USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 754 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 25 THR OG1 : rot -66:sc= 0.442 USER MOD Set 1.2: A 37 THR OG1 : rot -170:sc= 1.01 USER MOD Set 2.1: A 19 HIS : no HE2:sc= -4.92! C(o=-8.5!,f=-11!) USER MOD Set 2.2: A 24 SER OG : rot 150:sc= -3.58! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : A 17 GLN : amide:sc= -0.0514 K(o=-0.051,f=-1.9) USER MOD Single : A 18 LYS NZ :NH3+ -136:sc= -0.503 (180deg=-1.37!) USER MOD Single : A 20 ASN :FLIP amide:sc= -5.27! C(o=-6.3!,f=-5.3!) USER MOD Single : A 21 ASN : amide:sc= -0.0763 X(o=-0.076,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.359 X(o=-0.36,f=-0.79) USER MOD Single : A 31 TYR OH : rot -84:sc= 1.27 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 12:sc= 0.00113 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -11.9! C(o=-12!,f=-13!) USER MOD Single : A 53 GLN : amide:sc= -2.66! C(o=-2.7!,f=-6!) USER MOD Single : A 59 THR OG1 : rot -20:sc= 0.741 USER MOD Single : A 61 ASN : amide:sc=-4.92e-05 X(o=-4.9e-05,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -4.11! K(o=-4.1!,f=-8.3) USER MOD Single : A 68 SER OG : rot 180:sc= 0.048 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0388 USER MOD Single : A 75 SER OG : rot -102:sc= 1.36 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -38:sc= 0.0098 USER MOD Single : A 84 HIS : no HD1:sc= -15.4! C(o=-15!,f=-17!) USER MOD Single : A 89 SER OG : rot -12:sc= 0.428 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.103 USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 8 12.638 -2.605 -23.181 1.00 0.00 N ATOM 96 CA VAL A 8 12.431 -3.310 -21.927 1.00 0.00 C ATOM 97 C VAL A 8 11.978 -4.742 -22.219 1.00 0.00 C ATOM 98 O VAL A 8 12.728 -5.690 -22.002 1.00 0.00 O ATOM 99 CB VAL A 8 11.444 -2.537 -21.050 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.509 -1.676 -21.903 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.648 -3.487 -20.152 1.00 0.00 C ATOM 0 HA VAL A 8 13.363 -3.374 -21.366 1.00 0.00 H new ATOM 0 HB VAL A 8 12.019 -1.870 -20.407 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.818 -1.137 -21.255 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.097 -0.962 -22.480 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.945 -2.315 -22.583 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.954 -2.912 -19.539 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.090 -4.190 -20.770 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.333 -4.037 -19.506 1.00 0.00 H new ATOM 111 N LYS A 9 10.751 -4.851 -22.708 1.00 0.00 N ATOM 112 CA LYS A 9 10.188 -6.151 -23.032 1.00 0.00 C ATOM 113 C LYS A 9 9.714 -6.831 -21.747 1.00 0.00 C ATOM 114 O LYS A 9 8.572 -7.283 -21.664 1.00 0.00 O ATOM 115 CB LYS A 9 11.190 -6.982 -23.836 1.00 0.00 C ATOM 116 CG LYS A 9 10.529 -7.591 -25.074 1.00 0.00 C ATOM 117 CD LYS A 9 11.512 -8.479 -25.840 1.00 0.00 C ATOM 118 CE LYS A 9 11.342 -8.311 -27.350 1.00 0.00 C ATOM 119 NZ LYS A 9 11.518 -9.609 -28.039 1.00 0.00 N ATOM 0 H LYS A 9 10.131 -4.061 -22.888 1.00 0.00 H new ATOM 0 HA LYS A 9 9.314 -6.040 -23.674 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.028 -6.354 -24.139 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.596 -7.776 -23.209 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.660 -8.178 -24.775 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.168 -6.796 -25.726 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.533 -8.226 -25.555 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.354 -9.522 -25.567 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.353 -7.908 -27.568 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.069 -7.591 -27.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.399 -9.477 -29.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.471 -9.978 -27.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.808 -10.285 -27.693 1.00 0.00 H new ATOM 133 N TYR A 10 10.614 -6.885 -20.776 1.00 0.00 N ATOM 134 CA TYR A 10 10.302 -7.503 -19.499 1.00 0.00 C ATOM 135 C TYR A 10 10.810 -6.648 -18.337 1.00 0.00 C ATOM 136 O TYR A 10 12.011 -6.405 -18.221 1.00 0.00 O ATOM 137 CB TYR A 10 11.036 -8.845 -19.489 1.00 0.00 C ATOM 138 CG TYR A 10 12.095 -8.982 -20.585 1.00 0.00 C ATOM 139 CD1 TYR A 10 13.334 -8.397 -20.426 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.810 -9.694 -21.734 1.00 0.00 C ATOM 141 CE1 TYR A 10 14.330 -8.526 -21.457 1.00 0.00 C ATOM 142 CE2 TYR A 10 12.806 -9.823 -22.765 1.00 0.00 C ATOM 143 CZ TYR A 10 14.018 -9.234 -22.576 1.00 0.00 C ATOM 144 OH TYR A 10 14.958 -9.356 -23.550 1.00 0.00 O ATOM 0 H TYR A 10 11.560 -6.510 -20.848 1.00 0.00 H new ATOM 0 HA TYR A 10 9.224 -7.615 -19.381 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.513 -8.980 -18.518 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.307 -9.647 -19.600 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.557 -7.842 -19.527 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.841 -10.153 -21.859 1.00 0.00 H new ATOM 0 HE1 TYR A 10 15.303 -8.071 -21.345 1.00 0.00 H new ATOM 0 HE2 TYR A 10 12.596 -10.375 -23.669 1.00 0.00 H new ATOM 0 HH TYR A 10 14.596 -9.888 -24.289 1.00 0.00 H new ATOM 154 N TYR A 11 9.873 -6.216 -17.506 1.00 0.00 N ATOM 155 CA TYR A 11 10.211 -5.394 -16.358 1.00 0.00 C ATOM 156 C TYR A 11 9.689 -6.019 -15.062 1.00 0.00 C ATOM 157 O TYR A 11 8.840 -6.908 -15.097 1.00 0.00 O ATOM 158 CB TYR A 11 9.513 -4.050 -16.580 1.00 0.00 C ATOM 159 CG TYR A 11 10.456 -2.922 -17.003 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.670 -3.219 -17.588 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.091 -1.607 -16.800 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.557 -2.157 -17.987 1.00 0.00 C ATOM 163 CE2 TYR A 11 10.978 -0.544 -17.197 1.00 0.00 C ATOM 164 CZ TYR A 11 12.167 -0.871 -17.772 1.00 0.00 C ATOM 165 OH TYR A 11 13.005 0.132 -18.147 1.00 0.00 O ATOM 0 H TYR A 11 8.879 -6.420 -17.606 1.00 0.00 H new ATOM 0 HA TYR A 11 11.292 -5.293 -16.265 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.745 -4.173 -17.343 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.005 -3.760 -15.660 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.955 -4.249 -17.747 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.140 -1.375 -16.343 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.510 -2.376 -18.446 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.705 0.489 -17.042 1.00 0.00 H new ATOM 0 HH TYR A 11 12.596 0.997 -17.934 1.00 0.00 H new ATOM 175 N THR A 12 10.218 -5.530 -13.951 1.00 0.00 N ATOM 176 CA THR A 12 9.815 -6.029 -12.648 1.00 0.00 C ATOM 177 C THR A 12 8.927 -5.005 -11.936 1.00 0.00 C ATOM 178 O THR A 12 9.002 -3.811 -12.217 1.00 0.00 O ATOM 179 CB THR A 12 11.082 -6.381 -11.864 1.00 0.00 C ATOM 180 OG1 THR A 12 11.764 -5.138 -11.729 1.00 0.00 O ATOM 181 CG2 THR A 12 12.047 -7.250 -12.675 1.00 0.00 C ATOM 0 H THR A 12 10.923 -4.793 -13.926 1.00 0.00 H new ATOM 0 HA THR A 12 9.210 -6.931 -12.740 1.00 0.00 H new ATOM 0 HB THR A 12 10.809 -6.900 -10.945 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.597 -5.274 -11.231 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.929 -7.472 -12.075 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.553 -8.181 -12.952 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.347 -6.716 -13.577 1.00 0.00 H new ATOM 189 N LEU A 13 8.106 -5.513 -11.028 1.00 0.00 N ATOM 190 CA LEU A 13 7.204 -4.660 -10.274 1.00 0.00 C ATOM 191 C LEU A 13 7.960 -3.414 -9.806 1.00 0.00 C ATOM 192 O LEU A 13 7.415 -2.311 -9.821 1.00 0.00 O ATOM 193 CB LEU A 13 6.549 -5.445 -9.136 1.00 0.00 C ATOM 194 CG LEU A 13 5.119 -5.929 -9.392 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.517 -6.549 -8.130 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.249 -4.800 -9.948 1.00 0.00 C ATOM 0 H LEU A 13 8.047 -6.505 -10.798 1.00 0.00 H new ATOM 0 HA LEU A 13 6.385 -4.318 -10.907 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.171 -6.312 -8.914 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.545 -4.819 -8.244 1.00 0.00 H new ATOM 0 HG LEU A 13 5.153 -6.711 -10.150 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.501 -6.885 -8.339 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.123 -7.399 -7.818 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.497 -5.805 -7.333 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.239 -5.171 -10.121 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.217 -3.979 -9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.671 -4.445 -10.888 1.00 0.00 H new ATOM 208 N GLU A 14 9.202 -3.632 -9.402 1.00 0.00 N ATOM 209 CA GLU A 14 10.038 -2.540 -8.931 1.00 0.00 C ATOM 210 C GLU A 14 10.401 -1.611 -10.091 1.00 0.00 C ATOM 211 O GLU A 14 10.279 -0.393 -9.977 1.00 0.00 O ATOM 212 CB GLU A 14 11.296 -3.073 -8.240 1.00 0.00 C ATOM 213 CG GLU A 14 11.447 -2.471 -6.841 1.00 0.00 C ATOM 214 CD GLU A 14 10.588 -3.224 -5.824 1.00 0.00 C ATOM 215 OE1 GLU A 14 10.749 -4.460 -5.750 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.790 -2.544 -5.143 1.00 0.00 O ATOM 0 H GLU A 14 9.650 -4.548 -9.391 1.00 0.00 H new ATOM 0 HA GLU A 14 9.474 -1.966 -8.196 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.244 -4.159 -8.169 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.174 -2.834 -8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.493 -2.508 -6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.157 -1.420 -6.860 1.00 0.00 H new ATOM 223 N GLU A 15 10.843 -2.222 -11.181 1.00 0.00 N ATOM 224 CA GLU A 15 11.223 -1.465 -12.360 1.00 0.00 C ATOM 225 C GLU A 15 10.108 -0.492 -12.752 1.00 0.00 C ATOM 226 O GLU A 15 10.379 0.630 -13.177 1.00 0.00 O ATOM 227 CB GLU A 15 11.570 -2.397 -13.522 1.00 0.00 C ATOM 228 CG GLU A 15 12.364 -1.659 -14.602 1.00 0.00 C ATOM 229 CD GLU A 15 13.655 -1.071 -14.027 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.622 -1.850 -13.892 1.00 0.00 O ATOM 231 OE2 GLU A 15 13.645 0.145 -13.735 1.00 0.00 O ATOM 0 H GLU A 15 10.946 -3.233 -11.271 1.00 0.00 H new ATOM 0 HA GLU A 15 12.115 -0.886 -12.122 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.151 -3.242 -13.153 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.655 -2.803 -13.953 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.603 -2.344 -15.415 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.754 -0.861 -15.026 1.00 0.00 H new ATOM 238 N ILE A 16 8.879 -0.958 -12.593 1.00 0.00 N ATOM 239 CA ILE A 16 7.721 -0.144 -12.924 1.00 0.00 C ATOM 240 C ILE A 16 7.434 0.818 -11.771 1.00 0.00 C ATOM 241 O ILE A 16 6.998 1.947 -11.994 1.00 0.00 O ATOM 242 CB ILE A 16 6.531 -1.032 -13.295 1.00 0.00 C ATOM 243 CG1 ILE A 16 6.962 -2.163 -14.231 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.392 -0.201 -13.889 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.434 -3.511 -13.740 1.00 0.00 C ATOM 0 H ILE A 16 8.659 -1.889 -12.239 1.00 0.00 H new ATOM 0 HA ILE A 16 7.922 0.465 -13.805 1.00 0.00 H new ATOM 0 HB ILE A 16 6.152 -1.494 -12.383 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.592 -1.968 -15.237 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.050 -2.195 -14.292 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.559 -0.856 -14.144 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.062 0.539 -13.159 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.742 0.307 -14.787 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.754 -4.298 -14.423 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.826 -3.714 -12.743 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.345 -3.484 -13.703 1.00 0.00 H new ATOM 257 N GLN A 17 7.689 0.338 -10.562 1.00 0.00 N ATOM 258 CA GLN A 17 7.464 1.142 -9.373 1.00 0.00 C ATOM 259 C GLN A 17 8.388 2.362 -9.374 1.00 0.00 C ATOM 260 O GLN A 17 7.998 3.441 -8.934 1.00 0.00 O ATOM 261 CB GLN A 17 7.654 0.310 -8.105 1.00 0.00 C ATOM 262 CG GLN A 17 6.659 0.726 -7.021 1.00 0.00 C ATOM 263 CD GLN A 17 7.357 1.509 -5.906 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.332 2.210 -6.122 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.807 1.348 -4.706 1.00 0.00 N ATOM 0 H GLN A 17 8.050 -0.599 -10.381 1.00 0.00 H new ATOM 0 HA GLN A 17 6.432 1.493 -9.385 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.524 -0.747 -8.337 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.672 0.432 -7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.871 1.337 -7.461 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.180 -0.159 -6.603 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.991 0.746 -4.596 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.201 1.827 -3.896 1.00 0.00 H new ATOM 274 N LYS A 18 9.596 2.147 -9.873 1.00 0.00 N ATOM 275 CA LYS A 18 10.580 3.215 -9.937 1.00 0.00 C ATOM 276 C LYS A 18 10.102 4.284 -10.920 1.00 0.00 C ATOM 277 O LYS A 18 10.391 5.468 -10.746 1.00 0.00 O ATOM 278 CB LYS A 18 11.964 2.651 -10.266 1.00 0.00 C ATOM 279 CG LYS A 18 12.370 1.572 -9.260 1.00 0.00 C ATOM 280 CD LYS A 18 13.127 2.182 -8.078 1.00 0.00 C ATOM 281 CE LYS A 18 14.413 2.868 -8.547 1.00 0.00 C ATOM 282 NZ LYS A 18 14.239 4.337 -8.568 1.00 0.00 N ATOM 0 H LYS A 18 9.916 1.249 -10.237 1.00 0.00 H new ATOM 0 HA LYS A 18 10.682 3.698 -8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.960 2.232 -11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.700 3.455 -10.259 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.482 1.053 -8.899 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.996 0.828 -9.752 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.490 2.904 -7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.369 1.403 -7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.236 2.603 -7.884 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.679 2.513 -9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.645 4.722 -9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.226 4.567 -8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.724 4.756 -7.749 1.00 0.00 H new ATOM 296 N HIS A 19 9.379 3.831 -11.933 1.00 0.00 N ATOM 297 CA HIS A 19 8.858 4.734 -12.944 1.00 0.00 C ATOM 298 C HIS A 19 7.418 5.118 -12.597 1.00 0.00 C ATOM 299 O HIS A 19 6.476 4.436 -12.999 1.00 0.00 O ATOM 300 CB HIS A 19 8.988 4.121 -14.340 1.00 0.00 C ATOM 301 CG HIS A 19 10.355 4.284 -14.958 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.544 4.527 -16.309 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.598 4.240 -14.398 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.845 4.620 -16.539 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.497 4.443 -15.354 1.00 0.00 N ATOM 0 H HIS A 19 9.142 2.849 -12.075 1.00 0.00 H new ATOM 0 HA HIS A 19 9.449 5.650 -12.957 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.751 3.059 -14.282 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.247 4.578 -14.996 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.807 4.619 -17.008 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.814 4.069 -13.354 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.308 4.804 -17.497 1.00 0.00 H new ATOM 314 N ASN A 20 7.293 6.208 -11.856 1.00 0.00 N ATOM 315 CA ASN A 20 5.985 6.692 -11.450 1.00 0.00 C ATOM 316 C ASN A 20 5.961 8.219 -11.534 1.00 0.00 C ATOM 317 O ASN A 20 5.073 8.862 -10.975 1.00 0.00 O ATOM 318 CB ASN A 20 5.674 6.294 -10.006 1.00 0.00 C ATOM 319 CG ASN A 20 4.634 7.231 -9.390 1.00 0.00 C ATOM 320 OD1 ASN A 20 3.484 7.278 -10.056 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 4.861 7.871 -8.375 1.00 0.00 N flip ATOM 0 H ASN A 20 8.077 6.771 -11.526 1.00 0.00 H new ATOM 0 HA ASN A 20 5.242 6.251 -12.114 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.306 5.268 -9.979 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.588 6.320 -9.413 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.766 7.789 -7.912 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.145 8.488 -7.990 1.00 0.00 H new ATOM 328 N ASN A 21 6.947 8.758 -12.237 1.00 0.00 N ATOM 329 CA ASN A 21 7.052 10.197 -12.399 1.00 0.00 C ATOM 330 C ASN A 21 6.617 10.578 -13.816 1.00 0.00 C ATOM 331 O ASN A 21 6.635 9.743 -14.721 1.00 0.00 O ATOM 332 CB ASN A 21 8.492 10.672 -12.203 1.00 0.00 C ATOM 333 CG ASN A 21 8.904 10.579 -10.733 1.00 0.00 C ATOM 334 OD1 ASN A 21 8.953 11.561 -10.012 1.00 0.00 O ATOM 335 ND2 ASN A 21 9.199 9.346 -10.331 1.00 0.00 N ATOM 0 H ASN A 21 7.681 8.222 -12.701 1.00 0.00 H new ATOM 0 HA ASN A 21 6.414 10.667 -11.651 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.164 10.067 -12.812 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.589 11.702 -12.547 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.487 9.179 -9.367 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.137 8.567 -10.987 1.00 0.00 H new ATOM 342 N SER A 22 6.237 11.838 -13.967 1.00 0.00 N ATOM 343 CA SER A 22 5.799 12.339 -15.259 1.00 0.00 C ATOM 344 C SER A 22 6.925 12.192 -16.286 1.00 0.00 C ATOM 345 O SER A 22 6.689 12.293 -17.488 1.00 0.00 O ATOM 346 CB SER A 22 5.357 13.801 -15.162 1.00 0.00 C ATOM 347 OG SER A 22 6.411 14.649 -14.716 1.00 0.00 O ATOM 0 H SER A 22 6.223 12.528 -13.216 1.00 0.00 H new ATOM 0 HA SER A 22 4.941 11.749 -15.582 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.008 14.139 -16.137 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.513 13.880 -14.476 1.00 0.00 H new ATOM 0 HG SER A 22 6.089 15.574 -14.669 1.00 0.00 H new ATOM 353 N LYS A 23 8.124 11.958 -15.772 1.00 0.00 N ATOM 354 CA LYS A 23 9.285 11.796 -16.631 1.00 0.00 C ATOM 355 C LYS A 23 9.487 10.311 -16.935 1.00 0.00 C ATOM 356 O LYS A 23 10.152 9.958 -17.908 1.00 0.00 O ATOM 357 CB LYS A 23 10.510 12.467 -16.004 1.00 0.00 C ATOM 358 CG LYS A 23 11.017 13.612 -16.882 1.00 0.00 C ATOM 359 CD LYS A 23 12.344 14.161 -16.355 1.00 0.00 C ATOM 360 CE LYS A 23 13.040 15.021 -17.413 1.00 0.00 C ATOM 361 NZ LYS A 23 14.510 14.957 -17.248 1.00 0.00 N ATOM 0 H LYS A 23 8.316 11.877 -14.774 1.00 0.00 H new ATOM 0 HA LYS A 23 9.126 12.298 -17.586 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.254 12.848 -15.015 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.302 11.731 -15.867 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.146 13.260 -17.906 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.275 14.410 -16.910 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.166 14.755 -15.458 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.995 13.335 -16.067 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.765 14.676 -18.410 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.703 16.054 -17.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.967 15.546 -17.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.769 15.308 -16.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.828 13.972 -17.351 1.00 0.00 H new ATOM 375 N SER A 24 8.898 9.480 -16.087 1.00 0.00 N ATOM 376 CA SER A 24 9.004 8.040 -16.254 1.00 0.00 C ATOM 377 C SER A 24 7.743 7.357 -15.722 1.00 0.00 C ATOM 378 O SER A 24 7.786 6.674 -14.701 1.00 0.00 O ATOM 379 CB SER A 24 10.243 7.493 -15.543 1.00 0.00 C ATOM 380 OG SER A 24 11.257 7.100 -16.464 1.00 0.00 O ATOM 0 H SER A 24 8.346 9.776 -15.282 1.00 0.00 H new ATOM 0 HA SER A 24 9.104 7.826 -17.318 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.640 8.253 -14.870 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.961 6.638 -14.928 1.00 0.00 H new ATOM 0 HG SER A 24 12.138 7.217 -16.050 1.00 0.00 H new ATOM 386 N THR A 25 6.649 7.568 -16.439 1.00 0.00 N ATOM 387 CA THR A 25 5.377 6.980 -16.053 1.00 0.00 C ATOM 388 C THR A 25 5.216 5.595 -16.681 1.00 0.00 C ATOM 389 O THR A 25 4.912 5.480 -17.868 1.00 0.00 O ATOM 390 CB THR A 25 4.267 7.958 -16.443 1.00 0.00 C ATOM 391 OG1 THR A 25 4.906 9.231 -16.435 1.00 0.00 O ATOM 392 CG2 THR A 25 3.185 8.077 -15.367 1.00 0.00 C ATOM 0 H THR A 25 6.617 8.138 -17.285 1.00 0.00 H new ATOM 0 HA THR A 25 5.326 6.820 -14.976 1.00 0.00 H new ATOM 0 HB THR A 25 3.813 7.635 -17.380 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.173 9.457 -15.520 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.422 8.783 -15.695 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.729 7.101 -15.201 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.633 8.431 -14.438 1.00 0.00 H new ATOM 400 N TRP A 26 5.425 4.579 -15.858 1.00 0.00 N ATOM 401 CA TRP A 26 5.307 3.205 -16.319 1.00 0.00 C ATOM 402 C TRP A 26 4.252 2.508 -15.458 1.00 0.00 C ATOM 403 O TRP A 26 4.146 2.773 -14.262 1.00 0.00 O ATOM 404 CB TRP A 26 6.664 2.499 -16.291 1.00 0.00 C ATOM 405 CG TRP A 26 7.375 2.462 -17.646 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.666 1.392 -18.396 1.00 0.00 C ATOM 407 CD2 TRP A 26 7.872 3.597 -18.386 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.315 1.750 -19.560 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.443 3.134 -19.553 1.00 0.00 C ATOM 410 CE3 TRP A 26 7.841 4.968 -18.079 1.00 0.00 C ATOM 411 CZ2 TRP A 26 9.027 3.977 -20.508 1.00 0.00 C ATOM 412 CZ3 TRP A 26 8.429 5.797 -19.043 1.00 0.00 C ATOM 413 CH2 TRP A 26 9.008 5.347 -20.224 1.00 0.00 C ATOM 0 H TRP A 26 5.675 4.679 -14.874 1.00 0.00 H new ATOM 0 HA TRP A 26 4.984 3.173 -17.360 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.308 3.000 -15.568 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.523 1.477 -15.938 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.423 0.375 -18.124 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.640 1.116 -20.290 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.399 5.352 -17.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.468 3.590 -21.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.433 6.861 -18.856 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.441 6.051 -20.919 1.00 0.00 H new ATOM 424 N LEU A 27 3.498 1.628 -16.100 1.00 0.00 N ATOM 425 CA LEU A 27 2.455 0.889 -15.409 1.00 0.00 C ATOM 426 C LEU A 27 2.269 -0.472 -16.080 1.00 0.00 C ATOM 427 O LEU A 27 2.770 -0.698 -17.181 1.00 0.00 O ATOM 428 CB LEU A 27 1.171 1.718 -15.334 1.00 0.00 C ATOM 429 CG LEU A 27 0.241 1.627 -16.546 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.039 1.648 -17.851 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.667 0.400 -16.449 1.00 0.00 C ATOM 0 H LEU A 27 3.589 1.410 -17.092 1.00 0.00 H new ATOM 0 HA LEU A 27 2.745 0.698 -14.376 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.614 1.409 -14.450 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.445 2.763 -15.189 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.404 2.505 -16.549 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.355 1.582 -18.697 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.607 2.576 -17.915 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.724 0.801 -17.872 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.318 0.359 -17.322 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.057 -0.502 -16.409 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.275 0.468 -15.547 1.00 0.00 H new ATOM 443 N ILE A 28 1.547 -1.343 -15.391 1.00 0.00 N ATOM 444 CA ILE A 28 1.289 -2.677 -15.907 1.00 0.00 C ATOM 445 C ILE A 28 -0.219 -2.863 -16.096 1.00 0.00 C ATOM 446 O ILE A 28 -0.999 -2.600 -15.183 1.00 0.00 O ATOM 447 CB ILE A 28 1.931 -3.734 -15.007 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.153 -3.166 -14.282 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.270 -4.998 -15.801 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.314 -3.804 -12.901 1.00 0.00 C ATOM 0 H ILE A 28 1.132 -1.151 -14.479 1.00 0.00 H new ATOM 0 HA ILE A 28 1.752 -2.803 -16.886 1.00 0.00 H new ATOM 0 HB ILE A 28 1.207 -4.019 -14.243 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.049 -3.345 -14.876 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.050 -2.086 -14.178 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.725 -5.733 -15.138 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.358 -5.413 -16.231 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.968 -4.749 -16.600 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.189 -3.384 -12.406 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.426 -3.603 -12.301 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.441 -4.881 -13.010 1.00 0.00 H new ATOM 462 N LEU A 29 -0.582 -3.314 -17.287 1.00 0.00 N ATOM 463 CA LEU A 29 -1.981 -3.538 -17.607 1.00 0.00 C ATOM 464 C LEU A 29 -2.175 -4.993 -18.043 1.00 0.00 C ATOM 465 O LEU A 29 -1.492 -5.468 -18.950 1.00 0.00 O ATOM 466 CB LEU A 29 -2.466 -2.517 -18.638 1.00 0.00 C ATOM 467 CG LEU A 29 -3.628 -1.624 -18.202 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.503 -1.240 -19.398 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.441 -2.285 -17.088 1.00 0.00 C ATOM 0 H LEU A 29 0.068 -3.530 -18.042 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.602 -3.384 -16.724 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.626 -1.879 -18.911 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.764 -3.053 -19.539 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.214 -0.701 -17.795 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.322 -0.605 -19.061 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.902 -0.700 -20.130 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.908 -2.142 -19.857 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.261 -1.628 -16.797 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.844 -3.233 -17.445 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.798 -2.466 -16.227 1.00 0.00 H new ATOM 481 N HIS A 30 -3.106 -5.658 -17.378 1.00 0.00 N ATOM 482 CA HIS A 30 -3.397 -7.048 -17.686 1.00 0.00 C ATOM 483 C HIS A 30 -2.198 -7.920 -17.306 1.00 0.00 C ATOM 484 O HIS A 30 -2.317 -8.814 -16.471 1.00 0.00 O ATOM 485 CB HIS A 30 -3.804 -7.206 -19.152 1.00 0.00 C ATOM 486 CG HIS A 30 -3.601 -8.599 -19.699 1.00 0.00 C ATOM 487 ND1 HIS A 30 -2.614 -8.904 -20.621 1.00 0.00 N ATOM 488 CD2 HIS A 30 -4.266 -9.762 -19.447 1.00 0.00 C ATOM 489 CE1 HIS A 30 -2.691 -10.197 -20.902 1.00 0.00 C ATOM 490 NE2 HIS A 30 -3.717 -10.726 -20.174 1.00 0.00 N ATOM 0 H HIS A 30 -3.670 -5.261 -16.626 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.249 -7.384 -17.095 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.854 -6.935 -19.258 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.230 -6.503 -19.756 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.099 -9.879 -18.770 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.054 -10.737 -21.587 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -4.013 -11.702 -20.187 1.00 0.00 H new ATOM 499 N TYR A 31 -1.072 -7.627 -17.940 1.00 0.00 N ATOM 500 CA TYR A 31 0.148 -8.373 -17.679 1.00 0.00 C ATOM 501 C TYR A 31 1.331 -7.774 -18.443 1.00 0.00 C ATOM 502 O TYR A 31 2.451 -8.272 -18.347 1.00 0.00 O ATOM 503 CB TYR A 31 -0.108 -9.793 -18.191 1.00 0.00 C ATOM 504 CG TYR A 31 1.040 -10.370 -19.023 1.00 0.00 C ATOM 505 CD1 TYR A 31 2.174 -10.843 -18.397 1.00 0.00 C ATOM 506 CD2 TYR A 31 0.938 -10.418 -20.398 1.00 0.00 C ATOM 507 CE1 TYR A 31 3.253 -11.387 -19.180 1.00 0.00 C ATOM 508 CE2 TYR A 31 2.017 -10.962 -21.181 1.00 0.00 C ATOM 509 CZ TYR A 31 3.122 -11.420 -20.533 1.00 0.00 C ATOM 510 OH TYR A 31 4.140 -11.934 -21.272 1.00 0.00 O ATOM 0 H TYR A 31 -0.979 -6.884 -18.633 1.00 0.00 H new ATOM 0 HA TYR A 31 0.393 -8.349 -16.617 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.291 -10.448 -17.339 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.016 -9.793 -18.794 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.253 -10.805 -17.321 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.049 -10.048 -20.887 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.147 -11.761 -18.703 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.951 -11.005 -22.258 1.00 0.00 H new ATOM 0 HH TYR A 31 4.818 -11.242 -21.420 1.00 0.00 H new ATOM 520 N LYS A 32 1.040 -6.715 -19.184 1.00 0.00 N ATOM 521 CA LYS A 32 2.066 -6.043 -19.964 1.00 0.00 C ATOM 522 C LYS A 32 2.382 -4.691 -19.324 1.00 0.00 C ATOM 523 O LYS A 32 1.612 -4.192 -18.504 1.00 0.00 O ATOM 524 CB LYS A 32 1.646 -5.946 -21.432 1.00 0.00 C ATOM 525 CG LYS A 32 1.529 -7.336 -22.062 1.00 0.00 C ATOM 526 CD LYS A 32 0.262 -7.447 -22.913 1.00 0.00 C ATOM 527 CE LYS A 32 0.610 -7.636 -24.391 1.00 0.00 C ATOM 528 NZ LYS A 32 -0.553 -7.303 -25.243 1.00 0.00 N ATOM 0 H LYS A 32 0.109 -6.306 -19.261 1.00 0.00 H new ATOM 0 HA LYS A 32 2.989 -6.622 -19.959 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.690 -5.427 -21.507 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.375 -5.353 -21.984 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.405 -7.534 -22.680 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.513 -8.094 -21.279 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.340 -8.287 -22.567 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.343 -6.549 -22.790 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.456 -7.002 -24.656 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.916 -8.667 -24.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.300 -7.436 -26.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.350 -7.926 -25.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.827 -6.312 -25.084 1.00 0.00 H new ATOM 542 N VAL A 33 3.515 -4.133 -19.722 1.00 0.00 N ATOM 543 CA VAL A 33 3.943 -2.847 -19.199 1.00 0.00 C ATOM 544 C VAL A 33 3.828 -1.789 -20.298 1.00 0.00 C ATOM 545 O VAL A 33 4.364 -1.964 -21.392 1.00 0.00 O ATOM 546 CB VAL A 33 5.356 -2.960 -18.624 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.750 -1.680 -17.884 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.480 -4.181 -17.709 1.00 0.00 C ATOM 0 H VAL A 33 4.151 -4.549 -20.402 1.00 0.00 H new ATOM 0 HA VAL A 33 3.296 -2.535 -18.379 1.00 0.00 H new ATOM 0 HB VAL A 33 6.047 -3.093 -19.457 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.759 -1.786 -17.485 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.720 -0.837 -18.574 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.052 -1.504 -17.065 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.494 -4.238 -17.314 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.773 -4.091 -16.884 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.261 -5.085 -18.277 1.00 0.00 H new ATOM 558 N TYR A 34 3.126 -0.715 -19.970 1.00 0.00 N ATOM 559 CA TYR A 34 2.934 0.372 -20.916 1.00 0.00 C ATOM 560 C TYR A 34 3.601 1.655 -20.421 1.00 0.00 C ATOM 561 O TYR A 34 3.710 1.877 -19.216 1.00 0.00 O ATOM 562 CB TYR A 34 1.423 0.596 -21.000 1.00 0.00 C ATOM 563 CG TYR A 34 0.619 -0.677 -21.272 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.585 -1.685 -20.329 1.00 0.00 C ATOM 565 CD2 TYR A 34 -0.072 -0.817 -22.458 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.172 -2.884 -20.585 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.830 -2.015 -22.713 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.841 -2.989 -21.764 1.00 0.00 C ATOM 569 OH TYR A 34 -1.556 -4.121 -22.005 1.00 0.00 O ATOM 0 H TYR A 34 2.683 -0.574 -19.062 1.00 0.00 H new ATOM 0 HA TYR A 34 3.374 0.122 -21.881 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.079 1.038 -20.065 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.217 1.319 -21.789 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.125 -1.575 -19.400 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.045 -0.028 -23.195 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.207 -3.681 -19.857 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.377 -2.137 -23.636 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.633 -4.641 -21.178 1.00 0.00 H new ATOM 579 N ASP A 35 4.031 2.468 -21.375 1.00 0.00 N ATOM 580 CA ASP A 35 4.685 3.724 -21.049 1.00 0.00 C ATOM 581 C ASP A 35 3.629 4.820 -20.900 1.00 0.00 C ATOM 582 O ASP A 35 3.203 5.417 -21.888 1.00 0.00 O ATOM 583 CB ASP A 35 5.652 4.146 -22.159 1.00 0.00 C ATOM 584 CG ASP A 35 5.071 5.122 -23.184 1.00 0.00 C ATOM 585 OD1 ASP A 35 4.503 4.627 -24.182 1.00 0.00 O ATOM 586 OD2 ASP A 35 5.207 6.343 -22.947 1.00 0.00 O ATOM 0 H ASP A 35 3.939 2.281 -22.374 1.00 0.00 H new ATOM 0 HA ASP A 35 5.240 3.585 -20.121 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.530 4.602 -21.702 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.993 3.253 -22.682 1.00 0.00 H new ATOM 591 N LEU A 36 3.236 5.054 -19.656 1.00 0.00 N ATOM 592 CA LEU A 36 2.236 6.067 -19.365 1.00 0.00 C ATOM 593 C LEU A 36 2.759 7.435 -19.812 1.00 0.00 C ATOM 594 O LEU A 36 1.976 8.330 -20.126 1.00 0.00 O ATOM 595 CB LEU A 36 1.835 6.016 -17.889 1.00 0.00 C ATOM 596 CG LEU A 36 0.828 4.930 -17.506 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.126 5.272 -16.190 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.170 4.685 -18.639 1.00 0.00 C ATOM 0 H LEU A 36 3.592 4.559 -18.838 1.00 0.00 H new ATOM 0 HA LEU A 36 1.322 5.873 -19.927 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.736 5.875 -17.293 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.418 6.984 -17.612 1.00 0.00 H new ATOM 0 HG LEU A 36 1.373 3.999 -17.348 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.584 4.484 -15.941 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.866 5.358 -15.394 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.405 6.218 -16.296 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.875 3.909 -18.341 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.713 5.606 -18.851 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.366 4.365 -19.533 1.00 0.00 H new ATOM 610 N THR A 37 4.079 7.552 -19.827 1.00 0.00 N ATOM 611 CA THR A 37 4.714 8.796 -20.230 1.00 0.00 C ATOM 612 C THR A 37 4.120 9.295 -21.548 1.00 0.00 C ATOM 613 O THR A 37 3.960 10.499 -21.745 1.00 0.00 O ATOM 614 CB THR A 37 6.224 8.555 -20.298 1.00 0.00 C ATOM 615 OG1 THR A 37 6.661 8.718 -18.950 1.00 0.00 O ATOM 616 CG2 THR A 37 6.958 9.655 -21.064 1.00 0.00 C ATOM 0 H THR A 37 4.725 6.807 -19.567 1.00 0.00 H new ATOM 0 HA THR A 37 4.528 9.588 -19.505 1.00 0.00 H new ATOM 0 HB THR A 37 6.418 7.593 -20.772 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.640 8.737 -18.924 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.025 9.435 -21.082 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.580 9.702 -22.085 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.793 10.613 -20.572 1.00 0.00 H new ATOM 624 N LYS A 38 3.808 8.346 -22.418 1.00 0.00 N ATOM 625 CA LYS A 38 3.234 8.673 -23.712 1.00 0.00 C ATOM 626 C LYS A 38 1.741 8.958 -23.545 1.00 0.00 C ATOM 627 O LYS A 38 1.175 9.771 -24.275 1.00 0.00 O ATOM 628 CB LYS A 38 3.542 7.572 -24.729 1.00 0.00 C ATOM 629 CG LYS A 38 4.918 7.778 -25.362 1.00 0.00 C ATOM 630 CD LYS A 38 4.797 8.438 -26.736 1.00 0.00 C ATOM 631 CE LYS A 38 5.356 7.529 -27.832 1.00 0.00 C ATOM 632 NZ LYS A 38 5.639 8.309 -29.059 1.00 0.00 N ATOM 0 H LYS A 38 3.942 7.349 -22.252 1.00 0.00 H new ATOM 0 HA LYS A 38 3.688 9.579 -24.113 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.506 6.599 -24.239 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.778 7.566 -25.506 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.533 8.398 -24.710 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.425 6.818 -25.459 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.751 8.664 -26.944 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.334 9.387 -26.736 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.269 7.047 -27.482 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.642 6.736 -28.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.018 7.677 -29.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.761 8.749 -29.