USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 674 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 66 LYS NZ :NH3+ 177:sc= 1.98 (180deg=1.27) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0.43 USER MOD Set 2.1: A 23 THR OG1 : rot -90:sc= -0.0646 USER MOD Set 2.2: A 31 MET CE :methyl -178:sc= 0 (180deg=-0.00312) USER MOD Set 3.1: A 5 SER OG : rot 130:sc= 0.791 USER MOD Set 3.2: A 18 GLN : amide:sc= 0.979 K(o=1.8,f=0.23) USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0408) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 33:sc= 0.365 USER MOD Single : A 17 MET CE :methyl -159:sc= -0.347 (180deg=-0.976) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -162:sc= -0.0761 (180deg=-0.492) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 72:sc= 0.0712 USER MOD Single : A 45 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.18) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= -0.101 (180deg=-0.476) USER MOD Single : A 58 LYS NZ :NH3+ -161:sc= -0.0601 (180deg=-0.457) USER MOD Single : A 71 TYR OH : rot -140:sc= 0.691 USER MOD Single : A 72 MET CE :methyl 161:sc= -0.189 (180deg=-0.808) USER MOD Single : A 75 ASN : amide:sc= -0.571 X(o=-0.57,f=-0.3) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 161:sc= -4.24! (180deg=-4.88!) USER MOD Single : A 81 TYR OH : rot 34:sc= 0.00531 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -164:sc= 1.22 (180deg=1.11) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 2 14.467 -7.464 2.794 1.00 1.00 N ATOM 107 CA VAL A 2 13.148 -7.962 2.451 1.00 1.00 C ATOM 108 C VAL A 2 12.190 -6.793 2.268 1.00 1.00 C ATOM 109 O VAL A 2 11.943 -6.026 3.203 1.00 1.00 O ATOM 110 CB VAL A 2 12.594 -8.943 3.513 1.00 1.00 C ATOM 111 CG1 VAL A 2 13.286 -10.291 3.405 1.00 1.00 C ATOM 112 CG2 VAL A 2 12.758 -8.384 4.921 1.00 1.00 C ATOM 0 HA VAL A 2 13.239 -8.518 1.518 1.00 1.00 H new ATOM 0 HB VAL A 2 11.529 -9.074 3.320 1.00 1.00 H new ATOM 0 HG11 VAL A 2 12.884 -10.968 4.159 1.00 1.00 H new ATOM 0 HG12 VAL A 2 13.115 -10.710 2.413 1.00 1.00 H new ATOM 0 HG13 VAL A 2 14.357 -10.164 3.565 1.00 1.00 H new ATOM 0 HG21 VAL A 2 12.360 -9.096 5.644 1.00 1.00 H new ATOM 0 HG22 VAL A 2 13.815 -8.214 5.124 1.00 1.00 H new ATOM 0 HG23 VAL A 2 12.217 -7.442 5.004 1.00 1.00 H new ATOM 122 N ALA A 3 11.678 -6.635 1.058 1.00 1.00 N ATOM 123 CA ALA A 3 10.777 -5.535 0.758 1.00 1.00 C ATOM 124 C ALA A 3 9.615 -5.997 -0.107 1.00 1.00 C ATOM 125 O ALA A 3 9.783 -6.804 -1.023 1.00 1.00 O ATOM 126 CB ALA A 3 11.524 -4.393 0.081 1.00 1.00 C ATOM 0 H ALA A 3 11.871 -7.253 0.270 1.00 1.00 H new ATOM 0 HA ALA A 3 10.372 -5.171 1.702 1.00 1.00 H new ATOM 0 HB1 ALA A 3 10.829 -3.581 -0.134 1.00 1.00 H new ATOM 0 HB2 ALA A 3 12.312 -4.031 0.742 1.00 1.00 H new ATOM 0 HB3 ALA A 3 11.966 -4.749 -0.850 1.00 1.00 H new ATOM 132 N LEU A 4 8.438 -5.485 0.205 1.00 1.00 N ATOM 133 CA LEU A 4 7.223 -5.818 -0.510 1.00 1.00 C ATOM 134 C LEU A 4 6.985 -4.813 -1.628 1.00 1.00 C ATOM 135 O LEU A 4 6.621 -3.663 -1.376 1.00 1.00 O ATOM 136 CB LEU A 4 6.029 -5.835 0.453 1.00 1.00 C ATOM 137 CG LEU A 4 5.972 -7.018 1.431 1.00 1.00 C ATOM 138 CD1 LEU A 4 7.166 -7.037 2.369 1.00 1.00 C ATOM 139 CD2 LEU A 4 4.682 -6.979 2.232 1.00 1.00 C ATOM 0 H LEU A 4 8.299 -4.822 0.967 1.00 1.00 H new ATOM 0 HA LEU A 4 7.331 -6.811 -0.947 1.00 1.00 H new ATOM 0 HB2 LEU A 4 6.040 -4.911 1.031 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.112 -5.831 -0.136 1.00 1.00 H new ATOM 0 HG LEU A 4 6.002 -7.932 0.838 1.00 1.00 H new ATOM 0 HD11 LEU A 4 7.085 -7.890 3.043 1.00 1.00 H new ATOM 0 HD12 LEU A 4 8.084 -7.120 1.788 1.00 1.00 H new ATOM 0 HD13 LEU A 4 7.187 -6.115 2.950 1.00 1.00 H new ATOM 0 HD21 LEU A 4 4.656 -7.823 2.921 1.00 1.00 H new ATOM 0 HD22 LEU A 4 4.633 -6.048 2.797 1.00 1.00 H new ATOM 0 HD23 LEU A 4 3.831 -7.037 1.554 1.00 1.00 H new ATOM 151 N SER A 5 7.215 -5.237 -2.858 1.00 1.00 N ATOM 152 CA SER A 5 7.054 -4.357 -4.004 1.00 1.00 C ATOM 153 C SER A 5 5.715 -4.610 -4.687 1.00 1.00 C ATOM 154 O SER A 5 5.551 -5.591 -5.407 1.00 1.00 O ATOM 155 CB SER A 5 8.204 -4.581 -4.983 1.00 1.00 C ATOM 156 OG SER A 5 9.452 -4.496 -4.311 1.00 1.00 O ATOM 0 H SER A 5 7.514 -6.184 -3.090 1.00 1.00 H new ATOM 0 HA SER A 5 7.070 -3.321 -3.664 1.00 1.00 H new ATOM 0 HB2 SER A 5 8.104 -5.559 -5.454 1.00 1.00 H new ATOM 0 HB3 SER A 5 8.162 -3.838 -5.779 1.00 1.00 H new ATOM 0 HG SER A 5 9.998 -5.278 -4.535 1.00 1.00 H new ATOM 162 N LEU A 6 4.759 -3.727 -4.456 1.00 1.00 N ATOM 163 CA LEU A 6 3.418 -3.910 -4.993 1.00 1.00 C ATOM 164 C LEU A 6 3.086 -2.844 -6.026 1.00 1.00 C ATOM 165 O LEU A 6 3.798 -1.846 -6.166 1.00 1.00 O ATOM 166 CB LEU A 6 2.365 -3.874 -3.875 1.00 1.00 C ATOM 167 CG LEU A 6 2.259 -5.117 -3.003 1.00 1.00 C ATOM 168 CD1 LEU A 6 3.399 -5.187 -1.999 1.00 1.00 C ATOM 169 CD2 LEU A 6 0.916 -5.152 -2.294 1.00 1.00 C ATOM 0 H LEU A 6 4.883 -2.879 -3.903 1.00 1.00 H new ATOM 0 HA LEU A 6 3.398 -4.888 -5.473 1.00 1.00 H new ATOM 0 HB2 LEU A 6 2.581 -3.022 -3.230 1.00 1.00 H new ATOM 0 HB3 LEU A 6 1.391 -3.692 -4.329 1.00 1.00 H new ATOM 0 HG LEU A 6 2.335 -5.991 -3.650 1.00 1.00 H new ATOM 0 HD11 LEU A 6 3.294 -6.086 -1.392 1.00 1.00 H new ATOM 0 HD12 LEU A 6 4.350 -5.217 -2.530 1.00 1.00 H new ATOM 0 HD13 LEU A 6 3.371 -4.308 -1.354 1.00 1.00 H new ATOM 0 HD21 LEU A 6 0.855 -6.047 -1.674 1.00 1.00 H new ATOM 0 HD22 LEU A 6 0.813 -4.267 -1.665 1.00 1.00 H new ATOM 0 HD23 LEU A 6 0.115 -5.167 -3.033 1.00 1.00 H new ATOM 181 N LYS A 7 2.006 -3.081 -6.754 1.00 1.00 N ATOM 182 CA LYS A 7 1.448 -2.093 -7.659 1.00 1.00 C ATOM 183 C LYS A 7 0.396 -1.286 -6.912 1.00 1.00 C ATOM 184 O LYS A 7 -0.694 -1.788 -6.643 1.00 1.00 O ATOM 185 CB LYS A 7 0.802 -2.766 -8.877 1.00 1.00 C ATOM 186 CG LYS A 7 1.770 -3.530 -9.768 1.00 1.00 C ATOM 187 CD LYS A 7 2.802 -2.609 -10.397 1.00 1.00 C ATOM 188 CE LYS A 7 3.529 -3.287 -11.549 1.00 1.00 C ATOM 189 NZ LYS A 7 4.183 -4.557 -11.137 1.00 1.00 N ATOM 0 H LYS A 7 1.494 -3.963 -6.733 1.00 1.00 H new ATOM 0 HA LYS A 7 2.250 -1.444 -8.012 1.00 1.00 H new ATOM 0 HB2 LYS A 7 0.030 -3.453 -8.529 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.304 -2.003 -9.475 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.276 -4.297 -9.182 1.00 1.00 H new ATOM 0 HG3 LYS A 7 1.214 -4.043 -10.553 1.00 1.00 H new ATOM 0 HD2 LYS A 7 2.312 -1.704 -10.757 1.00 1.00 H new ATOM 0 HD3 LYS A 7 3.524 -2.301 -9.641 1.00 1.00 H new ATOM 0 HE2 LYS A 7 2.821 -3.490 -12.353 1.00 1.00 H new ATOM 0 HE3 LYS A 7 4.281 -2.608 -11.951 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 4.801 -4.893 -11.903 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 4.750 -4.394 -10.280 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 3.456 -5.274 -10.939 1.00 1.00 H new ATOM 203 N ILE A 8 0.725 -0.057 -6.550 1.00 1.00 N ATOM 204 CA ILE A 8 -0.186 0.759 -5.767 1.00 1.00 C ATOM 205 C ILE A 8 -0.922 1.751 -6.658 1.00 1.00 C ATOM 206 O ILE A 8 -0.352 2.751 -7.093 1.00 1.00 O ATOM 207 CB ILE A 8 0.548 1.529 -4.648 1.00 1.00 C ATOM 208 CG1 ILE A 8 1.462 0.590 -3.850 1.00 1.00 C ATOM 209 CG2 ILE A 8 -0.462 2.200 -3.727 1.00 1.00 C ATOM 210 CD1 ILE A 8 0.731 -0.550 -3.172 1.00 1.00 C ATOM 0 H ILE A 8 1.609 0.394 -6.784 1.00 1.00 H new ATOM 0 HA ILE A 8 -0.902 0.079 -5.305 1.00 1.00 H new ATOM 0 HB ILE A 8 1.170 2.297 -5.107 1.00 1.00 H new ATOM 0 HG12 ILE A 8 2.216 0.177 -4.520 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.991 1.170 -3.094 1.00 1.00 H new ATOM 0 HG21 ILE A 8 0.065 2.741 -2.941 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.071 2.898 -4.302 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -1.104 1.442 -3.278 1.00 1.00 H new ATOM 0 HD11 ILE A 8 1.445 -1.168 -2.629 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -0.004 -0.148 -2.475 1.00 1.00 H new ATOM 0 HD13 ILE A 8 0.225 -1.156 -3.924 1.00 1.00 H new ATOM 222 N SER A 9 -2.182 1.467 -6.936 1.00 1.00 N ATOM 223 CA SER A 9 -2.980 2.338 -7.781 1.00 1.00 C ATOM 224 C SER A 9 -3.690 3.391 -6.941 1.00 1.00 C ATOM 225 O SER A 9 -4.639 3.090 -6.219 1.00 1.00 O ATOM 226 CB SER A 9 -3.995 1.528 -8.590 1.00 1.00 C ATOM 227 OG SER A 9 -4.674 2.352 -9.521 1.00 1.00 O ATOM 0 H SER A 9 -2.674 0.643 -6.590 1.00 1.00 H new ATOM 0 HA SER A 9 -2.311 2.842 -8.478 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.485 0.721 -9.117 1.00 1.00 H new ATOM 0 HB3 SER A 9 -4.715 1.064 -7.916 1.00 1.00 H new ATOM 0 HG SER A 9 -5.316 1.813 -10.028 1.00 1.00 H new ATOM 233 N ILE A 10 -3.205 4.620 -7.023 1.00 1.00 N ATOM 234 CA ILE A 10 -3.818 5.733 -6.321 1.00 1.00 C ATOM 235 C ILE A 10 -5.015 6.234 -7.118 1.00 1.00 C ATOM 236 O ILE A 10 -4.869 7.049 -8.037 1.00 1.00 O ATOM 237 CB ILE A 10 -2.812 6.885 -6.108 1.00 1.00 C ATOM 238 CG1 ILE A 10 -1.600 6.393 -5.314 1.00 1.00 C ATOM 239 CG2 ILE A 10 -3.477 8.057 -5.394 1.00 1.00 C ATOM 240 CD1 ILE A 10 -0.439 7.363 -5.323 1.00 1.00 C ATOM 0 H ILE A 10 -2.383 4.871 -7.573 1.00 1.00 H new ATOM 0 HA ILE A 10 -4.143 5.385 -5.340 1.00 1.00 H new ATOM 0 HB ILE A 10 -2.472 7.229 -7.085 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -1.901 