ATOM 1278 CD1 LEU A 80 3.327 6.012 3.770 1.00 0.00 C ATOM 1279 CD2 LEU A 80 1.554 6.113 2.008 1.00 0.00 C ATOM 0 H LEU A 80 -0.822 5.593 6.488 1.00 0.00 H new ATOM 0 HA LEU A 80 2.122 5.686 6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.986 4.665 4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.095 6.039 4.131 1.00 0.00 H new ATOM 0 HG LEU A 80 1.821 7.509 3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.012 6.512 3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.570 6.291 4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.423 4.932 3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.263 6.611 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.606 5.036 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.545 6.464 1.790 1.00 0.00 H new ATOM 1291 N GLY A 81 1.555 7.958 7.300 1.00 0.00 N ATOM 1292 CA GLY A 81 1.546 9.368 7.654 1.00 0.00 C ATOM 1293 C GLY A 81 0.219 10.043 7.364 1.00 0.00 C ATOM 1294 O GLY A 81 0.090 10.759 6.372 1.00 0.00 O ATOM 0 H GLY A 81 1.962 7.344 8.005 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.776 9.472 8.714 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.336 9.880 7.104 1.00 0.00 H new ATOM 1298 N GLN A 82 -0.762 9.806 8.236 1.00 0.00 N ATOM 1299 CA GLN A 82 -2.102 10.384 8.101 1.00 0.00 C ATOM 1300 C GLN A 82 -2.997 9.533 7.204 1.00 0.00 C ATOM 1301 O GLN A 82 -4.223 9.601 7.304 1.00 0.00 O ATOM 1302 CB GLN A 82 -2.046 11.818 7.562 1.00 0.00 C ATOM 1303 CG GLN A 82 -1.140 12.737 8.364 1.00 0.00 C ATOM 1304 CD GLN A 82 -1.097 14.146 7.807 1.00 0.00 C ATOM 1305 OE1 GLN A 82 -0.705 14.360 6.660 1.00 0.00 O ATOM 1306 NE2 GLN A 82 -1.502 15.116 8.619 1.00 0.00 N ATOM 0 H GLN A 82 -0.651 9.209 9.055 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.533 10.403 9.102 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.702 11.795 6.528 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.054 12.233 7.553 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.485 12.769 9.397 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.131 12.325 8.377 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.819 14.892 9.562 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.496 16.085 8.299 1.00 0.00 H new ATOM 1315 N VAL A 83 -2.396 8.732 6.327 1.00 0.00 N ATOM 1316 CA VAL A 83 -3.171 7.886 5.432 1.00 0.00 C ATOM 1317 C VAL A 83 -3.324 6.488 6.017 1.00 0.00 C ATOM 1318 O VAL A 83 -2.492 6.040 6.803 1.00 0.00 O ATOM 1319 CB VAL A 83 -2.520 7.773 4.037 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -3.509 7.238 3.014 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -1.952 9.113 3.595 1.00 0.00 C ATOM 0 H VAL A 83 -1.385 8.653 6.220 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.149 8.355 5.323 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.696 7.063 4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.024 7.169 2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.850 6.249 3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.363 7.912 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.498 9.009 2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.753 9.851 3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.197 9.441 4.309 1.00 0.00 H new ATOM 1331 N ALA A 84 -4.387 5.807 5.624 1.00 0.00 N ATOM 1332 CA ALA A 84 -4.648 4.459 6.095 1.00 0.00 C ATOM 1333 C ALA A 84 -4.840 3.518 4.917 1.00 0.00 C ATOM 1334 O ALA A 84 -5.751 3.700 4.111 1.00 0.00 O ATOM 1335 CB ALA A 84 -5.872 4.441 6.998 1.00 0.00 C ATOM 0 H ALA A 84 -5.087 6.169 4.976 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.789 4.119 6.673 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -6.055 3.423 7.343 