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.337 9.050 -28.846 1.00 0.00 H new ATOM 646 N PHE A 39 1.143 8.272 -22.582 1.00 0.00 N ATOM 647 CA PHE A 39 -0.274 8.440 -22.311 1.00 0.00 C ATOM 648 C PHE A 39 -0.494 9.235 -21.021 1.00 0.00 C ATOM 649 O PHE A 39 -1.120 8.742 -20.084 1.00 0.00 O ATOM 650 CB PHE A 39 -0.867 7.040 -22.141 1.00 0.00 C ATOM 651 CG PHE A 39 -2.375 6.969 -22.387 1.00 0.00 C ATOM 652 CD1 PHE A 39 -3.121 8.106 -22.371 1.00 0.00 C ATOM 653 CD2 PHE A 39 -2.970 5.769 -22.621 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.522 8.040 -22.600 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.370 5.702 -22.850 1.00 0.00 C ATOM 656 CZ PHE A 39 -5.116 6.840 -22.834 1.00 0.00 C ATOM 0 H PHE A 39 1.615 7.598 -21.979 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.747 8.985 -23.128 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.365 6.358 -22.827 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.657 6.688 -21.131 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.649 9.059 -22.184 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.378 4.866 -22.633 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.114 8.943 -22.588 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.842 4.749 -23.037 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.181 6.790 -23.007 1.00 0.00 H new ATOM 666 N LEU A 40 0.032 10.451 -21.016 1.00 0.00 N ATOM 667 CA LEU A 40 -0.100 11.317 -19.856 1.00 0.00 C ATOM 668 C LEU A 40 -1.103 12.429 -20.169 1.00 0.00 C ATOM 669 O LEU A 40 -2.122 12.558 -19.492 1.00 0.00 O ATOM 670 CB LEU A 40 1.271 11.832 -19.415 1.00 0.00 C ATOM 671 CG LEU A 40 2.009 10.976 -18.384 1.00 0.00 C ATOM 672 CD1 LEU A 40 3.240 11.707 -17.843 1.00 0.00 C ATOM 673 CD2 LEU A 40 1.066 10.536 -17.262 1.00 0.00 C ATOM 0 H LEU A 40 0.550 10.857 -21.795 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.495 10.760 -19.006 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.903 11.927 -20.298 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.146 12.834 -19.004 1.00 0.00 H new ATOM 0 HG LEU A 40 2.364 10.073 -18.881 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.746 11.076 -17.112 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.921 11.929 -18.664 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.931 12.637 -17.367 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.615 9.929 -16.542 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.661 11.415 -16.761 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.249 9.950 -17.682 1.00 0.00 H new ATOM 685 N GLU A 41 -0.779 13.205 -21.194 1.00 0.00 N ATOM 686 CA GLU A 41 -1.639 14.302 -21.603 1.00 0.00 C ATOM 687 C GLU A 41 -3.076 13.808 -21.790 1.00 0.00 C ATOM 688 O GLU A 41 -3.987 14.267 -21.103 1.00 0.00 O ATOM 689 CB GLU A 41 -1.116 14.962 -22.880 1.00 0.00 C ATOM 690 CG GLU A 41 -1.376 16.470 -22.865 1.00 0.00 C ATOM 691 CD GLU A 41 -0.449 17.196 -23.841 1.00 0.00 C ATOM 692 OE1 GLU A 41 0.695 17.484 -23.427 1.00 0.00 O ATOM 693 OE2 GLU A 41 -0.904 17.448 -24.977 1.00 0.00 O ATOM 0 H GLU A 41 0.067 13.095 -21.753 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.634 15.056 -20.816 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.047 14.775 -22.978 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.599 14.515 -23.749 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.415 16.666 -23.130 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.226 16.859 -21.858 1.00 0.00 H new ATOM 700 N GLU A 42 -3.232 12.881 -22.724 1.00 0.00 N ATOM 701 CA GLU A 42 -4.542 12.322 -23.010 1.00 0.00 C ATOM 702 C GLU A 42 -5.169 11.760 -21.733 1.00 0.00 C ATOM 703 O GLU A 42 -4.609 11.900 -20.648 1.00 0.00 O ATOM 704 CB GLU A 42 -4.453 11.247 -24.096 1.00 0.00 C ATOM 705 CG GLU A 42 -4.517 11.871 -25.491 1.00 0.00 C ATOM 706 CD GLU A 42 -5.964 12.154 -25.901 1.00 0.00 C ATOM 707 OE1 GLU A 42 -6.664 12.808 -25.098 1.00 0.00 O ATOM 708 OE2 GLU A 42 -6.338 11.709 -27.007 1.00 0.00 O ATOM 0 H GLU A 42 -2.473 12.503 -23.292 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.183 13.120 -23.385 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.523 10.689 -23.985 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.269 10.534 -23.975 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.944 12.798 -25.505 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.055 11.200 -26.215 1.00 0.00 H new ATOM 715 N HIS A 43 -6.326 11.137 -21.904 1.00 0.00 N ATOM 716 CA HIS A 43 -7.036 10.554 -20.779 1.00 0.00 C ATOM 717 C HIS A 43 -7.947 11.608 -20.145 1.00 0.00 C ATOM 718 O HIS A 43 -7.511 12.724 -19.866 1.00 0.00 O ATOM 719 CB HIS A 43 -6.056 9.938 -19.779 1.00 0.00 C ATOM 720 CG HIS A 43 -6.680 8.913 -18.860 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.647 9.235 -17.925 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.463 7.572 -18.746 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.991 8.129 -17.280 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.254 7.099 -17.790 1.00 0.00 N ATOM 0 H HIS A 43 -6.789 11.023 -22.806 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.670 9.739 -21.127 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.239 9.470 -20.328 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.620 10.734 -19.176 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.766 6.993 -19.333 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.725 8.056 -16.491 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -7.303 6.126 -17.487 1.00 0.00 H new ATOM 733 N PRO A 44 -9.228 11.207 -19.931 1.00 0.00 N ATOM 734 CA PRO A 44 -10.204 12.103 -19.333 1.00 0.00 C ATOM 735 C PRO A 44 -9.963 12.254 -17.831 1.00 0.00 C ATOM 736 O PRO A 44 -10.553 11.533 -17.028 1.00 0.00 O ATOM 737 CB PRO A 44 -11.556 11.488 -19.660 1.00 0.00 C ATOM 738 CG PRO A 44 -11.277 10.037 -20.021 1.00 0.00 C ATOM 739 CD PRO A 44 -9.780 9.892 -20.248 1.00 0.00 C ATOM 0 HA PRO A 44 -10.138 13.118 -19.725 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.232 11.555 -18.808 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.033 12.012 -20.488 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.608 9.374 -19.221 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.828 9.754 -20.918 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.355 9.119 -19.607 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.561 9.608 -21.277 1.00 0.00 H new ATOM 747 N GLY A 45 -9.095 13.198 -17.496 1.00 0.00 N ATOM 748 CA GLY A 45 -8.769 13.453 -16.103 1.00 0.00 C ATOM 749 C GLY A 45 -7.493 14.290 -15.982 1.00 0.00 C ATOM 750 O GLY A 45 -7.551 15.469 -15.636 1.00 0.00 O ATOM 0 H GLY A 45 -8.608 13.795 -18.165 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.597 13.974 -15.622 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.639 12.507 -15.577 1.00 0.00 H new ATOM 754 N GLY A 46 -6.373 13.648 -16.277 1.00 0.00 N ATOM 755 CA GLY A 46 -5.086 14.318 -16.207 1.00 0.00 C ATOM 756 C GLY A 46 -3.946 13.305 -16.088 1.00 0.00 C ATOM 757 O GLY A 46 -4.140 12.204 -15.574 1.00 0.00 O ATOM 0 H GLY A 46 -6.330 12.671 -16.565 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.942 14.930 -17.097 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.069 14.992 -15.351 1.00 0.00 H new ATOM 761 N GLU A 47 -2.781 13.713 -16.570 1.00 0.00 N ATOM 762 CA GLU A 47 -1.610 12.855 -16.524 1.00 0.00 C ATOM 763 C GLU A 47 -1.636 11.988 -15.263 1.00 0.00 C ATOM 764 O GLU A 47 -1.391 10.784 -15.327 1.00 0.00 O ATOM 765 CB GLU A 47 -0.323 13.679 -16.595 1.00 0.00 C ATOM 766 CG GLU A 47 -0.323 14.592 -17.823 1.00 0.00 C ATOM 767 CD GLU A 47 -0.729 16.017 -17.445 1.00 0.00 C ATOM 768 OE1 GLU A 47 -1.905 16.190 -17.057 1.00 0.00 O ATOM 769 OE2 GLU A 47 0.146 16.904 -17.553 1.00 0.00 O ATOM 0 H GLU A 47 -2.623 14.627 -16.994 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.631 12.198 -17.394 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.221 14.280 -15.691 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.538 13.012 -16.633 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.669 14.600 -18.275 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.011 14.200 -18.572 1.00 0.00 H new ATOM 776 N GLU A 48 -1.937 12.635 -14.145 1.00 0.00 N ATOM 777 CA GLU A 48 -1.998 11.938 -12.872 1.00 0.00 C ATOM 778 C GLU A 48 -2.792 10.637 -13.016 1.00 0.00 C ATOM 779 O GLU A 48 -2.316 9.570 -12.630 1.00 0.00 O ATOM 780 CB GLU A 48 -2.603 12.830 -11.787 1.00 0.00 C ATOM 781 CG GLU A 48 -1.700 12.882 -10.553 1.00 0.00 C ATOM 782 CD GLU A 48 -2.412 13.561 -9.380 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.614 13.270 -9.203 1.00 0.00 O ATOM 784 OE2 GLU A 48 -1.737 14.352 -8.688 1.00 0.00 O ATOM 0 H GLU A 48 -2.141 13.633 -14.095 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.981 11.689 -12.568 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.748 13.837 -12.178 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.586 12.452 -11.507 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.407 11.871 -10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.785 13.424 -10.790 1.00 0.00 H new ATOM 791 N VAL A 49 -3.987 10.770 -13.572 1.00 0.00 N ATOM 792 CA VAL A 49 -4.850 9.618 -13.772 1.00 0.00 C ATOM 793 C VAL A 49 -3.998 8.406 -14.155 1.00 0.00 C ATOM 794 O VAL A 49 -4.346 7.272 -13.835 1.00 0.00 O ATOM 795 CB VAL A 49 -5.926 9.943 -14.810 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.328 10.012 -16.217 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.072 8.933 -14.748 1.00 0.00 C ATOM 0 H VAL A 49 -4.378 11.657 -13.890 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.372 9.369 -12.848 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.335 10.925 -14.572 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.114 10.244 -16.935 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.565 10.789 -16.250 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.879 9.051 -16.469 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.823 9.188 -15.496 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.687 7.933 -14.947 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.525 8.957 -13.757 1.00 0.00 H new ATOM 807 N LEU A 50 -2.897 8.690 -14.836 1.00 0.00 N ATOM 808 CA LEU A 50 -1.992 7.637 -15.266 1.00 0.00 C ATOM 809 C LEU A 50 -0.768 7.617 -14.350 1.00 0.00 C ATOM 810 O LEU A 50 -0.252 6.550 -14.019 1.00 0.00 O ATOM 811 CB LEU A 50 -1.649 7.800 -16.748 1.00 0.00 C ATOM 812 CG LEU A 50 -2.831 7.763 -17.719 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.989 9.103 -18.440 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.700 6.596 -18.700 1.00 0.00 C ATOM 0 H LEU A 50 -2.611 9.633 -15.100 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.471 6.662 -15.178 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.128 8.749 -16.878 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.950 7.012 -17.027 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.741 7.597 -17.143 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.836 9.050 -19.124 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.162 9.892 -17.708 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.081 9.323 -19.002 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.553 6.593 -19.378 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.780 6.705 -19.274 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.673 5.657 -18.147 1.00 0.00 H new ATOM 826 N ARG A 51 -0.336 8.810 -13.965 1.00 0.00 N ATOM 827 CA ARG A 51 0.818 8.943 -13.092 1.00 0.00 C ATOM 828 C ARG A 51 0.516 8.344 -11.717 1.00 0.00 C ATOM 829 O ARG A 51 1.344 7.631 -11.151 1.00 0.00 O ATOM 830 CB ARG A 51 1.216 10.409 -12.926 1.00 0.00 C ATOM 831 CG ARG A 51 2.738 10.565 -12.902 1.00 0.00 C ATOM 832 CD ARG A 51 3.208 11.166 -11.576 1.00 0.00 C ATOM 833 NE ARG A 51 2.991 12.629 -11.577 1.00 0.00 N ATOM 834 CZ ARG A 51 3.002 13.392 -10.475 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.219 12.833 -9.276 1.00 0.00 N ATOM 836 NH2 ARG A 51 2.795 14.712 -10.571 1.00 0.00 N ATOM 0 H ARG A 51 -0.765 9.693 -14.242 1.00 0.00 H new ATOM 0 HA ARG A 51 1.646 8.404 -13.552 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.799 10.997 -13.744 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.792 10.802 -12.002 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.209 9.593 -13.052 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.055 11.203 -13.727 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.665 10.710 -10.748 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.265 10.947 -11.423 1.00 0.00 H new ATOM 0 HE ARG A 51 2.822 13.086 -12.473 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.376 11.828 -9.203 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.228 13.413 -8.437 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.629 15.137 -11.483 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.804 15.292 -9.732 1.00 0.00 H new ATOM 850 N GLU A 52 -0.672 8.657 -11.219 1.00 0.00 N ATOM 851 CA GLU A 52 -1.094 8.158 -9.921 1.00 0.00 C ATOM 852 C GLU A 52 -1.136 6.629 -9.927 1.00 0.00 C ATOM 853 O GLU A 52 -1.081 5.999 -8.872 1.00 0.00 O ATOM 854 CB GLU A 52 -2.450 8.744 -9.522 1.00 0.00 C ATOM 855 CG GLU A 52 -2.307 9.706 -8.342 1.00 0.00 C ATOM 856 CD GLU A 52 -2.151 8.941 -7.027 1.00 0.00 C ATOM 857 OE1 GLU A 52 -2.893 7.950 -6.856 1.00 0.00 O ATOM 858 OE2 GLU A 52 -1.293 9.364 -6.222 1.00 0.00 O ATOM 0 H GLU A 52 -1.355 9.250 -11.691 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.365 