6.209 -4.283 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -1.269 5.439 -5.725 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -2.750 8.857 -5.254 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -4.310 8.424 -5.994 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -3.847 7.729 -4.423 1.00 1.00 H new ATOM 0 HD11 ILE A 10 0.385 6.950 -4.741 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -0.111 7.529 -6.349 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -0.753 8.310 -4.885 1.00 1.00 H new ATOM 252 N GLY A 11 -6.189 5.711 -6.794 1.00 1.00 N ATOM 253 CA GLY A 11 -7.388 6.042 -7.539 1.00 1.00 C ATOM 254 C GLY A 11 -7.446 5.301 -8.862 1.00 1.00 C ATOM 255 O GLY A 11 -8.410 4.589 -9.147 1.00 1.00 O ATOM 0 H GLY A 11 -6.333 5.059 -6.023 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -8.267 5.794 -6.944 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -7.419 7.116 -7.721 1.00 1.00 H new ATOM 259 N ASN A 12 -6.399 5.467 -9.657 1.00 1.00 N ATOM 260 CA ASN A 12 -6.278 4.803 -10.949 1.00 1.00 C ATOM 261 C ASN A 12 -4.847 4.932 -11.461 1.00 1.00 C ATOM 262 O ASN A 12 -4.402 4.167 -12.317 1.00 1.00 O ATOM 263 CB ASN A 12 -7.255 5.400 -11.963 1.00 1.00 C ATOM 264 CG ASN A 12 -7.317 4.603 -13.250 1.00 1.00 C ATOM 265 OD1 ASN A 12 -6.580 4.866 -14.202 1.00 1.00 O ATOM 266 ND2 ASN A 12 -8.197 3.616 -13.286 1.00 1.00 N ATOM 0 H ASN A 12 -5.607 6.067 -9.425 1.00 1.00 H new ATOM 0 HA ASN A 12 -6.523 3.749 -10.822 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -8.250 5.446 -11.520 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -6.959 6.424 -12.188 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -8.284 3.040 -14.124 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -8.789 3.431 -12.476 1.00 1.00 H new ATOM 273 N VAL A 13 -4.135 5.923 -10.937 1.00 1.00 N ATOM 274 CA VAL A 13 -2.729 6.105 -11.252 1.00 1.00 C ATOM 275 C VAL A 13 -1.891 5.154 -10.410 1.00 1.00 C ATOM 276 O VAL A 13 -1.704 5.370 -9.211 1.00 1.00 O ATOM 277 CB VAL A 13 -2.279 7.558 -10.995 1.00 1.00 C ATOM 278 CG1 VAL A 13 -0.829 7.758 -11.402 1.00 1.00 C ATOM 279 CG2 VAL A 13 -3.184 8.534 -11.732 1.00 1.00 C ATOM 0 H VAL A 13 -4.513 6.614 -10.289 1.00 1.00 H new ATOM 0 HA VAL A 13 -2.587 5.888 -12.311 1.00 1.00 H new ATOM 0 HB VAL A 13 -2.358 7.754 -9.926 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -0.536 8.790 -11.211 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.193 7.088 -10.824 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -0.716 7.540 -12.464 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -2.852 9.554 -11.540 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -3.140 8.334 -12.803 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -4.210 8.414 -11.383 1.00 1.00 H new ATOM 289 N VAL A 14 -1.400 4.100 -11.033 1.00 1.00 N ATOM 290 CA VAL A 14 -0.690 3.060 -10.314 1.00 1.00 C ATOM 291 C VAL A 14 0.814 3.309 -10.310 1.00 1.00 C ATOM 292 O VAL A 14 1.442 3.492 -11.354 1.00 1.00 O ATOM 293 CB VAL A 14 -1.007 1.648 -10.875 1.00 1.00 C ATOM 294 CG1 VAL A 14 -0.726 1.559 -12.367 1.00 1.00 C ATOM 295 CG2 VAL A 14 -0.229 0.579 -10.124 1.00 1.00 C ATOM 0 H VAL A 14 -1.480 3.941 -12.037 1.00 1.00 H new ATOM 0 HA VAL A 14 -1.043 3.095 -9.283 1.00 1.00 H new ATOM 0 HB VAL A 14 -2.072 1.473 -10.726 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -0.960 0.555 -12.722 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -1.343 2.285 -12.897 1.00 1.00 H new ATOM 0 HG13 VAL A 14 0.327 1.773 -12.552 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -0.468 -0.402 -10.535 1.00 1.00 H new ATOM 0 HG22 VAL A 14 0.840 0.766 -10.229 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -0.500 0.606 -9.069 1.00 1.00 H new ATOM 305 N LYS A 15 1.372 3.345 -9.112 1.00 1.00 N ATOM 306 CA LYS A 15 2.805 3.473 -8.920 1.00 1.00 C ATOM 307 C LYS A 15 3.307 2.243 -8.179 1.00 1.00 C ATOM 308 O LYS A 15 2.668 1.788 -7.231 1.00 1.00 O ATOM 309 CB LYS A 15 3.126 4.729 -8.100 1.00 1.00 C ATOM 310 CG LYS A 15 2.582 6.023 -8.691 1.00 1.00 C ATOM 311 CD LYS A 15 3.343 6.445 -9.938 1.00 1.00 C ATOM 312 CE LYS A 15 2.798 7.751 -10.496 1.00 1.00 C ATOM 313 NZ LYS A 15 3.602 8.256 -11.638 1.00 1.00 N ATOM 0 H LYS A 15 0.842 3.286 -8.243 1.00 1.00 H new ATOM 0 HA LYS A 15 3.294 3.558 -9.891 1.00 1.00 H new ATOM 0 HB2 LYS A 15 2.722 4.605 -7.095 1.00 1.00 H new ATOM 0 HB3 LYS A 15 4.208 4.816 -8.000 1.00 1.00 H new ATOM 0 HG2 LYS A 15 1.528 5.894 -8.936 1.00 1.00 H new ATOM 0 HG3 LYS A 15 2.641 6.815 -7.945 1.00 1.00 H new ATOM 0 HD2 LYS A 15 4.401 6.560 -9.701 1.00 1.00 H new ATOM 0 HD3 LYS A 15 3.269 5.664 -10.695 1.00 1.00 H new ATOM 0 HE2 LYS A 15 1.767 7.604 -10.818 1.00 1.00 H new ATOM 0 HE3 LYS A 15 2.781 8.502 -9.706 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 3.192 9.147 -11.984 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 4.580 8.423 -11.327 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 3.597 7.552 -12.404 1.00 1.00 H new ATOM 327 N THR A 16 4.424 1.689 -8.600 1.00 1.00 N ATOM 328 CA THR A 16 4.963 0.532 -7.917 1.00 1.00 C ATOM 329 C THR A 16 5.891 0.988 -6.792 1.00 1.00 C ATOM 330 O THR A 16 6.876 1.696 -7.016 1.00 1.00 O ATOM 331 CB THR A 16 5.673 -0.446 -8.887 1.00 1.00 C ATOM 332 OG1 THR A 16 6.036 -1.653 -8.200 1.00 1.00 O ATOM 333 CG2 THR A 16 6.911 0.175 -9.520 1.00 1.00 C ATOM 0 H THR A 16 4.969 2.014 -9.398 1.00 1.00 H new ATOM 0 HA THR A 16 4.133 -0.027 -7.484 1.00 1.00 H new ATOM 0 HB THR A 16 4.968 -0.676 -9.686 1.00 1.00 H new ATOM 0 HG1 THR A 16 5.372 -1.847 -7.506 1.00 1.00 H new ATOM 0 HG21 THR A 16 7.376 -0.546 -10.192 1.00 1.00 H new ATOM 0 HG22 THR A 16 6.625 1.064 -10.083 1.00 1.00 H new ATOM 0 HG23 THR A 16 7.619 0.452 -8.739 1.00 1.00 H new ATOM 341 N MET A 17 5.541 0.618 -5.573 1.00 1.00 N ATOM 342 CA MET A 17 6.280 1.059 -4.401 1.00 1.00 C ATOM 343 C MET A 17 6.828 -0.129 -3.634 1.00 1.00 C ATOM 344 O MET A 17 6.211 -1.196 -3.598 1.00 1.00 O ATOM 345 CB MET A 17 5.380 1.900 -3.490 1.00 1.00 C ATOM 346 CG MET A 17 5.022 3.261 -4.065 1.00 1.00 C ATOM 347 SD MET A 17 6.432 4.387 -4.123 1.00 1.00 S ATOM 348 CE MET A 17 6.822 4.521 -2.378 1.00 1.00 C ATOM 0 H MET A 17 4.747 0.011 -5.367 1.00 1.00 H new ATOM 0 HA MET A 17 7.117 1.672 -4.736 1.00 1.00 H new ATOM 0 HB2 MET A 17 4.462 1.347 -3.292 1.00 1.00 H new ATOM 0 HB3 MET A 17 5.880 2.041 -2.532 1.00 1.00 H new ATOM 0 HG2 MET A 17 4.624 3.132 -5.071 1.00 1.00 H new ATOM 0 HG3 MET A 17 4.230 3.708 -3.464 1.00 1.00 H new ATOM 0 HE1 MET A 17 7.396 5.431 -2.202 1.00 1.00 H new ATOM 0 HE2 MET A 17 5.898 4.557 -1.800 1.00 1.00 H new ATOM 0 HE3 MET A 17 7.409 3.656 -2.069 1.00 1.00 H new ATOM 358 N GLN A 18 7.991 0.056 -3.031 1.00 1.00 N ATOM 359 CA GLN A 18 8.614 -0.993 -2.249 1.00 1.00 C ATOM 360 C GLN A 18 8.497 -0.674 -0.768 1.00 1.00 C ATOM 361 O GLN A 18 9.144 0.245 -0.266 1.00 1.00 O ATOM 362 CB GLN A 18 10.084 -1.161 -2.631 1.00 1.00 C ATOM 363 CG GLN A 18 10.314 -1.301 -4.126 1.00 1.00 C ATOM 364 CD GLN A 18 11.721 -1.752 -4.455 1.00 1.00 C ATOM 365 OE1 GLN A 18 12.633 -0.939 -4.596 1.00 1.00 O ATOM 366 NE2 GLN A 18 11.902 -3.054 -4.601 1.00 1.00 N ATOM 0 H GLN A 18 8.522 0.926 -3.070 1.00 1.00 H new ATOM 0 HA GLN A 18 8.097 -1.929 -2.459 1.00 1.00 H new ATOM 0 HB2 GLN A 18 10.646 -0.302 -2.265 1.00 1.00 H new ATOM 0 HB3 GLN A 18 10.483 -2.041 -2.127 1.00 1.00 H new ATOM 0 HG2 GLN A 18 9.601 -2.017 -4.535 1.00 1.00 H new ATOM 0 HG3 GLN A 18 10.119 -0.345 -4.612 1.00 1.00 H new ATOM 0 HE21 GLN A 18 11.119 -3.695 -4.475 1.00 1.00 H new ATOM 0 HE22 GLN A 18 12.825 -3.417 -4.839 1.00 1.00 H new ATOM 375 N PHE A 19 7.646 -1.415 -0.085 1.00 1.00 N ATOM 376 CA PHE A 19 7.463 -1.250 1.346 1.00 1.00 C ATOM 377 C PHE A 19 8.233 -2.337 2.081 1.00 1.00 C ATOM 378 O PHE A 19 8.892 -3.163 1.456 1.00 1.00 O ATOM 379 CB PHE A 19 5.981 -1.348 1.712 1.00 1.00 C ATOM 380 CG PHE A 19 5.077 -0.420 0.948 1.00 1.00 C ATOM 381 CD1 PHE A 19 4.495 -0.828 -0.242 1.00 1.00 C ATOM 382 CD2 PHE A 19 4.791 0.847 1.430 1.00 1.00 C ATOM 383 CE1 PHE A 19 3.648 0.012 -0.937 1.00 1.00 C ATOM 384 CE2 PHE A 19 3.945 1.692 0.736 1.00 1.00 C ATOM 385 CZ PHE A 19 3.373 1.273 -0.449 1.00 1.00 C ATOM 0 H PHE A 19 7.066 -2.143 -0.501 1.00 1.00 H new ATOM 0 HA PHE A 19 7.834 -0.267 1.636 1.00 1.00 H new ATOM 0 HB2 PHE A 19 5.648 -2.373 1.548 1.00 1.00 H new ATOM 0 HB3 PHE A 19 5.871 -1.144 2.777 1.00 1.00 H new ATOM 0 HD1 PHE A 19 4.706 -1.814 -0.630 1.00 1.00 H new ATOM 0 HD2 PHE A 19 5.234 1.178 2.358 1.00 1.00 H new ATOM 0 HE1 PHE A 19 3.201 -0.318 -1.863 1.00 1.00 H new ATOM 0 HE2 PHE A 19 3.732 2.679 1.120 1.00 1.00 H new ATOM 0 HZ PHE A 19 2.712 1.931 -0.993 1.00 1.00 H new ATOM 395 N GLU A 20 8.149 -2.345 3.397 1.00 1.00 N ATOM 396 CA GLU A 20 8.757 -3.406 4.181 1.00 1.00 C ATOM 397 C GLU A 20 7.676 -4.209 4.889 1.00 1.00 C ATOM 398 O GLU A 20 6.569 -3.719 5.101 1.00 1.00 O ATOM 399 CB GLU A 20 9.752 -2.837 5.194 1.00 1.00 C ATOM 400 CG GLU A 20 10.933 -2.130 4.554 1.00 1.00 C ATOM 401 CD GLU A 20 12.056 -1.880 5.535 1.00 1.00 C ATOM 402 OE1 GLU A 20 11.949 -0.936 6.342 1.00 1.00 O ATOM 