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.700 5.090 7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -6.739 4.797 6.442 1.00 0.00 H new ATOM 1341 N ILE A 85 -3.983 2.513 4.811 1.00 0.00 N ATOM 1342 CA ILE A 85 -4.078 1.560 3.720 1.00 0.00 C ATOM 1343 C ILE A 85 -4.216 0.143 4.233 1.00 0.00 C ATOM 1344 O ILE A 85 -3.520 -0.272 5.160 1.00 0.00 O ATOM 1345 CB ILE A 85 -2.872 1.661 2.760 1.00 0.00 C ATOM 1346 CG1 ILE A 85 -3.122 2.773 1.749 1.00 0.00 C ATOM 1347 CG2 ILE A 85 -2.616 0.338 2.042 1.00 0.00 C ATOM 1348 CD1 ILE A 85 -2.006 2.942 0.739 1.00 0.00 C ATOM 0 H ILE A 85 -3.219 2.339 5.464 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.978 1.816 3.161 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.983 1.892 3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.052 2.567 1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.261 3.713 2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.761 0.446 1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.408 -0.440 2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.497 0.063 1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.256 3.752 0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.078 3.180 1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.880 2.016 0.177 1.00 0.00 H new ATOM 1360 N LEU A 86 -5.118 -0.594 3.612 1.00 0.00 N ATOM 1361 CA LEU A 86 -5.354 -1.977 3.990 1.00 0.00 C ATOM 1362 C LEU A 86 -5.273 -2.888 2.776 1.00 0.00 C ATOM 1363 O LEU A 86 -5.204 -2.422 1.640 1.00 0.00 O ATOM 1364 CB LEU A 86 -6.711 -2.139 4.679 1.00 0.00 C ATOM 1365 CG LEU A 86 -7.914 -1.629 3.886 1.00 0.00 C ATOM 1366 CD1 LEU A 86 -9.208 -2.133 4.506 1.00 0.00 C ATOM 1367 CD2 LEU A 86 -7.909 -0.109 3.839 1.00 0.00 C ATOM 0 H LEU A 86 -5.700 -0.259 2.844 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.575 -2.263 4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.864 -3.196 4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.679 -1.616 5.635 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.845 -2.010 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.056 -1.762 3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.214 -3.223 4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.282 -1.776 5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.771 0.240 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.958 0.287 4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.994 0.237 3.359 1.00 0.00 H new ATOM 1379 N LEU A 87 -5.277 -4.189 3.033 1.00 0.00 N ATOM 1380 CA LEU A 87 -5.202 -5.190 1.979 1.00 0.00 C ATOM 1381 C LEU A 87 -5.583 -6.550 2.538 1.00 0.00 C ATOM 1382 O LEU A 87 -5.176 -6.910 3.638 1.00 0.00 O ATOM 1383 CB LEU A 87 -3.794 -5.219 1.374 1.00 0.00 C ATOM 1384 CG LEU A 87 -3.535 -6.331 0.353 1.00 0.00 C ATOM 1385 CD1 LEU A 87 -2.337 -5.982 -0.516 1.00 0.00 C ATOM 1386 CD2 LEU A 87 -3.296 -7.658 1.058 1.00 0.00 C ATOM 0 H LEU A 87 -5.332 -4.578 3.974 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.903 -4.932 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.604 -4.259 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.072 -5.319 2.184 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.416 -6.426 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.165 -6.781 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.532 -5.050 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.454 -5.864 0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.114 -8.436 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.429 -7.571 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.173 -7.919 1.650 1.00 0.00 H new ATOM 1398 N PHE A 88 -6.380 -7.300 1.790 1.00 0.00 N ATOM 1399 CA