8.478 -9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.888 9.268 -10.372 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.135 7.938 -9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.442 10.351 -8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.182 10.354 -8.288 1.00 0.00 H new ATOM 865 N GLN A 53 -1.233 6.077 -11.128 1.00 0.00 N ATOM 866 CA GLN A 53 -1.286 4.633 -11.284 1.00 0.00 C ATOM 867 C GLN A 53 0.094 4.092 -11.670 1.00 0.00 C ATOM 868 O GLN A 53 0.394 2.924 -11.431 1.00 0.00 O ATOM 869 CB GLN A 53 -2.339 4.232 -12.318 1.00 0.00 C ATOM 870 CG GLN A 53 -2.046 4.868 -13.678 1.00 0.00 C ATOM 871 CD GLN A 53 -3.042 4.387 -14.735 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.880 3.344 -15.347 1.00 0.00 O ATOM 873 NE2 GLN A 53 -4.076 5.203 -14.915 1.00 0.00 N ATOM 0 H GLN A 53 -1.276 6.603 -12.001 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.575 4.193 -10.330 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.360 3.147 -12.418 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.326 4.540 -11.974 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.096 5.954 -13.594 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.032 4.618 -13.989 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.150 6.061 -14.368 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.796 4.971 -15.600 1.00 0.00 H new ATOM 882 N ALA A 54 0.896 4.969 -12.259 1.00 0.00 N ATOM 883 CA ALA A 54 2.235 4.594 -12.680 1.00 0.00 C ATOM 884 C ALA A 54 3.060 4.208 -11.451 1.00 0.00 C ATOM 885 O ALA A 54 3.115 4.955 -10.475 1.00 0.00 O ATOM 886 CB ALA A 54 2.864 5.744 -13.466 1.00 0.00 C ATOM 0 H ALA A 54 0.643 5.938 -12.454 1.00 0.00 H new ATOM 0 HA ALA A 54 2.202 3.728 -13.341 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.869 5.462 -13.782 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.255 5.961 -14.344 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.918 6.630 -12.834 1.00 0.00 H new ATOM 892 N GLY A 55 3.683 3.041 -11.537 1.00 0.00 N ATOM 893 CA GLY A 55 4.503 2.547 -10.444 1.00 0.00 C ATOM 894 C GLY A 55 4.102 1.120 -10.060 1.00 0.00 C ATOM 895 O GLY A 55 4.468 0.636 -8.990 1.00 0.00 O ATOM 0 H GLY A 55 3.636 2.423 -12.347 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.553 2.568 -10.734 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.398 3.203 -9.580 1.00 0.00 H new ATOM 899 N GLY A 56 3.357 0.488 -10.954 1.00 0.00 N ATOM 900 CA GLY A 56 2.904 -0.873 -10.722 1.00 0.00 C ATOM 901 C GLY A 56 1.726 -1.222 -11.635 1.00 0.00 C ATOM 902 O GLY A 56 1.339 -0.423 -12.486 1.00 0.00 O ATOM 0 H GLY A 56 3.056 0.893 -11.840 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.724 -1.568 -10.899 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.608 -0.989 -9.679 1.00 0.00 H new ATOM 906 N ASP A 57 1.193 -2.417 -11.429 1.00 0.00 N ATOM 907 CA ASP A 57 0.068 -2.882 -12.223 1.00 0.00 C ATOM 908 C ASP A 57 -1.127 -1.955 -11.998 1.00 0.00 C ATOM 909 O ASP A 57 -1.592 -1.797 -10.869 1.00 0.00 O ATOM 910 CB ASP A 57 -0.347 -4.297 -11.814 1.00 0.00 C ATOM 911 CG ASP A 57 -1.787 -4.675 -12.164 1.00 0.00 C ATOM 912 OD1 ASP A 57 -1.981 -5.192 -13.285 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.663 -4.437 -11.304 1.00 0.00 O ATOM 0 H ASP A 57 1.519 -3.078 -10.724 1.00 0.00 H new ATOM 0 HA ASP A 57 0.372 -2.884 -13.270 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.326 -5.009 -12.292 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.211 -4.402 -10.738 1.00 0.00 H new ATOM 918 N ALA A 58 -1.592 -1.364 -13.089 1.00 0.00 N ATOM 919 CA ALA A 58 -2.724 -0.457 -13.024 1.00 0.00 C ATOM 920 C ALA A 58 -4.010 -1.229 -13.329 1.00 0.00 C ATOM 921 O ALA A 58 -5.108 -0.747 -13.058 1.00 0.00 O ATOM 922 CB ALA A 58 -2.501 0.707 -13.991 1.00 0.00 C ATOM 0 H ALA A 58 -1.205 -1.496 -14.023 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.821 -0.037 -12.023 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.351 1.388 -13.943 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.592 1.241 -13.714 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.402 0.323 -15.006 1.00 0.00 H new ATOM 928 N THR A 59 -3.829 -2.418 -13.889 1.00 0.00 N ATOM 929 CA THR A 59 -4.961 -3.261 -14.233 1.00 0.00 C ATOM 930 C THR A 59 -5.915 -3.386 -13.044 1.00 0.00 C ATOM 931 O THR A 59 -7.107 -3.110 -13.169 1.00 0.00 O ATOM 932 CB THR A 59 -4.417 -4.606 -14.719 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.190 -4.894 -15.881 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.744 -5.751 -13.760 1.00 0.00 C ATOM 0 H THR A 59 -2.917 -2.816 -14.112 1.00 0.00 H new ATOM 0 HA THR A 59 -5.551 -2.822 -15.037 1.00 0.00 H new ATOM 0 HB THR A 59 -3.337 -4.536 -14.845 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.015 -4.366 -15.864 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.335 -6.682 -14.152 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.305 -5.545 -12.784 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.825 -5.844 -13.659 1.00 0.00 H new ATOM 942 N GLU A 60 -5.354 -3.802 -11.918 1.00 0.00 N ATOM 943 CA GLU A 60 -6.140 -3.967 -10.708 1.00 0.00 C ATOM 944 C GLU A 60 -7.146 -2.822 -10.567 1.00 0.00 C ATOM 945 O GLU A 60 -8.212 -2.996 -9.980 1.00 0.00 O ATOM 946 CB GLU A 60 -5.237 -4.057 -9.475 1.00 0.00 C ATOM 947 CG GLU A 60 -4.288 -2.858 -9.401 1.00 0.00 C ATOM 948 CD GLU A 60 -4.552 -2.029 -8.143 1.00 0.00 C ATOM 949 OE1 GLU A 60 -5.746 -1.850 -7.820 1.00 0.00 O ATOM 950 OE2 GLU A 60 -3.552 -1.593 -7.530 1.00 0.00 O ATOM 0 H GLU A 60 -4.365 -4.030 -11.819 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.693 -4.903 -10.783 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.849 -4.097 -8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.659 -4.981 -9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.255 -3.206 -9.402 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.415 -2.234 -10.286 1.00 0.00 H new ATOM 957 N ASN A 61 -6.769 -1.676 -11.115 1.00 0.00 N ATOM 958 CA ASN A 61 -7.624 -0.503 -11.059 1.00 0.00 C ATOM 959 C ASN A 61 -8.444 -0.411 -12.347 1.00 0.00 C ATOM 960 O ASN A 61 -9.670 -0.314 -12.303 1.00 0.00 O ATOM 961 CB ASN A 61 -6.797 0.778 -10.933 1.00 0.00 C ATOM 962 CG ASN A 61 -7.193 1.568 -9.685 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.289 2.092 -9.572 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.242 1.624 -8.756 1.00 0.00 N ATOM 0 H ASN A 61 -5.883 -1.535 -11.600 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.271 -0.601 -10.188 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.737 0.527 -10.888 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.941 1.396 -11.819 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.409 2.128 -7.885 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.346 1.163 -8.915 1.00 0.00 H new ATOM 971 N PHE A 62 -7.733 -0.447 -13.466 1.00 0.00 N ATOM 972 CA PHE A 62 -8.380 -0.369 -14.765 1.00 0.00 C ATOM 973 C PHE A 62 -9.536 -1.368 -14.864 1.00 0.00 C ATOM 974 O PHE A 62 -10.416 -1.222 -15.710 1.00 0.00 O ATOM 975 CB PHE A 62 -7.323 -0.725 -15.813 1.00 0.00 C ATOM 976 CG PHE A 62 -7.750 -1.833 -16.777 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.833 -3.119 -16.342 1.00 0.00 C ATOM 978 CD2 PHE A 62 -8.050 -1.530 -18.069 1.00 0.00 C ATOM 979 CE1 PHE A 62 -8.229 -4.147 -17.237 1.00 0.00 C ATOM 980 CE2 PHE A 62 -8.447 -2.559 -18.963 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.528 -3.845 -18.530 1.00 0.00 C ATOM 0 H PHE A 62 -6.717 -0.529 -13.499 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.786 0.631 -14.919 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.081 0.169 -16.388 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.410 -1.033 -15.303 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.598 -3.358 -15.315 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.986 -0.509 -18.414 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.293 -5.168 -16.892 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.685 -2.320 -19.989 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.829 -4.627 -19.212 1.00 0.00 H new ATOM 991 N GLU A 63 -9.494 -2.359 -13.987 1.00 0.00 N ATOM 992 CA GLU A 63 -10.526 -3.383 -13.963 1.00 0.00 C ATOM 993 C GLU A 63 -11.821 -2.816 -13.379 1.00 0.00 C ATOM 994 O GLU A 63 -12.901 -3.036 -13.926 1.00 0.00 O ATOM 995 CB GLU A 63 -10.062 -4.612 -13.180 1.00 0.00 C ATOM 996 CG GLU A 63 -9.353 -5.611 -14.095 1.00 0.00 C ATOM 997 CD GLU A 63 -10.339 -6.636 -14.656 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.217 -7.066 -13.876 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.193 -6.969 -15.853 1.00 0.00 O ATOM 0 H GLU A 63 -8.761 -2.476 -13.287 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.720 -3.700 -14.988 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.388 -4.305 -12.380 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.919 -5.091 -12.708 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.870 -5.079 -14.915 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.567 -6.123 -13.540 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.671 -2.098 -12.276 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.816 -1.498 -11.612 1.00 0.00 C ATOM 1008 C ASP A 64 -13.357 -0.354 -12.471 1.00 0.00 C ATOM 1009 O ASP A 64 -14.522 -0.369 -12.870 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.423 -0.922 -10.250 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.363 -1.284 -9.099 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -14.550 -1.545 -9.396 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -12.876 -1.292 -7.949 1.00 0.00 O ATOM 0 H ASP A 64 -10.774 -1.918 -11.825 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.569 -2.273 -11.472 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.420 -1.268 -10.002 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.375 0.164 -10.332 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.487 0.610 -12.732 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.862 1.760 -13.537 1.00 0.00 C ATOM 1020 C VAL A 65 -13.501 1.278 -14.841 1.00 0.00 C ATOM 1021 O VAL A 65 -14.202 2.035 -15.511 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.646 2.661 -13.763 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.346 1.864 -13.649 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.736 3.373 -15.114 1.00 0.00 C ATOM 0 H VAL A 65 -11.523 0.618 -12.400 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.604 2.365 -13.016 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.642 3.422 -12.983 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.497 2.527 -13.814 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.275 1.424 -12.654 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.338 1.072 -14.398 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.860 4.007 -15.250 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.776 2.633 -15.913 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.636 3.987 -15.142 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.234 0.020 -15.163 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.774 -0.572 -16.375 1.00 0.00 C ATOM 1036 C GLY A 66 -13.418 0.270 -17.603 1.00 0.00 C ATOM 1037 O GLY A 66 -14.148 1.195 -17.957 1.00 0.00 O ATOM 0 H GLY A 66 -12.651 -0.605 -14.606 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.382 -1.582 -16.496 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.857 -0.658 -16.290 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.298 -0.080 -18.216 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.836 0.631 -19.397 1.00 0.00 C ATOM 1043 C HIS A 67 -12.495 0.037 -20.643 1.00 0.00 C ATOM 1044 O HIS A 67 -13.219 -0.951 -20.556 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.309 0.625 -19.471 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.643 1.593 -18.524 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.171 1.218 -17.278 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.373 2.924 -18.654 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.644 2.283 -16.692 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.771 3.341 -17.545 1.00 0.00 N ATOM 0 H HIS A 67 -11.696 -0.847 -17.918 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.133 1.678 -19.337 