403 OE2 GLU A 20 13.047 -2.641 5.516 1.00 1.00 O ATOM 0 H GLU A 20 7.668 -1.632 3.946 1.00 1.00 H new ATOM 0 HA GLU A 20 9.305 -4.064 3.507 1.00 1.00 H new ATOM 0 HB2 GLU A 20 9.232 -2.138 5.848 1.00 1.00 H new ATOM 0 HB3 GLU A 20 10.121 -3.647 5.823 1.00 1.00 H new ATOM 0 HG2 GLU A 20 11.306 -2.730 3.724 1.00 1.00 H new ATOM 0 HG3 GLU A 20 10.601 -1.180 4.136 1.00 1.00 H new ATOM 410 N PRO A 21 7.977 -5.459 5.256 1.00 1.00 N ATOM 411 CA PRO A 21 7.011 -6.332 5.923 1.00 1.00 C ATOM 412 C PRO A 21 6.629 -5.796 7.295 1.00 1.00 C ATOM 413 O PRO A 21 5.518 -6.015 7.781 1.00 1.00 O ATOM 414 CB PRO A 21 7.750 -7.670 6.049 1.00 1.00 C ATOM 415 CG PRO A 21 9.197 -7.334 5.926 1.00 1.00 C ATOM 416 CD PRO A 21 9.276 -6.117 5.050 1.00 1.00 C ATOM 0 HA PRO A 21 6.076 -6.412 5.369 1.00 1.00 H new ATOM 0 HB2 PRO A 21 7.537 -8.148 7.005 1.00 1.00 H new ATOM 0 HB3 PRO A 21 7.440 -8.365 5.269 1.00 1.00 H new ATOM 0 HG2 PRO A 21 9.635 -7.137 6.905 1.00 1.00 H new ATOM 0 HG3 PRO A 21 9.753 -8.164 5.489 1.00 1.00 H new ATOM 0 HD2 PRO A 21 10.104 -5.469 5.337 1.00 1.00 H new ATOM 0 HD3 PRO A 21 9.429 -6.385 4.004 1.00 1.00 H new ATOM 424 N SER A 22 7.551 -5.057 7.894 1.00 1.00 N ATOM 425 CA SER A 22 7.354 -4.516 9.224 1.00 1.00 C ATOM 426 C SER A 22 6.623 -3.176 9.166 1.00 1.00 C ATOM 427 O SER A 22 6.309 -2.585 10.203 1.00 1.00 O ATOM 428 CB SER A 22 8.708 -4.342 9.904 1.00 1.00 C ATOM 429 OG SER A 22 9.554 -5.460 9.661 1.00 1.00 O ATOM 0 H SER A 22 8.449 -4.819 7.473 1.00 1.00 H new ATOM 0 HA SER A 22 6.741 -5.211 9.797 1.00 1.00 H new ATOM 0 HB2 SER A 22 9.187 -3.434 9.538 1.00 1.00 H new ATOM 0 HB3 SER A 22 8.565 -4.217 10.977 1.00 1.00 H new ATOM 0 HG SER A 22 10.416 -5.321 10.107 1.00 1.00 H new ATOM 435 N THR A 23 6.364 -2.700 7.954 1.00 1.00 N ATOM 436 CA THR A 23 5.666 -1.442 7.764 1.00 1.00 C ATOM 437 C THR A 23 4.194 -1.592 8.123 1.00 1.00 C ATOM 438 O THR A 23 3.521 -2.509 7.647 1.00 1.00 O ATOM 439 CB THR A 23 5.787 -0.949 6.308 1.00 1.00 C ATOM 440 OG1 THR A 23 7.166 -0.910 5.916 1.00 1.00 O ATOM 441 CG2 THR A 23 5.173 0.432 6.147 1.00 1.00 C ATOM 0 H THR A 23 6.629 -3.170 7.089 1.00 1.00 H new ATOM 0 HA THR A 23 6.130 -0.707 8.422 1.00 1.00 H new ATOM 0 HB THR A 23 5.245 -1.646 5.669 1.00 1.00 H new ATOM 0 HG1 THR A 23 7.541 -0.029 6.125 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.272 0.756 5.111 1.00 1.00 H new ATOM 0 HG22 THR A 23 4.117 0.395 6.416 1.00 1.00 H new ATOM 0 HG23 THR A 23 5.689 1.138 6.798 1.00 1.00 H new ATOM 449 N MET A 24 3.706 -0.708 8.979 1.00 1.00 N ATOM 450 CA MET A 24 2.302 -0.705 9.358 1.00 1.00 C ATOM 451 C MET A 24 1.478 -0.078 8.242 1.00 1.00 C ATOM 452 O MET A 24 1.966 0.796 7.526 1.00 1.00 O ATOM 453 CB MET A 24 2.106 0.071 10.661 1.00 1.00 C ATOM 454 CG MET A 24 2.961 -0.436 11.813 1.00 1.00 C ATOM 455 SD MET A 24 2.539 -2.114 12.319 1.00 1.00 S ATOM 456 CE MET A 24 0.885 -1.863 12.961 1.00 1.00 C ATOM 0 H MET A 24 4.264 0.019 9.426 1.00 1.00 H new ATOM 0 HA MET A 24 1.971 -1.731 9.516 1.00 1.00 H new ATOM 0 HB2 MET A 24 2.336 1.122 10.485 1.00 1.00 H new ATOM 0 HB3 MET A 24 1.056 0.019 10.950 1.00 1.00 H new ATOM 0 HG2 MET A 24 4.011 -0.404 11.521 1.00 1.00 H new ATOM 0 HG3 MET A 24 2.847 0.234 12.665 1.00 1.00 H new ATOM 0 HE1 MET A 24 0.608 -2.707 13.592 1.00 1.00 H new ATOM 0 HE2 MET A 24 0.858 -0.946 13.549 1.00 1.00 H new ATOM 0 HE3 MET A 24 0.181 -1.783 12.132 1.00 1.00 H new ATOM 466 N VAL A 25 0.237 -0.515 8.095 1.00 1.00 N ATOM 467 CA VAL A 25 -0.616 -0.056 7.002 1.00 1.00 C ATOM 468 C VAL A 25 -0.802 1.461 7.014 1.00 1.00 C ATOM 469 O VAL A 25 -0.676 2.109 5.974 1.00 1.00 O ATOM 470 CB VAL A 25 -1.991 -0.747 7.034 1.00 1.00 C ATOM 471 CG1 VAL A 25 -2.920 -0.158 5.983 1.00 1.00 C ATOM 472 CG2 VAL A 25 -1.828 -2.245 6.823 1.00 1.00 C ATOM 0 H VAL A 25 -0.206 -1.189 8.719 1.00 1.00 H new ATOM 0 HA VAL A 25 -0.104 -0.328 6.079 1.00 1.00 H new ATOM 0 HB VAL A 25 -2.440 -0.576 8.013 1.00 1.00 H new ATOM 0 HG11 VAL A 25 -3.885 -0.663 6.026 1.00 1.00 H new ATOM 0 HG12 VAL A 25 -3.059 0.906 6.175 1.00 1.00 H new ATOM 0 HG13 VAL A 25 -2.483 -0.294 4.994 1.00 1.00 H new ATOM 0 HG21 VAL A 25 -2.807 -2.724 6.847 1.00 1.00 H new ATOM 0 HG22 VAL A 25 -1.359 -2.427 5.856 1.00 1.00 H new ATOM 0 HG23 VAL A 25 -1.202 -2.658 7.614 1.00 1.00 H new ATOM 482 N TYR A 26 -1.077 2.032 8.184 1.00 1.00 N ATOM 483 CA TYR A 26 -1.289 3.477 8.287 1.00 1.00 C ATOM 484 C TYR A 26 -0.011 4.225 7.923 1.00 1.00 C ATOM 485 O TYR A 26 -0.048 5.360 7.446 1.00 1.00 O ATOM 486 CB TYR A 26 -1.750 3.873 9.698 1.00 1.00 C ATOM 487 CG TYR A 26 -0.647 3.925 10.737 1.00 1.00 C ATOM 488 CD1 TYR A 26 -0.113 2.764 11.281 1.00 1.00 C ATOM 489 CD2 TYR A 26 -0.144 5.143 11.177 1.00 1.00 C ATOM 490 CE1 TYR A 26 0.892 2.816 12.229 1.00 1.00 C ATOM 491 CE2 TYR A 26 0.861 5.202 12.123 1.00 1.00 C ATOM 492 CZ TYR A 26 1.376 4.036 12.644 1.00 1.00 C ATOM 493 OH TYR A 26 2.379 4.089 13.585 1.00 1.00 O ATOM 0 H TYR A 26 -1.158 1.525 9.066 1.00 1.00 H new ATOM 0 HA TYR A 26 -2.076 3.752 7.585 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -2.228 4.851 9.647 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -2.509 3.164 10.029 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -0.489 1.805 10.958 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -0.546 6.060 10.772 1.00 1.00 H new ATOM 0 HE1 TYR A 26 1.296 1.903 12.642 1.00 1.00 H new ATOM 0 HE2 TYR A 26 1.241 6.158 12.452 1.00 1.00 H new ATOM 0 HH TYR A 26 2.607 5.024 13.767 1.00 1.00 H new ATOM 503 N ASP A 27 1.116 3.561 8.131 1.00 1.00 N ATOM 504 CA ASP A 27 2.418 4.157 7.849 1.00 1.00 C ATOM 505 C ASP A 27 2.731 4.052 6.363 1.00 1.00 C ATOM 506 O ASP A 27 3.277 4.975 5.763 1.00 1.00 O ATOM 507 CB ASP A 27 3.517 3.481 8.668 1.00 1.00 C ATOM 508 CG ASP A 27 4.835 4.223 8.578 1.00 1.00 C ATOM 509 OD1 ASP A 27 5.015 5.206 9.326 1.00 1.00 O ATOM 510 OD2 ASP A 27 5.696 3.830 7.767 1.00 1.00 O ATOM 0 H ASP A 27 1.158 2.609 8.494 1.00 1.00 H new ATOM 0 HA ASP A 27 2.381 5.209 8.132 1.00 1.00 H new ATOM 0 HB2 ASP A 27 3.206 3.421 9.711 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.653 2.458 8.317 1.00 1.00 H new ATOM 515 N ALA A 28 2.361 2.924 5.772 1.00 1.00 N ATOM 516 CA ALA A 28 2.512 2.722 4.337 1.00 1.00 C ATOM 517 C ALA A 28 1.676 3.737 3.566 1.00 1.00 C ATOM 518 O ALA A 28 2.061 4.190 2.487 1.00 1.00 O ATOM 519 CB ALA A 28 2.114 1.304 3.961 1.00 1.00 C ATOM 0 H ALA A 28 1.952 2.131 6.267 1.00 1.00 H new ATOM 0 HA ALA A 28 3.559 2.869 4.072 1.00 1.00 H new ATOM 0 HB1 ALA A 28 2.231 1.166 2.886 1.00 1.00 H new ATOM 0 HB2 ALA A 28 2.751 0.595 4.490 1.00 1.00 H new ATOM 0 HB3 ALA A 28 1.074 1.133 4.237 1.00 1.00 H new ATOM 525 N CYS A 29 0.533 4.105 4.140 1.00 1.00 N ATOM 526 CA CYS A 29 -0.318 5.134 3.558 1.00 1.00 C ATOM 527 C CYS A 29 0.406 6.478 3.550 1.00 1.00 C ATOM 528 O CYS A 29 0.188 7.311 2.666 1.00 1.00 O ATOM 529 CB CYS A 29 -1.631 5.252 4.338 1.00 1.00 C ATOM 530 SG CYS A 29 -2.583 3.717 4.414 1.00 1.00 S ATOM 0 H CYS A 29 0.177 3.704 5.008 1.00 1.00 H new ATOM 0 HA CYS A 29 -0.547 4.849 2.531 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -1.410 5.581 5.353 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -2.246 6.026 3.879 1.00 1.00 H new ATOM 0 HG CYS A 29 -1.984 2.873 5.201 1.00 1.00 H new ATOM 536 N ARG A 30 1.279 6.674 4.533 1.00 1.00 N ATOM 537 CA ARG A 30 2.078 7.887 4.618 1.00 1.00 C ATOM 538 C ARG A 30 3.202 7.851 3.586 1.00 1.00 C ATOM 539 O ARG A 30 3.517 8.866 2.970 1.00 1.00 O ATOM 540 CB ARG A 30 2.651 8.058 6.030 1.00 1.00 C ATOM 541 CG ARG A 30 3.524 9.292 6.192 1.00 1.00 C ATOM 542 CD ARG A 30 3.993 9.470 7.628 1.00 1.00 C ATOM 543 NE ARG A 30 4.763 8.322 8.109 1.00 1.00 N ATOM 544 CZ ARG A 30 5.942 8.421 8.722 1.00 1.00 C ATOM 545 NH1 ARG A 30 6.509 9.608 8.893 1.00 1.00 N ATOM 546 NH2 ARG A 30 6.554 7.330 9.162 1.00 1.00 N ATOM 0 H ARG A 30 1.450 6.005 5.283 1.00 1.00 H new ATOM 0 HA ARG A 30 1.435 8.741 4.405 1.00 1.00 H new ATOM 0 HB2 ARG A 30 1.828 8.111 6.742 1.00 1.00 H new ATOM 0 HB3 ARG A 30 3.236 7.174 6.284 1.00 1.00 H new ATOM 0 HG2 ARG A 30 4.390 9.213 5.534 1.00 1.00 H new ATOM 0 HG3 ARG A 30 2.966 10.175 5.880 1.00 1.00 H new ATOM 0 HD2 ARG A 30 4.604 10.370 7.699 1.00 1.00 H new ATOM 0 HD3 ARG A 30 3.128 9.621 8.274 1.00 1.00 H new ATOM 0 HE ARG A 30 4.374 7.390 7.966 1.00 1.00 H new ATOM 0 HH11 ARG A 30 6.042 10.450 8.555 1.00 1.00 H new ATOM 0 HH12 ARG A 30 7.412 9.679 9.363 1.00 1.00 H new ATOM 0 HH21 ARG A 30 6.122 6.415 9.031 1.00 1.00 H new ATOM 0 HH22 ARG A 30 7.456 7.406 9.631 1.00 1.00 H new ATOM 560 N MET A 31 3.785 6.668 3.388 1.00 1.00 N ATOM 561 CA MET A 31 4.845 6.487 2.393 1.00 1.00 C ATOM 562 C MET A 31 4.366 6.905 1.009 1.00 1.00 C ATOM 563 O MET A 31 5.098 7.545 0.254 1.00 1.00 O ATOM 564 CB MET A 31 5.323 5.033 2.348 1.00 1.00 C ATOM 565 CG MET A 31 6.111 4.600 3.572 1.00 1.00 C ATOM 566 SD MET A 31 6.778 2.933 3.401 1.00 1.00 S ATOM 567 CE MET A 31 7.679 2.768 4.938 1.00 1.00 C ATOM 0 H MET A 31 3.542 5.821 3.902 1.00 1.00 H new ATOM 0 HA MET A 31 5.680 7.121 2.691 1.00 1.00 H new ATOM 0 HB2 MET A 31 4.457 4.381 2.238 1.00 