PHE A 88 -6.815 -8.610 2.248 1.00 0.00 C ATOM 1400 C PHE A 88 -7.500 -9.394 1.130 1.00 0.00 C ATOM 1401 O PHE A 88 -8.191 -8.819 0.291 1.00 0.00 O ATOM 1402 CB PHE A 88 -7.782 -8.453 3.420 1.00 0.00 C ATOM 1403 CG PHE A 88 -9.015 -7.669 3.074 1.00 0.00 C ATOM 1404 CD1 PHE A 88 -8.926 -6.328 2.735 1.00 0.00 C ATOM 1405 CD2 PHE A 88 -10.260 -8.274 3.078 1.00 0.00 C ATOM 1406 CE1 PHE A 88 -10.058 -5.605 2.409 1.00 0.00 C ATOM 1407 CE2 PHE A 88 -11.395 -7.556 2.754 1.00 0.00 C ATOM 1408 CZ PHE A 88 -11.293 -6.220 2.419 1.00 0.00 C ATOM 0 H PHE A 88 -6.735 -7.027 0.873 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.931 -9.164 2.564 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.076 -9.441 3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.266 -7.960 4.244 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.961 -5.843 2.725 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.345 -9.319 3.337 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.976 -4.561 2.147 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.361 -8.039 2.763 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.179 -5.657 2.165 1.00 0.00 H new ATOM 1418 N LYS A 89 -7.319 -10.711 1.140 1.00 0.00 N ATOM 1419 CA LYS A 89 -7.939 -11.576 0.142 1.00 0.00 C ATOM 1420 C LYS A 89 -8.788 -12.638 0.826 1.00 0.00 C ATOM 1421 O LYS A 89 -8.264 -13.553 1.462 1.00 0.00 O ATOM 1422 CB LYS A 89 -6.878 -12.226 -0.750 1.00 0.00 C ATOM 1423 CG LYS A 89 -7.452 -13.191 -1.777 1.00 0.00 C ATOM 1424 CD LYS A 89 -7.308 -14.637 -1.333 1.00 0.00 C ATOM 1425 CE LYS A 89 -5.856 -15.078 -1.353 1.00 0.00 C ATOM 1426 NZ LYS A 89 -5.696 -16.490 -0.912 1.00 0.00 N ATOM 0 H LYS A 89 -6.748 -11.202 1.828 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.584 -10.967 -0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.323 -11.444 -1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.165 -12.759 -0.122 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.505 -12.964 -1.940 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.944 -13.051 -2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.712 -14.753 -0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.895 -15.281 -1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.457 -14.966 -2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.270 -14.427 -0.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.947 -16.946 -1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.437 -16.512 0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.591 -17.001 -1.050 1.00 0.00 H new ATOM 1440 N SER A 90 -10.106 -12.503 0.697 1.00 0.00 N ATOM 1441 CA SER A 90 -11.041 -13.443 1.312 1.00 0.00 C ATOM 1442 C SER A 90 -11.345 -14.614 0.389 1.00 0.00 C ATOM 1443 O SER A 90 -12.392 -15.252 0.495 1.00 0.00 O ATOM 1444 CB SER A 90 -12.338 -12.729 1.678 1.00 0.00 C ATOM 1445 OG SER A 90 -12.945 -12.154 0.535 1.00 0.00 O ATOM 0 H SER A 90 -10.551 -11.751 0.171 1.00 0.00 H new ATOM 0 HA SER A 90 -10.571 -13.835 2.214 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.026 -13.435 2.143 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.133 -11.952 2.414 1.00 0.00 H new ATOM 0 HG SER A 90 -13.775 -11.704 0.797 1.00 0.00 H new ATOM 1451 N GLY A 91 -10.419 -14.888 -0.511 1.00 0.00 N ATOM 1452 CA GLY A 91 -10.590 -15.980 -1.450 1.00 0.00 C ATOM 1453 C GLY A 91 -10.241 -17.325 -0.843 1.00 0.00 C ATOM 1454 O GLY A 91 -10.903 -17.723 0.138 1.00 0.00 O ATOM 1455 OXT GLY A 91 -9.306 -17.980 -1.350 1.00 0.00 O ATOM 0 H GLY A 91 -9.545 -14.372 -0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.623 -15.998 -1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.963 -15.805 -2.324 1.00 0.00 H new