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.949 -0.382 -19.257 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.004 0.863 -20.490 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.609 3.535 -19.513 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.193 2.309 -15.711 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -8.456 4.294 -17.362 1.00 0.00 H new ATOM 1059 N SER A 68 -12.219 0.668 -21.775 1.00 0.00 N ATOM 1060 CA SER A 68 -12.775 0.216 -23.039 1.00 0.00 C ATOM 1061 C SER A 68 -11.696 -0.490 -23.862 1.00 0.00 C ATOM 1062 O SER A 68 -10.512 -0.179 -23.739 1.00 0.00 O ATOM 1063 CB SER A 68 -13.368 1.383 -23.830 1.00 0.00 C ATOM 1064 OG SER A 68 -12.400 2.001 -24.676 1.00 0.00 O ATOM 0 H SER A 68 -11.617 1.489 -21.843 1.00 0.00 H new ATOM 0 HA SER A 68 -13.580 -0.488 -22.826 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.202 1.025 -24.434 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.770 2.123 -23.138 1.00 0.00 H new ATOM 0 HG SER A 68 -12.818 2.740 -25.165 1.00 0.00 H new ATOM 1070 N THR A 69 -12.143 -1.430 -24.684 1.00 0.00 N ATOM 1071 CA THR A 69 -11.229 -2.181 -25.527 1.00 0.00 C ATOM 1072 C THR A 69 -10.308 -1.233 -26.295 1.00 0.00 C ATOM 1073 O THR A 69 -9.155 -1.567 -26.568 1.00 0.00 O ATOM 1074 CB THR A 69 -12.064 -3.086 -26.437 1.00 0.00 C ATOM 1075 OG1 THR A 69 -13.149 -2.258 -26.848 1.00 0.00 O ATOM 1076 CG2 THR A 69 -12.736 -4.228 -25.672 1.00 0.00 C ATOM 0 H THR A 69 -13.125 -1.688 -24.783 1.00 0.00 H new ATOM 0 HA THR A 69 -10.569 -2.811 -24.931 1.00 0.00 H new ATOM 0 HB THR A 69 -11.428 -3.499 -27.220 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.740 -2.765 -27.443 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.315 -4.839 -26.365 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.974 -4.844 -25.195 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.398 -3.816 -24.911 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.848 -0.067 -26.622 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.088 0.932 -27.351 1.00 0.00 C ATOM 1086 C ASP A 70 -8.946 1.442 -26.471 1.00 0.00 C ATOM 1087 O ASP A 70 -7.793 1.470 -26.897 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.967 2.127 -27.726 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.264 3.216 -28.538 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -10.086 2.992 -29.755 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -9.921 4.251 -27.925 1.00 0.00 O ATOM 0 H ASP A 70 -11.804 0.207 -26.395 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.705 0.467 -28.259 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.823 1.765 -28.296 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.359 2.572 -26.811 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.308 1.834 -25.257 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.327 2.342 -24.312 1.00 0.00 C ATOM 1098 C ALA A 71 -7.160 1.358 -24.215 1.00 0.00 C ATOM 1099 O ALA A 71 -6.000 1.756 -24.287 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.000 2.585 -22.959 1.00 0.00 C ATOM 0 H ALA A 71 -10.266 1.810 -24.907 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.925 3.296 -24.652 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.265 2.966 -22.250 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.802 3.314 -23.077 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.413 1.648 -22.585 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.510 0.090 -24.055 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.505 -0.956 -23.948 1.00 0.00 C ATOM 1108 C ARG A 72 -5.680 -1.032 -25.233 1.00 0.00 C ATOM 1109 O ARG A 72 -4.461 -1.191 -25.184 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.153 -2.316 -23.683 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.130 -2.239 -22.507 1.00 0.00 C ATOM 1112 CD ARG A 72 -8.713 -3.617 -22.188 1.00 0.00 C ATOM 1113 NE ARG A 72 -7.629 -4.544 -21.789 1.00 0.00 N ATOM 1114 CZ ARG A 72 -7.769 -5.875 -21.716 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -8.945 -6.443 -22.013 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -6.731 -6.637 -21.344 1.00 0.00 N ATOM 0 H ARG A 72 -8.474 -0.237 -23.997 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.854 -0.707 -23.110 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.680 -2.652 -24.576 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.381 -3.056 -23.471 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.618 -1.845 -21.629 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.936 -1.545 -22.744 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.446 -3.534 -21.386 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.237 -4.010 -23.059 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.720 -4.145 -21.555 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.735 -5.863 -22.295 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.051 -7.456 -21.957 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.836 -6.204 -21.117 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.836 -7.650 -21.288 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.378 -0.918 -26.354 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.725 -0.972 -27.651 1.00 0.00 C ATOM 1132 C GLU A 73 -4.704 0.160 -27.779 1.00 0.00 C ATOM 1133 O GLU A 73 -3.564 -0.071 -28.185 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.751 -0.916 -28.785 1.00 0.00 C ATOM 1135 CG GLU A 73 -7.193 -2.324 -29.194 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.236 -2.266 -30.312 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -9.334 -1.735 -30.037 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -7.912 -2.755 -31.416 1.00 0.00 O ATOM 0 H GLU A 73 -7.389 -0.788 -26.391 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.197 -1.922 -27.730 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.618 -0.336 -28.468 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.321 -0.402 -29.644 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.329 -2.898 -29.527 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.608 -2.844 -28.331 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.148 1.356 -27.427 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.287 2.525 -27.498 1.00 0.00 C ATOM 1147 C LEU A 74 -3.021 2.271 -26.677 1.00 0.00 C ATOM 1148 O LEU A 74 -1.924 2.639 -27.092 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.052 3.781 -27.076 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.835 4.246 -25.635 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.657 5.218 -25.545 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.117 4.843 -25.052 1.00 0.00 C ATOM 0 H LEU A 74 -6.093 1.542 -27.091 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.971 2.703 -28.526 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.772 4.595 -27.745 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.117 3.600 -27.222 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.582 3.376 -25.029 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.524 5.534 -24.510 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.750 4.724 -25.893 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.857 6.090 -26.167 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.935 5.165 -24.027 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.425 5.699 -25.652 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.906 4.091 -25.061 1.00 0.00 H new ATOM 1164 N SER A 75 -3.217 1.644 -25.526 1.00 0.00 N ATOM 1165 CA SER A 75 -2.104 1.337 -24.643 1.00 0.00 C ATOM 1166 C SER A 75 -1.101 0.431 -25.361 1.00 0.00 C ATOM 1167 O SER A 75 0.104 0.531 -25.131 1.00 0.00 O ATOM 1168 CB SER A 75 -2.593 0.671 -23.355 1.00 0.00 C ATOM 1169 OG SER A 75 -2.076 1.315 -22.192 1.00 0.00 O ATOM 0 H SER A 75 -4.129 1.340 -25.185 1.00 0.00 H new ATOM 0 HA SER A 75 -1.612 2.271 -24.374 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.682 0.692 -23.327 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.294 -0.377 -23.352 1.00 0.00 H new ATOM 0 HG SER A 75 -1.336 0.786 -21.827 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.634 -0.428 -26.216 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.800 -1.350 -26.968 1.00 0.00 C ATOM 1177 C LYS A 76 0.193 -0.555 -27.817 1.00 0.00 C ATOM 1178 O LYS A 76 1.179 -1.105 -28.305 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.667 -2.316 -27.779 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.611 -1.983 -29.271 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.391 -3.012 -30.091 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.107 -2.850 -31.587 1.00 0.00 C ATOM 1183 NZ LYS A 76 -2.442 -4.094 -32.316 1.00 0.00 N ATOM 0 H LYS A 76 -2.633 -0.505 -26.405 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.215 -1.973 -26.292 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.326 -3.339 -27.618 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.698 -2.265 -27.430 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.024 -0.989 -29.441 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.573 -1.959 -29.603 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.119 -4.018 -29.772 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.459 -2.897 -29.905 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.690 -2.020 -31.986 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.056 -2.604 -31.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.243 -3.967 -33.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.868 -4.878 -31.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.451 -4.312 -32.186 1.00 0.00 H new ATOM 1197 N THR A 77 -0.101 0.729 -27.967 1.00 0.00 N ATOM 1198 CA THR A 77 0.754 1.605 -28.749 1.00 0.00 C ATOM 1199 C THR A 77 1.875 2.174 -27.876 1.00 0.00 C ATOM 1200 O THR A 77 2.875 2.675 -28.392 1.00 0.00 O ATOM 1201 CB THR A 77 -0.127 2.683 -29.385 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.621 3.120 -30.517 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.246 3.933 -28.511 1.00 0.00 C ATOM 0 H THR A 77 -0.919 1.183 -27.560 1.00 0.00 H new ATOM 0 HA THR A 77 1.253 1.059 -29.550 1.00 0.00 H new ATOM 0 HB THR A 77 -1.121 2.276 -29.572 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.574 3.147 -30.289 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.881 4.666 -29.009 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.685 3.665 -27.550 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.744 4.360 -28.351 1.00 0.00 H new ATOM 1211 N PHE A 78 1.671 2.078 -26.571 1.00 0.00 N ATOM 1212 CA PHE A 78 2.652 2.577 -25.622 1.00 0.00 C ATOM 1213 C PHE A 78 3.402 1.423 -24.951 1.00 0.00 C ATOM 1214 O PHE A 78 4.408 1.641 -24.278 1.00 0.00 O ATOM 1215 CB PHE A 78 1.884 3.360 -24.555 1.00 0.00 C ATOM 1216 CG PHE A 78 1.149 4.588 -25.094 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.707 5.335 -26.085 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.063 4.933 -24.583 1.00 0.00 C ATOM 1219 CE1 PHE A 78 1.024 6.475 -26.586 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -0.747 6.073 -25.083 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.188 6.820 -26.074 1.00 0.00 C ATOM 0 H PHE A 78 0.841 1.662 -26.148 1.00 0.00 H new ATOM 0 HA PHE A 78 3.384 3.200 -26.136 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.161 2.696 -24.081 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.581 3.678 -23.780 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.670 5.061 -26.491 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.506 4.340 -23.797 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.467 7.068 -27.373 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.710 6.347 -24.677 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.707 7.687 -26.454 1.00 0.00 H new ATOM 1231 N ILE A 79 2.882 0.223 -25.158 1.00 0.00 N ATOM 1232 CA ILE A 79 3.490 -0.965 -24.581 1.00 0.00 C ATOM 1233 C ILE A 79 4.998 -0.933 -24.832 1.00 0.00 C ATOM 1234 O ILE A 79 5.440 -0.848 -25.977 1.00 0.00 O ATOM 1235 CB ILE A 79 2.805 -2.227 -25.109 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.645 -2.642 -24.202 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.816 -3.360 -25.303 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.338 -4.134 -24.351 1.00 0.00 C ATOM 0 H ILE A 79 2.047 0.047 -25.717 1.00 0.00 H