1.00 H new ATOM 0 HB3 MET A 31 5.943 4.893 1.462 1.00 1.00 H new ATOM 0 HG2 MET A 31 6.929 5.301 3.742 1.00 1.00 H new ATOM 0 HG3 MET A 31 5.467 4.643 4.450 1.00 1.00 H new ATOM 0 HE1 MET A 31 8.178 1.799 4.965 1.00 1.00 H new ATOM 0 HE2 MET A 31 8.422 3.562 5.011 1.00 1.00 H new ATOM 0 HE3 MET A 31 6.986 2.842 5.776 1.00 1.00 H new ATOM 577 N ILE A 32 3.130 6.545 0.684 1.00 1.00 N ATOM 578 CA ILE A 32 2.538 6.930 -0.588 1.00 1.00 C ATOM 579 C ILE A 32 2.407 8.450 -0.688 1.00 1.00 C ATOM 580 O ILE A 32 2.710 9.036 -1.722 1.00 1.00 O ATOM 581 CB ILE A 32 1.158 6.249 -0.809 1.00 1.00 C ATOM 582 CG1 ILE A 32 1.349 4.766 -1.142 1.00 1.00 C ATOM 583 CG2 ILE A 32 0.366 6.948 -1.905 1.00 1.00 C ATOM 584 CD1 ILE A 32 2.123 4.526 -2.420 1.00 1.00 C ATOM 0 H ILE A 32 2.521 5.988 1.283 1.00 1.00 H new ATOM 0 HA ILE A 32 3.208 6.585 -1.376 1.00 1.00 H new ATOM 0 HB ILE A 32 0.586 6.331 0.115 1.00 1.00 H new ATOM 0 HG12 ILE A 32 1.869 4.281 -0.316 1.00 1.00 H new ATOM 0 HG13 ILE A 32 0.371 4.292 -1.225 1.00 1.00 H new ATOM 0 HG21 ILE A 32 -0.594 6.448 -2.035 1.00 1.00 H new ATOM 0 HG22 ILE A 32 0.198 7.988 -1.626 1.00 1.00 H new ATOM 0 HG23 ILE A 32 0.925 6.909 -2.840 1.00 1.00 H new ATOM 0 HD11 ILE A 32 2.219 3.454 -2.591 1.00 1.00 H new ATOM 0 HD12 ILE A 32 1.594 4.981 -3.257 1.00 1.00 H new ATOM 0 HD13 ILE A 32 3.115 4.970 -2.333 1.00 1.00 H new ATOM 596 N ARG A 33 1.999 9.079 0.404 1.00 1.00 N ATOM 597 CA ARG A 33 1.764 10.518 0.425 1.00 1.00 C ATOM 598 C ARG A 33 3.067 11.317 0.392 1.00 1.00 C ATOM 599 O ARG A 33 3.113 12.417 -0.160 1.00 1.00 O ATOM 600 CB ARG A 33 0.956 10.891 1.665 1.00 1.00 C ATOM 601 CG ARG A 33 -0.472 10.381 1.627 1.00 1.00 C ATOM 602 CD ARG A 33 -1.201 10.644 2.935 1.00 1.00 C ATOM 603 NE ARG A 33 -1.188 12.059 3.302 1.00 1.00 N ATOM 604 CZ ARG A 33 -2.258 12.850 3.255 1.00 1.00 C ATOM 605 NH1 ARG A 33 -3.410 12.384 2.784 1.00 1.00 N ATOM 606 NH2 ARG A 33 -2.170 14.110 3.659 1.00 1.00 N ATOM 0 H ARG A 33 1.822 8.613 1.294 1.00 1.00 H new ATOM 0 HA ARG A 33 1.203 10.773 -0.474 1.00 1.00 H new ATOM 0 HB2 ARG A 33 1.454 10.491 2.548 1.00 1.00 H new ATOM 0 HB3 ARG A 33 0.944 11.976 1.770 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -1.008 10.862 0.809 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -0.470 9.311 1.421 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -2.233 10.303 2.849 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -0.738 10.060 3.730 1.00 1.00 H new ATOM 0 HE ARG A 33 -0.306 12.465 3.613 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -3.475 11.420 2.458 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -4.229 12.991 2.748 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -1.282 14.474 4.006 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -2.990 14.716 3.623 1.00 1.00 H new ATOM 620 N GLU A 34 4.119 10.779 0.996 1.00 1.00 N ATOM 621 CA GLU A 34 5.389 11.486 1.052 1.00 1.00 C ATOM 622 C GLU A 34 6.176 11.319 -0.250 1.00 1.00 C ATOM 623 O GLU A 34 6.834 12.253 -0.710 1.00 1.00 O ATOM 624 CB GLU A 34 6.219 11.023 2.247 1.00 1.00 C ATOM 625 CG GLU A 34 6.655 9.587 2.140 1.00 1.00 C ATOM 626 CD GLU A 34 7.735 9.225 3.131 1.00 1.00 C ATOM 627 OE1 GLU A 34 7.401 8.849 4.268 1.00 1.00 O ATOM 628 OE2 GLU A 34 8.931 9.329 2.778 1.00 1.00 O ATOM 0 H GLU A 34 4.118 9.865 1.449 1.00 1.00 H new ATOM 0 HA GLU A 34 5.171 12.547 1.178 1.00 1.00 H new ATOM 0 HB2 GLU A 34 7.100 11.658 2.338 1.00 1.00 H new ATOM 0 HB3 GLU A 34 5.636 11.153 3.159 1.00 1.00 H new ATOM 0 HG2 GLU A 34 5.793 8.938 2.297 1.00 1.00 H new ATOM 0 HG3 GLU A 34 7.018 9.397 1.130 1.00 1.00 H new ATOM 635 N ARG A 35 6.093 10.137 -0.847 1.00 1.00 N ATOM 636 CA ARG A 35 6.814 9.853 -2.080 1.00 1.00 C ATOM 637 C ARG A 35 6.052 10.387 -3.286 1.00 1.00 C ATOM 638 O ARG A 35 6.624 11.044 -4.157 1.00 1.00 O ATOM 639 CB ARG A 35 7.034 8.346 -2.234 1.00 1.00 C ATOM 640 CG ARG A 35 7.838 7.961 -3.468 1.00 1.00 C ATOM 641 CD ARG A 35 9.339 7.961 -3.203 1.00 1.00 C ATOM 642 NE ARG A 35 9.857 9.270 -2.801 1.00 1.00 N ATOM 643 CZ ARG A 35 11.057 9.733 -3.155 1.00 1.00 C ATOM 644 NH1 ARG A 35 11.811 9.046 -4.006 1.00 1.00 N ATOM 645 NH2 ARG A 35 11.484 10.895 -2.678 1.00 1.00 N ATOM 0 H ARG A 35 5.533 9.360 -0.497 1.00 1.00 H new ATOM 0 HA ARG A 35 7.782 10.352 -2.028 1.00 1.00 H new ATOM 0 HB2 ARG A 35 7.546 7.971 -1.348 1.00 1.00 H new ATOM 0 HB3 ARG A 35 6.064 7.850 -2.275 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.531 6.971 -3.805 1.00 1.00 H new ATOM 0 HG3 ARG A 35 7.614 8.657 -4.277 1.00 1.00 H new ATOM 0 HD2 ARG A 35 9.563 7.234 -2.422 1.00 1.00 H new ATOM 0 HD3 ARG A 35 9.860 7.633 -4.103 1.00 1.00 H new ATOM 0 HE ARG A 35 9.267 9.862 -2.217 1.00 1.00 H new ATOM 0 HH11 ARG A 35 11.473 8.164 -4.390 1.00 1.00 H new ATOM 0 HH12 ARG A 35 12.728 9.401 -4.276 1.00 1.00 H new ATOM 0 HH21 ARG A 35 10.895 11.433 -2.042 1.00 1.00 H new ATOM 0 HH22 ARG A 35 12.401 11.251 -2.947 1.00 1.00 H new ATOM 659 N ILE A 36 4.761 10.105 -3.327 1.00 1.00 N ATOM 660 CA ILE A 36 3.925 10.503 -4.445 1.00 1.00 C ATOM 661 C ILE A 36 2.987 11.630 -4.023 1.00 1.00 C ATOM 662 O ILE A 36 2.146 11.450 -3.143 1.00 1.00 O ATOM 663 CB ILE A 36 3.093 9.309 -4.974 1.00 1.00 C ATOM 664 CG1 ILE A 36 4.002 8.119 -5.312 1.00 1.00 C ATOM 665 CG2 ILE A 36 2.281 9.716 -6.196 1.00 1.00 C ATOM 666 CD1 ILE A 36 5.020 8.408 -6.399 1.00 1.00 C ATOM 0 H ILE A 36 4.267 9.598 -2.593 1.00 1.00 H new ATOM 0 HA ILE A 36 4.579 10.851 -5.245 1.00 1.00 H new ATOM 0 HB ILE A 36 2.404 9.005 -4.186 1.00 1.00 H new ATOM 0 HG12 ILE A 36 4.528 7.809 -4.409 1.00 1.00 H new ATOM 0 HG13 ILE A 36 3.382 7.279 -5.624 1.00 1.00 H new ATOM 0 HG21 ILE A 36 1.704 8.862 -6.551 1.00 1.00 H new ATOM 0 HG22 ILE A 36 1.602 10.526 -5.929 1.00 1.00 H new ATOM 0 HG23 ILE A 36 2.954 10.052 -6.985 1.00 1.00 H new ATOM 0 HD11 ILE A 36 5.623 7.518 -6.579 1.00 1.00 H new ATOM 0 HD12 ILE A 36 4.503 8.688 -7.317 1.00 1.00 H new ATOM 0 HD13 ILE A 36 5.667 9.226 -6.083 1.00 1.00 H new ATOM 678 N PRO A 37 3.097 12.804 -4.659 1.00 1.00 N ATOM 679 CA PRO A 37 2.297 13.980 -4.297 1.00 1.00 C ATOM 680 C PRO A 37 0.861 13.834 -4.768 1.00 1.00 C ATOM 681 O PRO A 37 -0.034 14.556 -4.325 1.00 1.00 O ATOM 682 CB PRO A 37 2.982 15.095 -5.075 1.00 1.00 C ATOM 683 CG PRO A 37 3.428 14.399 -6.306 1.00 1.00 C ATOM 684 CD PRO A 37 3.975 13.088 -5.812 1.00 1.00 C ATOM 0 HA PRO A 37 2.247 14.146 -3.221 1.00 1.00 H new ATOM 0 HB2 PRO A 37 2.298 15.914 -5.297 1.00 1.00 H new ATOM 0 HB3 PRO A 37 3.820 15.520 -4.523 1.00 1.00 H new ATOM 0 HG2 PRO A 37 2.601 14.249 -7.000 1.00 1.00 H new ATOM 0 HG3 PRO A 37 4.188 14.974 -6.835 1.00 1.00 H new ATOM 0 HD2 PRO A 37 3.915 12.309 -6.572 1.00 1.00 H new ATOM 0 HD3 PRO A 37 5.022 13.167 -5.518 1.00 1.00 H new ATOM 692 N GLU A 38 0.655 12.888 -5.670 1.00 1.00 N ATOM 693 CA GLU A 38 -0.631 12.694 -6.296 1.00 1.00 C ATOM 694 C GLU A 38 -1.677 12.283 -5.258 1.00 1.00 C ATOM 695 O GLU A 38 -2.853 12.630 -5.374 1.00 1.00 O ATOM 696 CB GLU A 38 -0.522 11.630 -7.389 1.00 1.00 C ATOM 697 CG GLU A 38 -1.699 11.612 -8.345 1.00 1.00 C ATOM 698 CD GLU A 38 -1.859 12.924 -9.083 1.00 1.00 C ATOM 699 OE1 GLU A 38 -1.052 13.198 -9.995 1.00 1.00 O ATOM 700 OE2 GLU A 38 -2.795 13.686 -8.759 1.00 1.00 O ATOM 0 H GLU A 38 1.376 12.238 -5.984 1.00 1.00 H new ATOM 0 HA GLU A 38 -0.947 13.635 -6.747 1.00 1.00 H new ATOM 0 HB2 GLU A 38 0.393 11.798 -7.957 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -0.431 10.650 -6.921 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -1.566 10.806 -9.066 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -2.612 11.396 -7.790 1.00 1.00 H new ATOM 707 N ALA A 39 -1.231 11.560 -4.232 1.00 1.00 N ATOM 708 CA ALA A 39 -2.125 11.067 -3.188 1.00 1.00 C ATOM 709 C ALA A 39 -2.458 12.149 -2.163 1.00 1.00 C ATOM 710 O ALA A 39 -3.221 11.915 -1.224 1.00 1.00 O ATOM 711 CB ALA A 39 -1.499 9.871 -2.493 1.00 1.00 C ATOM 0 H ALA A 39 -0.253 11.303 -4.102 1.00 1.00 H new ATOM 0 HA ALA A 39 -3.058 10.768 -3.667 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -2.172 9.509 -1.716 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -1.324 9.078 -3.220 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -0.551 10.166 -2.044 1.00 1.00 H new ATOM 717 N LEU A 40 -1.887 13.329 -2.343 1.00 1.00 N ATOM 718 CA LEU A 40 -2.107 14.428 -1.417 1.00 1.00 C ATOM 719 C LEU A 40 -3.321 15.250 -1.830 1.00 1.00 C ATOM 720 O LEU A 40 -3.259 16.047 -2.767 1.00 1.00 O ATOM 721 CB LEU A 40 -0.860 15.311 -1.338 1.00 1.00 C ATOM 722 CG LEU A 40 0.361 14.637 -0.711 1.00 1.00 C ATOM 723 CD1 LEU A 40 1.607 15.476 -0.922 1.00 1.00 C ATOM 724 CD2 LEU A 40 0.132 14.405 0.773 1.00 1.00 C ATOM 0 H LEU A 40 -1.267 13.550 -3.122 1.00 1.00 H new ATOM 0 HA LEU A 40 -2.302 14.012 -0.429 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -0.600 15.640 -2.344 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.100 16.205 -0.763 1.00 1.00 H new ATOM 0 HG LEU A 40 0.507 13.674 -1.200 1.00 1.00 H new ATOM 0 HD11 LEU A 40 2.463 14.977 -0.468 1.00 1.00 H new ATOM 0 HD12 LEU A 40 1.785 15.601 -1.990 1.00 1.00 H new ATOM 0 HD13 