new ATOM 0 HA ILE A 79 3.347 -0.981 -23.501 1.00 0.00 H new ATOM 0 HB ILE A 79 2.383 -2.002 -26.088 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.893 -2.420 -23.164 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.758 -2.058 -24.450 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.303 -4.245 -25.679 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.577 -3.050 -26.019 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.289 -3.593 -24.349 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.510 -4.402 -23.695 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.067 -4.348 -25.385 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.219 -4.716 -24.079 1.00 0.00 H new ATOM 1250 N ILE A 80 5.748 -1.005 -23.742 1.00 0.00 N ATOM 1251 CA ILE A 80 7.200 -0.986 -23.830 1.00 0.00 C ATOM 1252 C ILE A 80 7.745 -2.374 -23.484 1.00 0.00 C ATOM 1253 O ILE A 80 8.840 -2.738 -23.910 1.00 0.00 O ATOM 1254 CB ILE A 80 7.774 0.135 -22.961 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.793 0.527 -21.853 1.00 0.00 C ATOM 1256 CG2 ILE A 80 8.183 1.336 -23.814 1.00 0.00 C ATOM 1257 CD1 ILE A 80 6.796 -0.509 -20.726 1.00 0.00 C ATOM 0 H ILE A 80 5.379 -1.077 -22.794 1.00 0.00 H new ATOM 0 HA ILE A 80 7.518 -0.763 -24.848 1.00 0.00 H new ATOM 0 HB ILE A 80 8.676 -0.238 -22.476 1.00 0.00 H new ATOM 0 HG12 ILE A 80 7.062 1.505 -21.454 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.789 0.617 -22.267 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.588 2.118 -23.171 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.942 1.029 -24.534 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.312 1.718 -24.346 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.091 -0.207 -19.952 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.503 -1.481 -21.124 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.796 -0.579 -20.298 1.00 0.00 H new ATOM 1269 N GLY A 81 6.955 -3.110 -22.717 1.00 0.00 N ATOM 1270 CA GLY A 81 7.346 -4.448 -22.308 1.00 0.00 C ATOM 1271 C GLY A 81 6.209 -5.147 -21.560 1.00 0.00 C ATOM 1272 O GLY A 81 5.036 -4.884 -21.818 1.00 0.00 O ATOM 0 H GLY A 81 6.046 -2.805 -22.368 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.623 -5.034 -23.185 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.227 -4.394 -21.669 1.00 0.00 H new ATOM 1276 N GLU A 82 6.598 -6.024 -20.645 1.00 0.00 N ATOM 1277 CA GLU A 82 5.625 -6.763 -19.857 1.00 0.00 C ATOM 1278 C GLU A 82 6.222 -7.144 -18.501 1.00 0.00 C ATOM 1279 O GLU A 82 7.430 -7.037 -18.298 1.00 0.00 O ATOM 1280 CB GLU A 82 5.136 -8.002 -20.610 1.00 0.00 C ATOM 1281 CG GLU A 82 5.287 -7.821 -22.121 1.00 0.00 C ATOM 1282 CD GLU A 82 4.845 -9.080 -22.871 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.439 -10.143 -22.593 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.923 -8.948 -23.705 1.00 0.00 O ATOM 0 H GLU A 82 7.572 -6.239 -20.432 1.00 0.00 H new ATOM 0 HA GLU A 82 4.762 -6.121 -19.685 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.702 -8.875 -20.287 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.091 -8.191 -20.366 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.692 -6.969 -22.450 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.326 -7.596 -22.362 1.00 0.00 H new ATOM 1291 N LEU A 83 5.347 -7.584 -17.608 1.00 0.00 N ATOM 1292 CA LEU A 83 5.773 -7.982 -16.276 1.00 0.00 C ATOM 1293 C LEU A 83 6.551 -9.298 -16.367 1.00 0.00 C ATOM 1294 O LEU A 83 6.063 -10.272 -16.937 1.00 0.00 O ATOM 1295 CB LEU A 83 4.575 -8.041 -15.327 1.00 0.00 C ATOM 1296 CG LEU A 83 4.897 -8.334 -13.860 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.400 -8.232 -13.597 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.089 -7.427 -12.929 1.00 0.00 C ATOM 0 H LEU A 83 4.346 -7.674 -17.780 1.00 0.00 H new ATOM 0 HA LEU A 83 6.449 -7.239 -15.853 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.047 -7.089 -15.380 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.888 -8.806 -15.688 1.00 0.00 H new ATOM 0 HG LEU A 83 4.602 -9.361 -13.645 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.601 -8.445 -12.547 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.928 -8.953 -14.221 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.744 -7.225 -13.835 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.337 -7.656 -11.893 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.329 -6.385 -13.138 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.024 -7.594 -13.093 1.00 0.00 H new ATOM 1310 N HIS A 84 7.746 -9.281 -15.797 1.00 0.00 N ATOM 1311 CA HIS A 84 8.596 -10.460 -15.805 1.00 0.00 C ATOM 1312 C HIS A 84 8.069 -11.478 -14.792 1.00 0.00 C ATOM 1313 O HIS A 84 7.040 -11.255 -14.157 1.00 0.00 O ATOM 1314 CB HIS A 84 10.056 -10.078 -15.558 1.00 0.00 C ATOM 1315 CG HIS A 84 11.008 -10.575 -16.622 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.582 -11.025 -17.858 1.00 0.00 N ATOM 1317 CD2 HIS A 84 12.367 -10.684 -16.619 1.00 0.00 C ATOM 1318 CE1 HIS A 84 11.645 -11.388 -18.561 1.00 0.00 C ATOM 1319 NE2 HIS A 84 12.751 -11.176 -17.791 1.00 0.00 N ATOM 0 H HIS A 84 8.147 -8.470 -15.326 1.00 0.00 H new ATOM 0 HA HIS A 84 8.566 -10.929 -16.788 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.132 -8.992 -15.495 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.367 -10.476 -14.592 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.020 -10.416 -15.802 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.637 -11.782 -19.566 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.714 -11.364 -18.070 1.00 0.00 H new ATOM 1328 N PRO A 85 8.820 -12.607 -14.670 1.00 0.00 N ATOM 1329 CA PRO A 85 8.440 -13.661 -13.744 1.00 0.00 C ATOM 1330 C PRO A 85 8.746 -13.259 -12.299 1.00 0.00 C ATOM 1331 O PRO A 85 8.648 -14.081 -11.389 1.00 0.00 O ATOM 1332 CB PRO A 85 9.223 -14.882 -14.198 1.00 0.00 C ATOM 1333 CG PRO A 85 10.355 -14.355 -15.063 1.00 0.00 C ATOM 1334 CD PRO A 85 10.045 -12.907 -15.405 1.00 0.00 C ATOM 0 HA PRO A 85 7.369 -13.863 -13.753 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.611 -15.437 -13.344 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.588 -15.566 -14.761 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.305 -14.427 -14.534 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.450 -14.950 -15.971 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.859 -12.246 -15.105 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.906 -12.775 -16.478 1.00 0.00 H new ATOM 1342 N ASP A 86 9.108 -11.994 -12.135 1.00 0.00 N ATOM 1343 CA ASP A 86 9.426 -11.473 -10.816 1.00 0.00 C ATOM 1344 C ASP A 86 8.129 -11.220 -10.045 1.00 0.00 C ATOM 1345 O ASP A 86 8.127 -11.208 -8.816 1.00 0.00 O ATOM 1346 CB ASP A 86 10.183 -10.149 -10.917 1.00 0.00 C ATOM 1347 CG ASP A 86 9.861 -9.135 -9.817 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.267 -9.398 -8.665 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.216 -8.118 -10.153 1.00 0.00 O ATOM 0 H ASP A 86 9.188 -11.316 -12.893 1.00 0.00 H new ATOM 0 HA ASP A 86 10.049 -12.207 -10.304 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.253 -10.357 -10.897 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.964 -9.696 -11.884 1.00 0.00 H new ATOM 1354 N ASP A 87 7.058 -11.026 -10.800 1.00 0.00 N ATOM 1355 CA ASP A 87 5.758 -10.772 -10.202 1.00 0.00 C ATOM 1356 C ASP A 87 4.687 -10.796 -11.294 1.00 0.00 C ATOM 1357 O ASP A 87 4.161 -9.752 -11.677 1.00 0.00 O ATOM 1358 CB ASP A 87 5.717 -9.398 -9.531 1.00 0.00 C ATOM 1359 CG ASP A 87 6.276 -9.359 -8.107 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.483 -9.626 -7.179 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.483 -9.061 -7.979 1.00 0.00 O ATOM 0 H ASP A 87 7.063 -11.040 -11.820 1.00 0.00 H new ATOM 0 HA ASP A 87 5.575 -11.543 -9.454 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.278 -8.693 -10.145 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.684 -9.051 -9.510 1.00 0.00 H new ATOM 1366 N ARG A 88 4.393 -12.000 -11.765 1.00 0.00 N ATOM 1367 CA ARG A 88 3.395 -12.174 -12.805 1.00 0.00 C ATOM 1368 C ARG A 88 2.008 -12.361 -12.184 1.00 0.00 C ATOM 1369 O ARG A 88 1.170 -11.464 -12.247 1.00 0.00 O ATOM 1370 CB ARG A 88 3.718 -13.383 -13.684 1.00 0.00 C ATOM 1371 CG ARG A 88 5.143 -13.293 -14.236 1.00 0.00 C ATOM 1372 CD ARG A 88 5.178 -12.481 -15.533 1.00 0.00 C ATOM 1373 NE ARG A 88 4.329 -13.128 -16.558 1.00 0.00 N ATOM 1374 CZ ARG A 88 4.673 -14.236 -17.229 1.00 0.00 C ATOM 1375 NH1 ARG A 88 5.851 -14.827 -16.988 1.00 0.00 N ATOM 1376 NH2 ARG A 88 3.838 -14.753 -18.141 1.00 0.00 N ATOM 0 H ARG A 88 4.830 -12.864 -11.444 1.00 0.00 H new ATOM 0 HA ARG A 88 3.403 -11.277 -13.424 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.606 -14.299 -13.104 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.007 -13.438 -14.509 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.795 -12.830 -13.495 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.530 -14.295 -14.420 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.827 -11.466 -15.346 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.203 -12.402 -15.895 1.00 0.00 H new ATOM 0 HE ARG A 88 3.425 -12.704 -16.767 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.486 -14.434 -16.294 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.112 -15.670 -17.499 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.941 -14.303 -18.324 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.099 -15.596 -18.652 1.00 0.00 H new ATOM 1390 N SER A 89 1.811 -13.532 -11.599 1.00 0.00 N ATOM 1391 CA SER A 89 0.542 -13.849 -10.967 1.00 0.00 C ATOM 1392 C SER A 89 0.285 -12.894 -9.799 1.00 0.00 C ATOM 1393 O SER A 89 -0.807 -12.878 -9.234 1.00 0.00 O ATOM 1394 CB SER A 89 0.514 -15.299 -10.481 1.00 0.00 C ATOM 1395 OG SER A 89 -0.646 -15.581 -9.703 1.00 0.00 O ATOM 0 H SER A 89 2.509 -14.274 -11.549 1.00 0.00 H new ATOM 0 HA SER A 89 -0.247 -13.728 -11.709 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.546 -15.969 -11.340 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.406 -15.499 -9.887 1.00 0.00 H new ATOM 0 HG SER A 89 -1.096 -14.742 -9.471 1.00 0.00 H new ATOM 1401 N LYS A 90 1.310 -12.121 -9.474 1.00 0.00 N ATOM 1402 CA LYS A 90 1.210 -11.164 -8.385 1.00 0.00 C ATOM 1403 C LYS A 90 0.362 -9.972 -8.833 1.00 0.00 C ATOM 1404 O LYS A 90 -0.215 -9.269 -8.007 1.00 0.00 O ATOM 1405 CB LYS A 90 2.602 -10.774 -7.884 1.00 0.00 C ATOM 1406 CG LYS A 90 2.972 -11.559 -6.624 1.00 0.00 C ATOM 1407 CD LYS A 90 4.266 -12.349 -6.831 1.00 0.00 C ATOM 1408 CE LYS A 90 4.860 -12.788 -5.490 1.00 0.00 C ATOM 1409 NZ LYS A 90 5.751 -13.956 -5.677 1.00 0.00 N ATOM 0 H LYS A 90 2.214 -12.138 -9.946 1.00 0.00 H new ATOM 0 HA LYS A 90 0.703 -11.613 -7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.339 -10.963 -8.664 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.630 -9.705 -7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.091 -10.873 -5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.162 -12.241 -6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.067 -13.225 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.989 -11.736 -7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.418 -11.964 -5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.059 -13.041 -4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.146 -14.242 -4.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.208 -14.746 -6.