LEU A 40 1.470 16.454 -0.460 1.00 1.00 H new ATOM 0 HD21 LEU A 40 1.009 13.925 1.206 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -0.040 15.361 1.268 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -0.738 13.763 0.911 1.00 1.00 H new ATOM 736 N ALA A 41 -4.428 15.026 -1.139 1.00 1.00 N ATOM 737 CA ALA A 41 -5.661 15.755 -1.398 1.00 1.00 C ATOM 738 C ALA A 41 -6.473 15.881 -0.117 1.00 1.00 C ATOM 739 O ALA A 41 -6.678 16.979 0.399 1.00 1.00 O ATOM 740 CB ALA A 41 -6.476 15.059 -2.481 1.00 1.00 C ATOM 0 H ALA A 41 -4.498 14.339 -0.388 1.00 1.00 H new ATOM 0 HA ALA A 41 -5.408 16.755 -1.751 1.00 1.00 H new ATOM 0 HB1 ALA A 41 -7.394 15.618 -2.661 1.00 1.00 H new ATOM 0 HB2 ALA A 41 -5.893 15.012 -3.401 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -6.724 14.048 -2.157 1.00 1.00 H new ATOM 746 N GLY A 42 -6.917 14.747 0.399 1.00 1.00 N ATOM 747 CA GLY A 42 -7.651 14.735 1.646 1.00 1.00 C ATOM 748 C GLY A 42 -6.819 14.175 2.780 1.00 1.00 C ATOM 749 O GLY A 42 -5.643 13.858 2.585 1.00 1.00 O ATOM 0 H GLY A 42 -6.781 13.830 -0.026 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.967 15.749 1.892 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -8.556 14.139 1.530 1.00 1.00 H new ATOM 753 N PRO A 43 -7.407 14.037 3.979 1.00 1.00 N ATOM 754 CA PRO A 43 -6.707 13.528 5.167 1.00 1.00 C ATOM 755 C PRO A 43 -6.152 12.136 4.970 1.00 1.00 C ATOM 756 O PRO A 43 -6.688 11.336 4.204 1.00 1.00 O ATOM 757 CB PRO A 43 -7.781 13.537 6.261 1.00 1.00 C ATOM 758 CG PRO A 43 -8.821 14.485 5.773 1.00 1.00 C ATOM 759 CD PRO A 43 -8.810 14.369 4.276 1.00 1.00 C ATOM 0 HA PRO A 43 -5.837 14.139 5.409 1.00 1.00 H new ATOM 0 HB2 PRO A 43 -8.196 12.541 6.415 1.00 1.00 H new ATOM 0 HB3 PRO A 43 -7.368 13.861 7.216 1.00 1.00 H new ATOM 0 HG2 PRO A 43 -9.801 14.232 6.178 1.00 1.00 H new ATOM 0 HG3 PRO A 43 -8.599 15.505 6.088 1.00 1.00 H new ATOM 0 HD2 PRO A 43 -9.491 13.593 3.926 1.00 1.00 H new ATOM 0 HD3 PRO A 43 -9.114 15.300 3.797 1.00 1.00 H new ATOM 767 N PRO A 44 -5.055 11.836 5.673 1.00 1.00 N ATOM 768 CA PRO A 44 -4.299 10.617 5.454 1.00 1.00 C ATOM 769 C PRO A 44 -5.120 9.352 5.699 1.00 1.00 C ATOM 770 O PRO A 44 -5.050 8.396 4.928 1.00 1.00 O ATOM 771 CB PRO A 44 -3.139 10.710 6.451 1.00 1.00 C ATOM 772 CG PRO A 44 -3.058 12.149 6.824 1.00 1.00 C ATOM 773 CD PRO A 44 -4.459 12.674 6.727 1.00 1.00 C ATOM 0 HA PRO A 44 -3.974 10.538 4.417 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -3.321 10.086 7.326 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -2.207 10.366 6.003 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -2.664 12.270 7.833 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -2.390 12.690 6.154 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -4.993 12.575 7.672 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -4.476 13.731 6.460 1.00 1.00 H new ATOM 781 N ASN A 45 -5.908 9.364 6.766 1.00 1.00 N ATOM 782 CA ASN A 45 -6.718 8.207 7.135 1.00 1.00 C ATOM 783 C ASN A 45 -8.085 8.248 6.459 1.00 1.00 C ATOM 784 O ASN A 45 -8.901 7.343 6.635 1.00 1.00 O ATOM 785 CB ASN A 45 -6.875 8.115 8.660 1.00 1.00 C ATOM 786 CG ASN A 45 -7.353 9.411 9.284 1.00 1.00 C ATOM 787 OD1 ASN A 45 -8.554 9.655 9.402 1.00 1.00 O ATOM 788 ND2 ASN A 45 -6.413 10.246 9.703 1.00 1.00 N ATOM 0 H ASN A 45 -6.005 10.163 7.393 1.00 1.00 H new ATOM 0 HA ASN A 45 -6.197 7.315 6.786 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -7.581 7.320 8.900 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -5.919 7.836 9.102 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -6.674 11.129 10.142 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -5.429 10.006 9.586 1.00 1.00 H new ATOM 795 N ASP A 46 -8.325 9.294 5.674 1.00 1.00 N ATOM 796 CA ASP A 46 -9.550 9.391 4.886 1.00 1.00 C ATOM 797 C ASP A 46 -9.412 8.507 3.653 1.00 1.00 C ATOM 798 O ASP A 46 -10.388 7.976 3.122 1.00 1.00 O ATOM 799 CB ASP A 46 -9.821 10.846 4.491 1.00 1.00 C ATOM 800 CG ASP A 46 -11.121 11.025 3.731 1.00 1.00 C ATOM 801 OD1 ASP A 46 -12.176 10.571 4.228 1.00 1.00 O ATOM 802 OD2 ASP A 46 -11.100 11.655 2.656 1.00 1.00 O ATOM 0 H ASP A 46 -7.690 10.085 5.566 1.00 1.00 H new ATOM 0 HA ASP A 46 -10.398 9.050 5.480 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -9.845 11.462 5.390 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -8.996 11.209 3.878 1.00 1.00 H new ATOM 807 N PHE A 47 -8.170 8.346 3.218 1.00 1.00 N ATOM 808 CA PHE A 47 -7.832 7.381 2.187 1.00 1.00 C ATOM 809 C PHE A 47 -7.409 6.079 2.853 1.00 1.00 C ATOM 810 O PHE A 47 -7.546 5.928 4.068 1.00 1.00 O ATOM 811 CB PHE A 47 -6.699 7.906 1.299 1.00 1.00 C ATOM 812 CG PHE A 47 -7.051 9.155 0.542 1.00 1.00 C ATOM 813 CD1 PHE A 47 -7.795 9.086 -0.624 1.00 1.00 C ATOM 814 CD2 PHE A 47 -6.634 10.394 0.994 1.00 1.00 C ATOM 815 CE1 PHE A 47 -8.118 10.231 -1.325 1.00 1.00 C ATOM 816 CE2 PHE A 47 -6.955 11.542 0.298 1.00 1.00 C ATOM 817 CZ PHE A 47 -7.698 11.462 -0.863 1.00 1.00 C ATOM 0 H PHE A 47 -7.374 8.878 3.569 1.00 1.00 H new ATOM 0 HA PHE A 47 -8.704 7.212 1.556 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -5.825 8.103 1.920 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -6.417 7.129 0.588 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -8.127 8.125 -0.989 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -6.051 10.464 1.901 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -8.698 10.163 -2.233 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -6.625 12.504 0.662 1.00 1.00 H new ATOM 0 HZ PHE A 47 -7.950 12.360 -1.408 1.00 1.00 H new ATOM 827 N GLY A 48 -6.914 5.135 2.077 1.00 1.00 N ATOM 828 CA GLY A 48 -6.448 3.900 2.658 1.00 1.00 C ATOM 829 C GLY A 48 -5.925 2.926 1.632 1.00 1.00 C ATOM 830 O GLY A 48 -5.985 3.182 0.427 1.00 1.00 O ATOM 0 H GLY A 48 -6.826 5.200 1.063 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -5.660 4.119 3.378 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -7.264 3.434 3.210 1.00 1.00 H new ATOM 834 N LEU A 49 -5.411 1.810 2.116 1.00 1.00 N ATOM 835 CA LEU A 49 -4.893 0.767 1.254 1.00 1.00 C ATOM 836 C LEU A 49 -5.951 -0.301 1.027 1.00 1.00 C ATOM 837 O LEU A 49 -6.491 -0.873 1.978 1.00 1.00 O ATOM 838 CB LEU A 49 -3.634 0.149 1.862 1.00 1.00 C ATOM 839 CG LEU A 49 -2.423 1.081 1.920 1.00 1.00 C ATOM 840 CD1 LEU A 49 -1.279 0.419 2.668 1.00 1.00 C ATOM 841 CD2 LEU A 49 -1.985 1.472 0.515 1.00 1.00 C ATOM 0 H LEU A 49 -5.342 1.603 3.112 1.00 1.00 H new ATOM 0 HA LEU A 49 -4.631 1.208 0.292 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -3.864 -0.188 2.873 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -3.366 -0.736 1.285 1.00 1.00 H new ATOM 0 HG LEU A 49 -2.709 1.986 2.457 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -0.425 1.096 2.700 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -1.596 0.186 3.685 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -0.994 -0.501 2.157 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.122 2.135 0.574 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -1.716 0.576 -0.045 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -2.803 1.985 0.008 1.00 1.00 H new ATOM 853 N PHE A 50 -6.251 -0.552 -0.233 1.00 1.00 N ATOM 854 CA PHE A 50 -7.248 -1.539 -0.606 1.00 1.00 C ATOM 855 C PHE A 50 -6.582 -2.692 -1.338 1.00 1.00 C ATOM 856 O PHE A 50 -6.131 -2.539 -2.473 1.00 1.00 O ATOM 857 CB PHE A 50 -8.325 -0.889 -1.485 1.00 1.00 C ATOM 858 CG PHE A 50 -9.399 -1.831 -1.953 1.00 1.00 C ATOM 859 CD1 PHE A 50 -10.418 -2.221 -1.101 1.00 1.00 C ATOM 860 CD2 PHE A 50 -9.393 -2.317 -3.251 1.00 1.00 C ATOM 861 CE1 PHE A 50 -11.412 -3.077 -1.533 1.00 1.00 C ATOM 862 CE2 PHE A 50 -10.383 -3.174 -3.688 1.00 1.00 C ATOM 863 CZ PHE A 50 -11.393 -3.555 -2.829 1.00 1.00 C ATOM 0 H PHE A 50 -5.813 -0.080 -1.024 1.00 1.00 H new ATOM 0 HA PHE A 50 -7.725 -1.928 0.293 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -8.790 -0.076 -0.927 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -7.845 -0.444 -2.356 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.436 -1.851 -0.086 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -8.605 -2.022 -3.928 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -12.203 -3.372 -0.859 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -10.367 -3.546 -4.702 1.00 1.00 H new ATOM 0 HZ PHE A 50 -12.168 -4.226 -3.169 1.00 1.00 H new ATOM 873 N LEU A 51 -6.493 -3.832 -0.675 1.00 1.00 N ATOM 874 CA LEU A 51 -5.888 -5.012 -1.268 1.00 1.00 C ATOM 875 C LEU A 51 -6.818 -5.541 -2.349 1.00 1.00 C ATOM 876 O LEU A 51 -7.842 -6.151 -2.046 1.00 1.00 O ATOM 877 CB LEU A 51 -5.647 -6.079 -0.189 1.00 1.00 C ATOM 878 CG LEU A 51 -4.561 -7.125 -0.488 1.00 1.00 C ATOM 879 CD1 LEU A 51 -4.348 -8.016 0.725 1.00 1.00 C ATOM 880 CD2 LEU A 51 -4.920 -7.974 -1.700 1.00 1.00 C ATOM 0 H LEU A 51 -6.833 -3.966 0.277 1.00 1.00 H new ATOM 0 HA LEU A 51 -4.925 -4.758 -1.710 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -5.385 -5.572 0.740 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -6.586 -6.603 -0.012 1.00 1.00 H new ATOM 0 HG LEU A 51 -3.638 -6.592 -0.714 