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.525 -13.702 -6.323 1.00 0.00 H new ATOM 1423 N ILE A 91 0.314 -9.782 -10.145 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.455 -8.688 -10.713 1.00 0.00 C ATOM 1425 C ILE A 91 -1.462 -9.247 -11.721 1.00 0.00 C ATOM 1426 O ILE A 91 -2.571 -8.731 -11.846 1.00 0.00 O ATOM 1427 CB ILE A 91 0.478 -7.628 -11.302 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.764 -7.908 -12.779 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.764 -7.512 -10.481 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.415 -6.696 -13.449 1.00 0.00 C ATOM 0 H ILE A 91 0.795 -10.367 -10.829 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.028 -8.182 -9.936 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.026 -6.663 -11.249 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.420 -8.774 -12.869 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.165 -8.157 -13.292 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.409 -6.752 -10.921 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.518 -7.231 -9.457 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.282 -8.471 -10.479 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.608 -6.920 -14.498 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.746 -5.838 -13.379 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.355 -6.465 -12.948 1.00 0.00 H new ATOM 1442 N THR A 92 -1.039 -10.296 -12.412 1.00 0.00 N ATOM 1443 CA THR A 92 -1.890 -10.931 -13.404 1.00 0.00 C ATOM 1444 C THR A 92 -3.363 -10.770 -13.024 1.00 0.00 C ATOM 1445 O THR A 92 -3.712 -10.812 -11.845 1.00 0.00 O ATOM 1446 CB THR A 92 -1.453 -12.390 -13.537 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.762 -12.724 -14.887 1.00 0.00 O ATOM 1448 CG2 THR A 92 -2.322 -13.341 -12.710 1.00 0.00 C ATOM 0 H THR A 92 -0.118 -10.722 -12.304 1.00 0.00 H new ATOM 0 HA THR A 92 -1.784 -10.455 -14.379 1.00 0.00 H new ATOM 0 HB THR A 92 -0.413 -12.486 -13.226 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.509 -13.655 -15.060 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.968 -14.364 -12.841 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.260 -13.067 -11.657 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.358 -13.270 -13.043 1.00 0.00 H new ATOM 1456 N LYS A 93 -4.189 -10.591 -14.045 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.617 -10.425 -13.832 1.00 0.00 C ATOM 1458 C LYS A 93 -6.353 -10.630 -15.157 1.00 0.00 C ATOM 1459 O LYS A 93 -6.388 -9.733 -15.997 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.907 -9.075 -13.170 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.106 -9.236 -11.662 1.00 0.00 C ATOM 1462 CD LYS A 93 -7.524 -8.830 -11.252 1.00 0.00 C ATOM 1463 CE LYS A 93 -7.632 -8.677 -9.732 1.00 0.00 C ATOM 1464 NZ LYS A 93 -7.399 -7.271 -9.336 1.00 0.00 N ATOM 0 H LYS A 93 -3.897 -10.557 -15.022 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.989 -11.180 -13.140 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.083 -8.388 -13.360 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.799 -8.633 -13.613 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.923 -10.272 -11.375 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.379 -8.624 -11.128 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.792 -7.891 -11.736 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.235 -9.580 -11.597 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.619 -8.997 -9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.904 -9.324 -9.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.476 -7.184 -8.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.448 -6.978 -9.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.109 -6.661 -9.788 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.937 -11.849 -15.307 1.00 0.00 N ATOM 1479 CA PRO A 94 -7.670 -12.184 -16.516 1.00 0.00 C ATOM 1480 C PRO A 94 -9.034 -11.488 -16.542 1.00 0.00 C ATOM 1481 O PRO A 94 -9.338 -10.745 -17.472 1.00 0.00 O ATOM 1482 CB PRO A 94 -7.776 -13.700 -16.504 1.00 0.00 C ATOM 1483 CG PRO A 94 -7.511 -14.125 -15.070 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.915 -12.937 -14.335 1.00 0.00 C ATOM 0 HA PRO A 94 -7.169 -11.840 -17.421 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.764 -14.025 -16.831 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.051 -14.148 -17.184 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.435 -14.446 -14.590 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.827 -14.973 -15.043 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.498 -12.687 -13.448 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.899 -13.148 -14.000 1.00 0.00 H new ATOM 1492 N SER A 95 -9.817 -11.757 -15.508 1.00 0.00 N ATOM 1493 CA SER A 95 -11.140 -11.166 -15.399 1.00 0.00 C ATOM 1494 C SER A 95 -11.597 -11.172 -13.939 1.00 0.00 C ATOM 1495 O SER A 95 -11.114 -11.967 -13.135 1.00 0.00 O ATOM 1496 CB SER A 95 -12.150 -11.914 -16.273 1.00 0.00 C ATOM 1497 OG SER A 95 -12.293 -13.275 -15.879 1.00 0.00 O ATOM 0 H SER A 95 -9.561 -12.376 -14.739 1.00 0.00 H new ATOM 0 HA SER A 95 -11.085 -10.136 -15.752 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.118 -11.416 -16.215 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.831 -11.870 -17.314 1.00 0.00 H new ATOM 0 HG SER A 95 -12.947 -13.717 -16.460 1.00 0.00 H new ATOM 1503 N GLU A 96 -12.524 -10.273 -13.640 1.00 0.00 N ATOM 1504 CA GLU A 96 -13.051 -10.163 -12.290 1.00 0.00 C ATOM 1505 C GLU A 96 -14.000 -8.966 -12.186 1.00 0.00 C ATOM 1506 O GLU A 96 -13.677 -7.872 -12.643 1.00 0.00 O ATOM 1507 CB GLU A 96 -11.919 -10.056 -11.265 1.00 0.00 C ATOM 1508 CG GLU A 96 -12.129 -11.036 -10.111 1.00 0.00 C ATOM 1509 CD GLU A 96 -11.174 -10.735 -8.955 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -10.703 -9.579 -8.894 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -10.934 -11.670 -8.158 1.00 0.00 O ATOM 0 H GLU A 96 -12.923 -9.615 -14.309 1.00 0.00 H new ATOM 0 HA GLU A 96 -13.614 -11.069 -12.067 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -10.964 -10.259 -11.750 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.869 -9.038 -10.878 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -13.160 -10.976 -9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -11.971 -12.056 -10.462 1.00 0.00 H new ATOM 1518 N SER A 97 -15.153 -9.219 -11.584 1.00 0.00 N ATOM 1519 CA SER A 97 -16.152 -8.176 -11.414 1.00 0.00 C ATOM 1520 C SER A 97 -16.260 -7.789 -9.938 1.00 0.00 C ATOM 1521 O SER A 97 -15.820 -8.535 -9.064 1.00 0.00 O ATOM 1522 CB SER A 97 -17.514 -8.627 -11.947 1.00 0.00 C ATOM 1523 OG SER A 97 -17.509 -8.780 -13.363 1.00 0.00 O ATOM 0 H SER A 97 -15.418 -10.129 -11.208 1.00 0.00 H new ATOM 0 HA SER A 97 -15.838 -7.304 -11.988 1.00 0.00 H new ATOM 0 HB2 SER A 97 -17.790 -9.573 -11.481 1.00 0.00 H new ATOM 0 HB3 SER A 97 -18.273 -7.898 -11.664 1.00 0.00 H new ATOM 0 HG SER A 97 -18.395 -9.070 -13.664 1.00 0.00 H new ATOM 1529 N ILE A 98 -16.847 -6.625 -9.705 1.00 0.00 N ATOM 1530 CA ILE A 98 -17.020 -6.131 -8.350 1.00 0.00 C ATOM 1531 C ILE A 98 -18.322 -5.334 -8.263 1.00 0.00 C ATOM 1532 O ILE A 98 -18.870 -4.921 -9.284 1.00 0.00 O ATOM 1533 CB ILE A 98 -15.785 -5.343 -7.907 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -15.693 -5.279 -6.381 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -15.768 -3.950 -8.542 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -14.240 -5.376 -5.915 1.00 0.00 C ATOM 0 H ILE A 98 -17.209 -6.009 -10.433 1.00 0.00 H new ATOM 0 HA ILE A 98 -17.109 -6.962 -7.650 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.898 -5.869 -8.260 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -16.131 -4.346 -6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -16.274 -6.091 -5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -14.881 -3.410 -8.211 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.751 -4.045 -9.628 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -16.660 -3.401 -8.240 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -14.203 -5.328 -4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.812 -6.320 -6.251 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.667 -4.549 -6.334 1.00 0.00 H new ATOM 1548 N ILE A 99 -18.781 -5.142 -7.034 1.00 0.00 N ATOM 1549 CA ILE A 99 -20.009 -4.402 -6.802 1.00 0.00 C ATOM 1550 C ILE A 99 -19.681 -2.916 -6.636 1.00 0.00 C ATOM 1551 O ILE A 99 -18.558 -2.561 -6.281 1.00 0.00 O ATOM 1552 CB ILE A 99 -20.778 -4.997 -5.620 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -19.995 -4.829 -4.318 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -21.145 -6.458 -5.886 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -20.647 -3.780 -3.416 1.00 0.00 C ATOM 0 H ILE A 99 -18.324 -5.486 -6.190 1.00 0.00 H new ATOM 0 HA ILE A 99 -20.674 -4.488 -7.662 1.00 0.00 H new ATOM 0 HB ILE A 99 -21.712 -4.447 -5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -19.945 -5.784 -3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -18.970 -4.534 -4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -21.691 -6.858 -5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -21.770 -6.520 -6.777 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -20.236 -7.039 -6.040 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -20.069 -3.681 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -20.673 -2.821 -3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -21.664 -4.090 -3.174 1.00 0.00 H new ATOM 1567 N THR A 100 -20.681 -2.088 -6.903 1.00 0.00 N ATOM 1568 CA THR A 100 -20.512 -0.650 -6.789 1.00 0.00 C ATOM 1569 C THR A 100 -21.873 0.050 -6.822 1.00 0.00 C ATOM 1570 O THR A 100 -22.856 -0.519 -7.291 1.00 0.00 O ATOM 1571 CB THR A 100 -19.566 -0.195 -7.901 1.00 0.00 C ATOM 1572 OG1 THR A 100 -19.413 1.204 -7.676 1.00 0.00 O ATOM 1573 CG2 THR A 100 -20.208 -0.280 -9.288 1.00 0.00 C ATOM 0 H THR A 100 -21.611 -2.386 -7.198 1.00 0.00 H new ATOM 0 HA THR A 100 -20.065 -0.378 -5.833 1.00 0.00 H new ATOM 0 HB THR A 100 -18.663 -0.805 -7.881 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.812 1.580 -8.353 1.00 0.00 H new ATOM 0 HG21 THR A 100 -19.494 0.054 -10.041 1.00 0.00 H new ATOM 0 HG22 THR A 100 -20.495 -1.311 -9.493 1.00 0.00 H new ATOM 0 HG23 THR A 100 -21.093 0.356 -9.319 1.00 0.00 H new ATOM 1581 N THR A 101 -21.883 1.276 -6.318 1.00 0.00 N ATOM 1582 CA THR A 101 -23.106 2.061 -6.285 1.00 0.00 C ATOM 1583 C THR A 101 -22.940 3.343 -7.104 1.00 0.00 C ATOM 1584 O THR A 101 -21.818 3.755 -7.397 1.00 0.00 O ATOM 1585 CB THR A 101 -23.464 2.316 -4.820 1.00 0.00 C ATOM 1586 OG1 THR A 101 -24.734 2.959 -4.880 1.00 0.00 O ATOM 1587 CG2 THR A 101 -22.551 3.357 -4.168 1.00 0.00 C ATOM 0 H THR A 101 -21.064 1.745 -5.930 1.00 0.00 H new ATOM 0 HA THR A 101 -23.934 1.524 -6.748 1.00 0.00 H new ATOM 0 HB THR A 101 -23.405 1.381 -4.264 1.00 0.00 H new ATOM 0 HG1 THR A 101 -25.043 3.159 -3.972 1.00 0.00 H new ATOM 0 HG21 THR A 101 -22.847 3.501 -3.129 1.00 0.00 H new ATOM 0 HG22 THR A 101 -21.518 3.010 -4.206 1.00 0.00 H new ATOM 0 HG23 THR A 101 -22.636 4.302 -4.704 1.00 0.00 H new ATOM 1595 N ILE A 102 -24.072 3.937 -7.449 1.00 0.00 N ATOM 1596 CA ILE A 102 -24.065 5.164 -8.228 1.00 0.00 C ATOM 1597 C ILE A 102 -24.992 6.187 -7.567 1.00 0.00 C ATOM 1598 O ILE A 102 -26.008 5.821 -6.977 1.00 0.00 O ATOM 1599 CB ILE A 102 -24.414 4.873 -9.689 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -24.068 6.066 -10.582 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -25.878 4.455 -9.831 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -22.572 6.100 -10.898 1.00 0.00 C ATOM 0 H ILE A 102 -25.000 3.592 -7.204 1.00 0.00 H new ATOM 0 HA ILE A 102 -23.066 5.600 -8.243 1.00 0.00 H new ATOM 0 HB ILE A 102 -23.807 4.032 -10.025 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -24.638 6.008 -11.509 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -24.360 6.992 -10.087 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -26.099 4.254 -10.879 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -26.058 3.555 -9.243 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -26.522 5.258 -9.472 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -22.354 6.958 -11.534 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -22.006 6.183 -9.970 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -22.288 5.183 -11.415 1.00 0.00 H new ATOM 1614 N ASP A 103 -24.609 7.450 -7.687 1.00 0.00 N ATOM 1615 CA ASP A 103 -25.393 8.528 -7.109 1.00 0.00 C ATOM 1616 C ASP A 103 -25.333 9.748 -8.032 1.00 0.00 C ATOM 1617 O ASP A 103 -26.367 10.279 -8.433 1.00 0.00 O ATOM 1618 CB ASP A 103 -24.841 8.940 -5.743 1.00 0.00 C ATOM 1619 CG ASP A 103 -25.888 9.073 -4.636 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -26.750 8.172 -4.559 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -25.802 10.073 -3.891 1.00 0.00 O ATOM 0 H ASP A 103 -23.766 7.751 -8.176 1.00 0.00 H new ATOM 0 HA ASP A 103 -26.417 8.175 -6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -24.097 8.207 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -24.324 9.893 -5.850 1.00 0.00 H new