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -3.577 -8.754 0.504 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -4.035 -7.407 1.573 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -5.279 -8.527 0.969 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -4.129 -8.702 -1.881 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -5.858 -8.496 -1.513 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -5.029 -7.332 -2.574 1.00 1.00 H new ATOM 892 N SER A 52 -6.478 -5.285 -3.599 1.00 1.00 N ATOM 893 CA SER A 52 -7.342 -5.659 -4.698 1.00 1.00 C ATOM 894 C SER A 52 -7.130 -7.109 -5.094 1.00 1.00 C ATOM 895 O SER A 52 -6.032 -7.657 -4.963 1.00 1.00 O ATOM 896 CB SER A 52 -7.108 -4.741 -5.895 1.00 1.00 C ATOM 897 OG SER A 52 -5.741 -4.715 -6.268 1.00 1.00 O ATOM 0 H SER A 52 -5.613 -4.821 -3.876 1.00 1.00 H new ATOM 0 HA SER A 52 -8.375 -5.548 -4.367 1.00 1.00 H new ATOM 0 HB2 SER A 52 -7.710 -5.079 -6.738 1.00 1.00 H new ATOM 0 HB3 SER A 52 -7.439 -3.732 -5.651 1.00 1.00 H new ATOM 0 HG SER A 52 -5.623 -4.120 -7.038 1.00 1.00 H new ATOM 903 N ASP A 53 -8.196 -7.723 -5.567 1.00 1.00 N ATOM 904 CA ASP A 53 -8.149 -9.088 -6.046 1.00 1.00 C ATOM 905 C ASP A 53 -8.768 -9.127 -7.437 1.00 1.00 C ATOM 906 O ASP A 53 -9.294 -8.111 -7.899 1.00 1.00 O ATOM 907 CB ASP A 53 -8.902 -10.008 -5.075 1.00 1.00 C ATOM 908 CG ASP A 53 -8.814 -11.473 -5.449 1.00 1.00 C ATOM 909 OD1 ASP A 53 -7.765 -12.098 -5.189 1.00 1.00 O ATOM 910 OD2 ASP A 53 -9.789 -12.006 -6.014 1.00 1.00 O ATOM 0 H ASP A 53 -9.117 -7.290 -5.630 1.00 1.00 H new ATOM 0 HA ASP A 53 -7.119 -9.441 -6.102 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.501 -9.872 -4.071 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -9.950 -9.711 -5.042 1.00 1.00 H new ATOM 915 N ASP A 54 -8.706 -10.272 -8.111 1.00 1.00 N ATOM 916 CA ASP A 54 -9.301 -10.397 -9.437 1.00 1.00 C ATOM 917 C ASP A 54 -10.809 -10.195 -9.338 1.00 1.00 C ATOM 918 O ASP A 54 -11.457 -9.755 -10.289 1.00 1.00 O ATOM 919 CB ASP A 54 -8.974 -11.758 -10.073 1.00 1.00 C ATOM 920 CG ASP A 54 -9.892 -12.884 -9.628 1.00 1.00 C ATOM 921 OD1 ASP A 54 -9.598 -13.539 -8.608 1.00 1.00 O ATOM 922 OD2 ASP A 54 -10.906 -13.137 -10.317 1.00 1.00 O ATOM 0 H ASP A 54 -8.254 -11.119 -7.765 1.00 1.00 H new ATOM 0 HA ASP A 54 -8.876 -9.628 -10.083 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -9.031 -11.664 -11.157 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -7.945 -12.024 -9.829 1.00 1.00 H new ATOM 927 N ASP A 55 -11.353 -10.509 -8.169 1.00 1.00 N ATOM 928 CA ASP A 55 -12.744 -10.219 -7.863 1.00 1.00 C ATOM 929 C ASP A 55 -12.812 -9.173 -6.754 1.00 1.00 C ATOM 930 O ASP A 55 -12.140 -9.306 -5.729 1.00 1.00 O ATOM 931 CB ASP A 55 -13.479 -11.489 -7.439 1.00 1.00 C ATOM 932 CG ASP A 55 -14.932 -11.229 -7.096 1.00 1.00 C ATOM 933 OD1 ASP A 55 -15.211 -10.831 -5.952 1.00 1.00 O ATOM 934 OD2 ASP A 55 -15.802 -11.432 -7.965 1.00 1.00 O ATOM 0 H ASP A 55 -10.845 -10.968 -7.413 1.00 1.00 H new ATOM 0 HA ASP A 55 -13.230 -9.830 -8.758 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -13.424 -12.223 -8.243 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -12.977 -11.925 -6.575 1.00 1.00 H new ATOM 939 N PRO A 56 -13.620 -8.119 -6.944 1.00 1.00 N ATOM 940 CA PRO A 56 -13.693 -6.986 -6.012 1.00 1.00 C ATOM 941 C PRO A 56 -14.178 -7.366 -4.611 1.00 1.00 C ATOM 942 O PRO A 56 -13.915 -6.646 -3.648 1.00 1.00 O ATOM 943 CB PRO A 56 -14.691 -6.030 -6.676 1.00 1.00 C ATOM 944 CG PRO A 56 -15.470 -6.877 -7.619 1.00 1.00 C ATOM 945 CD PRO A 56 -14.524 -7.941 -8.093 1.00 1.00 C ATOM 0 HA PRO A 56 -12.704 -6.559 -5.848 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -15.341 -5.563 -5.936 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -14.176 -5.226 -7.202 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -16.336 -7.317 -7.125 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -15.845 -6.287 -8.455 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -15.047 -8.864 -8.341 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -13.983 -7.631 -8.987 1.00 1.00 H new ATOM 953 N LYS A 57 -14.867 -8.496 -4.486 1.00 1.00 N ATOM 954 CA LYS A 57 -15.404 -8.914 -3.195 1.00 1.00 C ATOM 955 C LYS A 57 -14.299 -9.468 -2.311 1.00 1.00 C ATOM 956 O LYS A 57 -14.402 -9.447 -1.086 1.00 1.00 O ATOM 957 CB LYS A 57 -16.497 -9.967 -3.369 1.00 1.00 C ATOM 958 CG LYS A 57 -17.688 -9.491 -4.179 1.00 1.00 C ATOM 959 CD LYS A 57 -18.469 -8.406 -3.460 1.00 1.00 C ATOM 960 CE LYS A 57 -19.736 -8.047 -4.220 1.00 1.00 C ATOM 961 NZ LYS A 57 -20.648 -9.214 -4.359 1.00 1.00 N ATOM 0 H LYS A 57 -15.066 -9.135 -5.256 1.00 1.00 H new ATOM 0 HA LYS A 57 -15.839 -8.036 -2.718 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -16.068 -10.844 -3.853 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -16.843 -10.283 -2.385 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -17.344 -9.112 -5.141 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -18.346 -10.335 -4.386 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -18.727 -8.744 -2.456 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -17.845 -7.519 -3.347 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -20.254 -7.241 -3.701 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -19.472 -7.672 -5.209 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -21.611 -8.879 -4.565 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -20.319 -9.821 -5.137 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -20.653 -9.759 -3.473 1.00 1.00 H new ATOM 975 N LYS A 58 -13.240 -9.958 -2.940 1.00 1.00 N ATOM 976 CA LYS A 58 -12.095 -10.475 -2.206 1.00 1.00 C ATOM 977 C LYS A 58 -11.137 -9.340 -1.876 1.00 1.00 C ATOM 978 O LYS A 58 -10.127 -9.536 -1.200 1.00 1.00 O ATOM 979 CB LYS A 58 -11.362 -11.561 -3.001 1.00 1.00 C ATOM 980 CG LYS A 58 -12.132 -12.867 -3.165 1.00 1.00 C ATOM 981 CD LYS A 58 -13.304 -12.731 -4.124 1.00 1.00 C ATOM 982 CE LYS A 58 -13.926 -14.079 -4.442 1.00 1.00 C ATOM 983 NZ LYS A 58 -12.964 -14.985 -5.129 1.00 1.00 N ATOM 0 H LYS A 58 -13.150 -10.008 -3.955 1.00 1.00 H new ATOM 0 HA LYS A 58 -12.462 -10.924 -1.283 1.00 1.00 H new ATOM 0 HB2 LYS A 58 -11.125 -11.169 -3.990 1.00 1.00 H new ATOM 0 HB3 LYS A 58 -10.414 -11.775 -2.507 1.00 1.00 H new ATOM 0 HG2 LYS A 58 -11.456 -13.641 -3.529 1.00 1.00 H new ATOM 0 HG3 LYS A 58 -12.498 -13.195 -2.192 1.00 1.00 H new ATOM 0 HD2 LYS A 58 -14.058 -12.076 -3.687 1.00 1.00 H new ATOM 0 HD3 LYS A 58 -12.967 -12.259 -5.047 1.00 1.00 H new ATOM 0 HE2 LYS A 58 -14.270 -14.547 -3.520 1.00 1.00 H new ATOM 0 HE3 LYS A 58 -14.803 -13.935 -5.073 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 -13.486 -15.745 -5.610 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 -12.417 -14.444 -5.829 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 -12.316 -15.399 -4.429 1.00 1.00 H new ATOM 997 N GLY A 59 -11.459 -8.154 -2.374 1.00 1.00 N ATOM 998 CA GLY A 59 -10.677 -6.981 -2.062 1.00 1.00 C ATOM 999 C GLY A 59 -11.006 -6.459 -0.681 1.00 1.00 C ATOM 1000 O GLY A 59 -12.173 -6.235 -0.364 1.00 1.00 O ATOM 0 H GLY A 59 -12.253 -7.986 -2.992 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -9.616 -7.222 -2.120 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -10.869 -6.205 -2.803 1.00 1.00 H new ATOM 1004 N ILE A 60 -9.989 -6.269 0.142 1.00 1.00 N ATOM 1005 CA ILE A 60 -10.205 -5.873 1.525 1.00 1.00 C ATOM 1006 C ILE A 60 -9.409 -4.626 1.879 1.00 1.00 C ATOM 1007 O ILE A 60 -8.341 -4.375 1.318 1.00 1.00 O ATOM 1008 CB ILE A 60 -9.827 -7.008 2.503 1.00 1.00 C ATOM 1009 CG1 ILE A 60 -8.359 -7.411 2.323 1.00 1.00 C ATOM 1010 CG2 ILE A 60 -10.742 -8.206 2.298 1.00 1.00 C ATOM 1011 CD1 ILE A 60 -7.889 -8.467 3.303 1.00 1.00 C ATOM 0 H ILE A 60 -9.010 -6.382 -0.121 1.00 1.00 H new ATOM 0 HA ILE A 60 -11.269 -5.656 1.624 1.00 1.00 H new ATOM 0 HB ILE A 60 -9.956 -6.644 3.522 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -8.216 -7.781 1.308 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -7.733 -6.525 2.430 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -10.465 -8.999 2.993 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -11.775 -7.910 2.479 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -10.642 -8.569 1.275 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -6.841 -8.699 3.113 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -7.999 -8.093 4.321 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.489 -9.369 3.181 1.00 1.00 H new ATOM 1023 N TRP A 61 -9.941 -3.840 2.802 1.00 1.00 N ATOM 1024 CA TRP A 61 -9.238 -2.674 3.307 1.00 1.00 C ATOM 1025 C TRP A 61 -8.296 -3.083 4.429 1.00 1.00 C ATOM 1026 O TRP A 61 -8.697 -3.775 5.368 1.00 1.00 O ATOM 1027 CB TRP A 61 -10.223 -1.621 3.810 1.00 1.00 C ATOM 1028 CG TRP A 61 -11.030 -0.997 2.722 1.00 1.00 C ATOM 1029 CD1 TRP A 61 -12.270 -1.376 2.323 1.00 1.00 C ATOM 1030 CD2 TRP A 61 -10.659 0.108 1.895 1.00 1.00 C ATOM 1031 NE1 TRP A 61 -12.706 -0.574 1.298 1.00 1.00 N ATOM 1032 CE2 TRP A 61 -11.733 0.348 1.015 1.00 1.00 C ATOM 1033 CE3 TRP A 61 -9.527 0.923 1.814 1.00 1.00 C ATOM 1034 CZ2 TRP A 61 -11.705 1.366 0.069 1.00 1.00 C ATOM 1035 CZ3 TRP A 61 -9.504 1.931 0.870 1.00 1.00 C ATOM 1036 CH2 TRP A 61 -10.582 2.145 0.013 1.00 1.00 C ATOM 0 H TRP A 61 -10.861 -3.990 3.217 1.00 1.00 H new ATOM 0 HA TRP A 61 -8.660 -2.240 2.491 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -10.896 -2.080 4.534 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -9.673 -0.841 4.337 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -12.833 -2.192 2.751 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -13.606 -0.652 0.825 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -8.688 0.768 2.476 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -12.538 1.536 -0.597 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -8.634 2.566 0.794 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -10.530 2.944 -0.712 1.00 1.00 H new ATOM 1047 N LEU A 62 -7.046 -2.672 4.321 1.00 1.00 N ATOM 1048 CA LEU A 62 -6.052 -3.002 5.322 1.00 1.00 C ATOM 1049 C LEU A 62 -6.204 -2.110 6.550 1.00 1.00 C ATOM 1050 O LEU A 62 -6.250 -0.885 6.441 1.00 1.00 O ATOM 1051 CB LEU A 62 -4.638 -2.873 4.746 1.00 1.00 C ATOM 1052 CG LEU A 62 -4.250 -3.919 3.696 1.00 1.00 C ATOM 1053 CD1 LEU A 62 -4.933 -3.650 2.366 1.00 1.00 C ATOM 1054 CD2 LEU A 62 -2.741 -3.955 3.517 1.00 1.00 C ATOM 0 H LEU A 62 -6.696 -2.107 3.547 1.00 1.00 H new ATOM 0 HA LEU A 62 -6.210 -4.037 5.624 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.536 -1.883 4.301 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -3.924 -2.928 5.568 1.00 1.00 H new ATOM 0 HG LEU A 62 -4.587 -4.892 4.054 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -4.636 -4.411 1.644 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -6.014 -3.680 2.500 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.640 -2.667 1.999 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -2.481 -4.703 2.768 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.390 -2.976 3.190 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -2.268 -4.212 4.465 1.00 1.00 H new ATOM 1066 N GLU A 63 -6.307 -2.743 7.712 1.00 1.00 N ATOM 1067 CA GLU A 63 -6.399 -2.029 8.982 1.00 1.00 C ATOM 1068 C GLU A 63 -5.130 -1.233 9.249 1.00 1.00 C ATOM 1069 O GLU A 63 -4.025 -1.739 9.063 1.00 1.00 O ATOM 1070 CB GLU A 63 -6.605 -3.014 10.129 1.00 1.00 C ATOM 1071 CG GLU A 63 -7.838 -3.883 9.990 1.00 1.00 C ATOM 1072 CD GLU A 63 -7.866 -4.982 11.026 1.00 1.00 C ATOM 1073 OE1 GLU A 63 -8.257 -4.711 12.175 1.00 1.00 O ATOM 1074 OE2 GLU A 63 -7.479 -6.125 10.699 1.00 1.00 O ATOM 0 H GLU A 63 -6.329 -3.759 7.802 1.00 1.00 H new ATOM 0 HA GLU A 63 -7.248 -1.348 8.918 1.00 1.00 H new ATOM 0 HB2 GLU A 63 -5.728 -3.657 10.202 1.00 1.00 H new ATOM 0 HB3 GLU A 63 -6.671 -2.457 11.064 1.00 1.00 H new ATOM 0 HG2 GLU A 63 -8.731 -3.266 10.089 1.00 1.00 H new ATOM 0 HG3 GLU A 63 -7.863 -4.322 8.993 1.00 1.00 H new ATOM 1081 N ALA A 64 -5.302 -0.001 9.709 1.00 1.00 N ATOM 1082 CA ALA A 64 -4.182 0.873 10.047 1.00 1.00 C ATOM 1083 C ALA A 64 -3.292 0.241 11.114 1.00 1.00 C ATOM 1084 O ALA A 64 -2.069 0.368 11.067 1.00 1.00 O ATOM 1085 CB ALA A 64 -4.715 2.212 10.531 1.00 1.00 C ATOM 0 H ALA A 64 -6.218 0.422 9.859 1.00 1.00 H new ATOM 0 HA ALA A 64 -3.575 1.023 9.154 1.00 1.00 H new ATOM 0 HB1 ALA A 64 -3.880 2.866 10.784 1.00 1.00 H new ATOM 0 HB2 ALA A 64 -5.311 2.673 9.743 1.00 1.00 H new ATOM 0 HB3 ALA A 64 -5.336 2.059 11.413 1.00 1.00 H new ATOM 1091 N GLY A 65 -3.914 -0.454 12.063 1.00 1.00 N ATOM 1092 CA GLY A 65 -3.175 -1.055 13.159 1.00 1.00 C ATOM 1093 C GLY A 65 -2.588 -2.416 12.823 1.00 1.00 C ATOM 1094 O GLY A 65 -2.191 -3.164 13.718 1.00 1.00 O ATOM 0 H GLY A 65 -4.921 -0.612 12.092 1.00 1.00 H new ATOM 0 HA2 GLY A 65 -2.369 -0.384 13.454 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -3.836 -1.156 14.020 1.00 1.00 H new ATOM 1098 N LYS A 66 -2.528 -2.747 11.542 1.00 1.00 N ATOM 1099 CA LYS A 66 -1.911 -3.991 11.102 1.00 1.00 C ATOM 1100 C LYS A 66 -0.711 -3.686 10.215 1.00 1.00 C ATOM 1101 O LYS A 66 -0.588 -2.576 9.695 1.00 1.00 O ATOM 1102 CB LYS A 66 -2.924 -4.861 10.346 1.00 1.00 C ATOM 1103 CG LYS A 66 -4.117 -5.291 11.189 1.00 1.00 C ATOM 1104 CD LYS A 66 -3.702 -6.198 12.336 1.00 1.00 C ATOM 1105 CE LYS A 66 -4.877 -6.535 13.245 1.00 1.00 C ATOM 1106 NZ LYS A 66 -5.935 -7.323 12.553 1.00 1.00 N ATOM 0 H LYS A 66 -2.900 -2.171 10.787 1.00 1.00 H new ATOM 0 HA LYS A 66 -1.575 -4.544 11.979 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -3.285 -4.310 9.477 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -2.417 -5.750 9.971 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -4.618 -4.408 11.587 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -4.839 -5.810 10.559 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -3.277 -7.118 11.936 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -2.919 -5.712 12.919 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -4.515 -7.098 14.105 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -5.311 -5.611 13.628 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -6.685 -7.567 13.231 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -6.338 -6.758 11.779 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -5.521 -8.195 12.166 1.00 1.00 H new ATOM 1120 N ALA A 67 0.180 -4.653 10.061 1.00 1.00 N ATOM 1121 CA ALA A 67 1.353 -4.483 9.214 1.00 1.00 C ATOM 1122 C ALA A 67 1.094 -5.044 7.821 1.00 1.00 C ATOM 1123 O ALA A 67 0.098 -5.727 7.595 1.00 1.00 O ATOM 1124 CB ALA A 67 2.567 -5.152 9.841 1.00 1.00 C ATOM 0 H ALA A 67 0.114 -5.566 10.512 1.00 1.00 H new ATOM 0 HA ALA A 67 1.557 -3.416 9.122 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.433 -5.014 9.194 1.00 1.00 H new ATOM 0 HB2 ALA A 67 2.767 -4.704 10.815 1.00 1.00 H new ATOM 0 HB3 ALA A 67 2.372 -6.217 9.964 1.00 1.00 H new ATOM 1130 N LEU A 68 1.986 -4.751 6.890 1.00 1.00 N ATOM 1131 CA LEU A 68 1.839 -5.213 5.515 1.00 1.00 C ATOM 1132 C LEU A 68 2.110 -6.711 5.390 1.00 1.00 C ATOM 1133 O LEU A 68 1.469 -7.400 4.592 1.00 1.00 O ATOM 1134 CB LEU A 68 2.766 -4.427 4.595 1.00 1.00 C ATOM 1135 CG LEU A 68 2.480 -2.927 4.539 1.00 1.00 C ATOM 1136 CD1 LEU A 68 3.440 -2.245 3.589 1.00 1.00 C ATOM 1137 CD2 LEU A 68 1.042 -2.668 4.115 1.00 1.00 C ATOM 0 H LEU A 68 2.823 -4.194 7.059 1.00 1.00 H new ATOM 0 HA LEU A 68 0.806 -5.040 5.215 1.00 1.00 H new ATOM 0 HB2 LEU A 68 3.795 -4.576 4.923 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.690 -4.836 3.588 1.00 1.00 H new ATOM 0 HG LEU A 68 2.622 -2.513 5.537 1.00 1.00 H new ATOM 0 HD11 LEU A 68 3.225 -1.177 3.559 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.463 -2.400 3.932 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.325 -2.667 2.590 1.00 1.00 H new ATOM 0 HD21 LEU A 68 0.860 -1.594 4.082 1.00 1.00 H new ATOM 0 HD22 LEU A 68 0.871 -3.096 3.127 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.363 -3.129 4.832 1.00 1.00 H new ATOM 1149 N ASP A 69 3.052 -7.220 6.185 1.00 1.00 N ATOM 1150 CA ASP A 69 3.389 -8.646 6.154 1.00 1.00 C ATOM 1151 C ASP A 69 2.203 -9.484 6.626 1.00 1.00 C ATOM 1152 O ASP A 69 2.055 -10.649 6.252 1.00 1.00 O ATOM 1153 CB ASP A 69 4.610 -8.919 7.033 1.00 1.00 C ATOM 1154 CG ASP A 69 5.083 -10.356 6.953 1.00 1.00 C ATOM 1155 OD1 ASP A 69 5.797 -10.700 5.985 1.00 1.00 O ATOM 1156 OD2 ASP A 69 4.757 -11.147 7.863 1.00 1.00 O ATOM 0 H ASP A 69 3.592 -6.672 6.854 1.00 1.00 H new ATOM 0 HA ASP A 69 3.625 -8.925 5.127 1.00 1.00 H new ATOM 0 HB2 ASP A 69 5.422 -8.257 6.734 1.00 1.00 H new ATOM 0 HB3 ASP A 69 4.368 -8.678 8.068 1.00 1.00 H new ATOM 1161 N TYR A 70 1.354 -8.853 7.426 1.00 1.00 N ATOM 1162 CA TYR A 70 0.144 -9.468 7.967 1.00 1.00 C ATOM 1163 C TYR A 70 -0.731 -10.024 6.850 1.00 1.00 C ATOM 1164 O TYR A 70 -1.363 -11.070 6.992 1.00 1.00 O ATOM 1165 CB TYR A 70 -0.630 -8.395 8.733 1.00 1.00 C ATOM 1166 CG TYR A 70 -1.845 -8.876 9.493 1.00 1.00 C ATOM 1167 CD1 TYR A 70 -1.735 -9.309 10.807 1.00 1.00 C ATOM 1168 CD2 TYR A 70 -3.107 -8.859 8.911 1.00 1.00 C ATOM 1169 CE1 TYR A 70 -2.845 -9.721 11.517 1.00 1.00 C ATOM 1170 CE2 TYR A 70 -4.223 -9.263 9.617 1.00 1.00 C ATOM 1171 CZ TYR A 70 -4.085 -9.693 10.919 1.00 1.00 C ATOM 1172 OH TYR A 70 -5.196 -10.080 11.632 1.00 1.00 O ATOM 0 H TYR A 70 1.486 -7.886 7.723 1.00 1.00 H new ATOM 0 HA TYR A 70 0.419 -10.294 8.623 1.00 1.00 H new ATOM 0 HB2 TYR A 70 0.050 -7.917 9.438 1.00 1.00 H new ATOM 0 HB3 TYR A 70 -0.947 -7.628 8.026 1.00 1.00 H new ATOM 0 HD1 TYR A 70 -0.765 -9.324 11.282 1.00 1.00 H new ATOM 0 HD2 TYR A 70 -3.217 -8.524 7.890 1.00 1.00 H new ATOM 0 HE1 TYR A 70 -2.741 -10.063 12.536 1.00 1.00 H new ATOM 0 HE2 TYR A 70 -5.197 -9.242 9.152 1.00 1.00 H new ATOM 0 HH TYR A 70 -5.992 -10.001 11.066 1.00 1.00 H new ATOM 1182 N TYR A 71 -0.747 -9.315 5.734 1.00 1.00 N ATOM 1183 CA TYR A 71 -1.645 -9.628 4.635 1.00 1.00 C ATOM 1184 C TYR A 71 -0.949 -10.464 3.568 1.00 1.00 C ATOM 1185 O TYR A 71 -1.519 -10.718 2.505 1.00 1.00 O ATOM 1186 CB TYR A 71 -2.178 -8.328 4.036 1.00 1.00 C ATOM 1187 CG TYR A 71 -3.004 -7.520 5.008 1.00 1.00 C ATOM 1188 CD1 TYR A 71 -2.392 -6.665 5.914 1.00 1.00 C ATOM 1189 CD2 TYR A 71 -4.389 -7.619 5.029 1.00 1.00 C ATOM 1190 CE1 TYR A 71 -3.134 -5.931 6.815 1.00 1.00 C ATOM 1191 CE2 TYR A 71 -5.139 -6.884 5.928 1.00 1.00 C ATOM 1192 CZ TYR A 71 -4.504 -6.045 6.819 1.00 1.00 C ATOM 1193 OH TYR A 71 -5.241 -5.311 7.717 1.00 1.00 O ATOM 0 H TYR A 71 -0.142 -8.511 5.564 1.00 1.00 H new ATOM 0 HA TYR A 71 -2.475 -10.220 5.020 1.00 1.00 H new ATOM 0 HB2 TYR A 71 -1.339 -7.723 3.692 1.00 1.00 H new ATOM 0 HB3 TYR A 71 -2.784 -8.561 3.160 1.00 1.00 H new ATOM 0 HD1 TYR A 71 -1.316 -6.573 5.913 1.00 1.00 H new ATOM 0 HD2 TYR A 71 -4.887 -8.279 4.334 1.00 1.00 H new ATOM 0 HE1 TYR A 71 -2.642 -5.270 7.513 1.00 1.00 H new ATOM 0 HE2 TYR A 71 -6.216 -6.966 5.932 1.00 1.00 H new ATOM 0 HH TYR A 71 -5.975 -5.860 8.064 1.00 1.00 H new ATOM 1203 N MET A 72 0.281 -10.889 3.862 1.00 1.00 N ATOM 1204 CA MET A 72 1.057 -11.741 2.954 1.00 1.00 C ATOM 1205 C MET A 72 1.278 -11.059 1.608 1.00 1.00 C ATOM 1206 O MET A 72 1.309 -11.720 0.567 1.00 1.00 O ATOM 1207 CB MET A 72 0.351 -13.086 2.737 1.00 1.00 C ATOM 1208 CG MET A 72 0.237 -13.937 3.989 1.00 1.00 C ATOM 1209 SD MET A 72 -0.651 -15.478 3.690 1.00 1.00 S ATOM 1210 CE MET A 72 0.390 -16.237 2.442 1.00 1.00 C ATOM 0 H MET A 72 0.766 -10.656 4.729 1.00 1.00 H new ATOM 0 HA MET A 72 2.027 -11.915 3.420 1.00 1.00 H new ATOM 0 HB2 MET A 72 -0.649 -12.900 2.345 1.00 1.00 H new ATOM 0 HB3 MET A 72 0.892 -13.649 1.976 1.00 1.00 H new ATOM 0 HG2 MET A 72 1.235 -14.162 4.365 1.00 1.00 H new ATOM 0 HG3 MET A 72 -0.275 -13.370 4.766 1.00 1.00 H new ATOM 0 HE1 MET A 72 0.183 -17.306 2.396 1.00 1.00 H new ATOM 0 HE2 MET A 72 0.183 -15.786 1.472 1.00 1.00 H new ATOM 0 HE3 MET A 72 1.438 -16.081 2.698 1.00 1.00 H new ATOM 1220 N LEU A 73 1.438 -9.742 1.629 1.00 1.00 N ATOM 1221 CA LEU A 73 1.650 -8.984 0.405 1.00 1.00 C ATOM 1222 C LEU A 73 2.961 -9.395 -0.254 1.00 1.00 C ATOM 1223 O LEU A 73 3.989 -9.531 0.412 1.00 1.00 O ATOM 1224 CB LEU A 73 1.644 -7.483 0.694 1.00 1.00 C ATOM 1225 CG LEU A 73 0.335 -6.940 1.275 1.00 1.00 C ATOM 1226 CD1 LEU A 73 0.449 -5.450 1.546 1.00 1.00 C ATOM 1227 CD2 LEU A 73 -0.825 -7.226 0.333 1.00 1.00 C ATOM 0 H LEU A 73 1.425 -9.178 2.479 1.00 1.00 H new ATOM 0 HA LEU A 73 0.833 -9.204 -0.282 1.00 1.00 H new ATOM 0 HB2 LEU A 73 2.453 -7.259 1.389 1.00 1.00 H new ATOM 0 HB3 LEU A 73 1.862 -6.949 -0.231 1.00 1.00 H new ATOM 0 HG LEU A 73 0.142 -7.446 2.221 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.491 -5.082 1.958 1.00 1.00 H new ATOM 0 HD12 LEU A 73 1.253 -5.270 2.259 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.666 -4.926 0.615 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -1.747 -6.833 0.762 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -0.639 -6.748 -0.629 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -0.921 -8.302 0.190 1.00 1.00 H new ATOM 1239 N ARG A 74 2.916 -9.607 -1.557 1.00 1.00 N ATOM 1240 CA ARG A 74 4.068 -10.099 -2.291 1.00 1.00 C ATOM 1241 C ARG A 74 4.513 -9.093 -3.337 1.00 1.00 C ATOM 1242 O ARG A 74 3.741 -8.218 -3.737 1.00 1.00 O ATOM 1243 CB ARG A 74 3.720 -11.417 -2.981 1.00 1.00 C ATOM 1244 CG ARG A 74 3.377 -12.548 -2.027 1.00 1.00 C ATOM 1245 CD ARG A 74 2.800 -13.736 -2.778 1.00 1.00 C ATOM 1246 NE ARG A 74 3.653 -14.150 -3.893 1.00 1.00 N ATOM 1247 CZ ARG A 74 3.196 -14.442 -5.112 1.00 1.00 C ATOM 1248 NH1 ARG A 74 1.899 -14.346 -5.381 1.00 1.00 N ATOM 1249 NH2 ARG A 74 4.046 -14.805 -6.066 1.00 1.00 N ATOM 0 H ARG A 74 2.089 -9.445 -2.131 1.00 1.00 H new ATOM 0 HA ARG A 74 4.881 -10.254 -1.582 1.00 1.00 H new ATOM 0 HB2 ARG A 74 2.875 -11.252 -3.650 1.00 1.00 H new ATOM 0 HB3 ARG A 74 4.562 -11.723 -3.601 1.00 1.00 H new ATOM 0 HG2 ARG A 74 4.271 -12.855 -1.485 1.00 1.00 H new ATOM 0 HG3 ARG A 74 2.659 -12.198 -1.285 1.00 1.00 H new ATOM 0 HD2 ARG A 74 2.672 -14.572 -2.090 1.00 1.00 H new ATOM 0 HD3 ARG A 74 1.810 -13.480 -3.155 1.00 1.00 H new ATOM 0 HE ARG A 74 4.657 -14.219 -3.728 1.00 1.00 H new ATOM 0 HH11 ARG A 74 1.248 -14.048 -4.654 1.00 1.00 H new ATOM 0 HH12 ARG A 74 1.554 -14.570 -6.314 1.00 1.00 H new ATOM 0 HH21 ARG A 74 5.045 -14.860 -5.865 1.00 1.00 H new ATOM 0 HH22 ARG A 74 3.700 -15.029 -6.999 1.00 1.00 H new ATOM 1263 N ASN A 75 5.757 -9.215 -3.778 1.00 1.00 N ATOM 1264 CA ASN A 75 6.244 -8.419 -4.891 1.00 1.00 C ATOM 1265 C ASN A 75 5.507 -8.824 -6.160 1.00 1.00 C ATOM 1266 O ASN A 75 5.633 -9.949 -6.639 1.00 1.00 O ATOM 1267 CB ASN A 75 7.766 -8.558 -5.069 1.00 1.00 C ATOM 1268 CG ASN A 75 8.247 -9.998 -5.076 1.00 1.00 C ATOM 1269 OD1 ASN A 75 8.324 -10.644 -6.121 1.00 1.00 O ATOM 1270 ND2 ASN A 75 8.589 -10.506 -3.904 1.00 1.00 N ATOM 0 H ASN A 75 6.444 -9.856 -3.382 1.00 1.00 H new ATOM 0 HA ASN A 75 6.047 -7.368 -4.678 1.00 1.00 H new ATOM 0 HB2 ASN A 75 8.059 -8.081 -6.004 1.00 1.00 H new ATOM 0 HB3 ASN A 75 8.268 -8.020 -4.265 1.00 1.00 H new ATOM 0 HD21 ASN A 75 8.931 -11.465 -3.844 1.00 1.00 H new ATOM 0 HD22 ASN A 75 8.511 -9.939 -3.060 1.00 1.00 H new ATOM 1277 N GLY A 76 4.710 -7.905 -6.678 1.00 1.00 N ATOM 1278 CA GLY A 76 3.892 -8.200 -7.835 1.00 1.00 C ATOM 1279 C GLY A 76 2.410 -8.087 -7.536 1.00 1.00 C ATOM 1280 O GLY A 76 1.592 -8.009 -8.455 1.00 1.00 O ATOM 0 H GLY A 76 4.614 -6.956 -6.317 1.00 1.00 H new ATOM 0 HA2 GLY A 76 4.150 -7.516 -8.644 1.00 1.00 H new ATOM 0 HA3 GLY A 76 4.114 -9.208 -8.186 1.00 1.00 H new ATOM 1284 N ASP A 77 2.061 -8.073 -6.251 1.00 1.00 N ATOM 1285 CA ASP A 77 0.663 -7.937 -5.837 1.00 1.00 C ATOM 1286 C ASP A 77 0.160 -6.528 -6.119 1.00 1.00 C ATOM 1287 O ASP A 77 0.951 -5.593 -6.259 1.00 1.00 O ATOM 1288 CB ASP A 77 0.490 -8.261 -4.346 1.00 1.00 C ATOM 1289 CG ASP A 77 -0.250 -9.565 -4.107 1.00 1.00 C ATOM 1290 OD1 ASP A 77 -1.492 -9.587 -4.258 1.00 1.00 O ATOM 1291 OD2 ASP A 77 0.404 -10.575 -3.759 1.00 1.00 O ATOM 0 H ASP A 77 2.723 -8.154 -5.480 1.00 1.00 H new ATOM 0 HA ASP A 77 0.076 -8.651 -6.415 1.00 1.00 H new ATOM 0 HB2 ASP A 77 1.471 -8.314 -3.875 1.00 1.00 H new ATOM 0 HB3 ASP A 77 -0.052 -7.448 -3.863 1.00 1.00 H new ATOM 1296 N THR A 78 -1.150 -6.375 -6.211 1.00 1.00 N ATOM 1297 CA THR A 78 -1.741 -5.080 -6.497 1.00 1.00 C ATOM 1298 C THR A 78 -2.536 -4.572 -5.296 1.00 1.00 C ATOM 1299 O THR A 78 -3.299 -5.321 -4.682 1.00 1.00 O ATOM 1300 CB THR A 78 -2.666 -5.156 -7.731 1.00 1.00 C ATOM 1301 OG1 THR A 78 -1.981 -5.795 -8.819 1.00 1.00 O ATOM 1302 CG2 THR A 78 -3.115 -3.766 -8.164 1.00 1.00 C ATOM 0 H THR A 78 -1.824 -7.131 -6.092 1.00 1.00 H new ATOM 0 HA THR A 78 -0.928 -4.385 -6.707 1.00 1.00 H new ATOM 0 HB THR A 78 -3.546 -5.738 -7.457 1.00 1.00 H new ATOM 0 HG1 THR A 78 -2.575 -5.841 -9.597 1.00 1.00 H new ATOM 0 HG21 THR A 78 -3.765 -3.849 -9.035 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.659 -3.289 -7.349 1.00 1.00 H new ATOM 0 HG23 THR A 78 -2.242 -3.165 -8.419 1.00 1.00 H new ATOM 1310 N MET A 79 -2.333 -3.310 -4.948 1.00 1.00 N ATOM 1311 CA MET A 79 -3.098 -2.681 -3.887 1.00 1.00 C ATOM 1312 C MET A 79 -3.491 -1.278 -4.312 1.00 1.00 C ATOM 1313 O MET A 79 -2.658 -0.507 -4.780 1.00 1.00 O ATOM 1314 CB MET A 79 -2.283 -2.628 -2.603 1.00 1.00 C ATOM 1315 CG MET A 79 -3.115 -2.382 -1.359 1.00 1.00 C ATOM 1316 SD MET A 79 -2.239 -2.826 0.150 1.00 1.00 S ATOM 1317 CE MET A 79 -0.726 -1.901 -0.066 1.00 1.00 C ATOM 0 H MET A 79 -1.642 -2.702 -5.388 1.00 1.00 H new ATOM 0 HA MET A 79 -3.997 -3.269 -3.700 1.00 1.00 H new ATOM 0 HB2 MET A 79 -1.743 -3.568 -2.488 1.00 1.00 H new ATOM 0 HB3 MET A 79 -1.536 -1.840 -2.691 1.00 1.00 H new ATOM 0 HG2 MET A 79 -3.397 -1.330 -1.316 1.00 1.00 H new ATOM 0 HG3 MET A 79 -4.038 -2.958 -1.423 1.00 1.00 H new ATOM 0 HE1 MET A 79 -0.228 -1.788 0.897 1.00 1.00 H new ATOM 0 HE2 MET A 79 -0.069 -2.433 -0.754 1.00 1.00 H new ATOM 0 HE3 MET A 79 -0.956 -0.916 -0.473 1.00 1.00 H new ATOM 1327 N GLU A 80 -4.752 -0.946 -4.148 1.00 1.00 N ATOM 1328 CA GLU A 80 -5.255 0.332 -4.599 1.00 1.00 C ATOM 1329 C GLU A 80 -5.324 1.328 -3.448 1.00 1.00 C ATOM 1330 O GLU A 80 -6.143 1.191 -2.541 1.00 1.00 O ATOM 1331 CB GLU A 80 -6.630 0.150 -5.246 1.00 1.00 C ATOM 1332 CG GLU A 80 -6.605 -0.807 -6.430 1.00 1.00 C ATOM 1333 CD GLU A 80 -7.955 -0.960 -7.102 1.00 1.00 C ATOM 1334 OE1 GLU A 80 -8.366 -0.033 -7.831 1.00 1.00 O ATOM 1335 OE2 GLU A 80 -8.593 -2.020 -6.939 1.00 1.00 O ATOM 0 H GLU A 80 -5.449 -1.544 -3.705 1.00 1.00 H new ATOM 0 HA GLU A 80 -4.568 0.735 -5.343 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -7.331 -0.222 -4.499 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -7.002 1.120 -5.577 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -5.880 -0.450 -7.162 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -6.262 -1.785 -6.092 1.00 1.00 H new ATOM 1342 N TYR A 81 -4.434 2.310 -3.474 1.00 1.00 N ATOM 1343 CA TYR A 81 -4.494 3.414 -2.528 1.00 1.00 C ATOM 1344 C TYR A 81 -5.628 4.350 -2.939 1.00 1.00 C ATOM 1345 O TYR A 81 -5.506 5.114 -3.897 1.00 1.00 O ATOM 1346 CB TYR A 81 -3.162 4.182 -2.496 1.00 1.00 C ATOM 1347 CG TYR A 81 -3.079 5.243 -1.424 1.00 1.00 C ATOM 1348 CD1 TYR A 81 -2.607 4.929 -0.158 1.00 1.00 C ATOM 1349 CD2 TYR A 81 -3.453 6.555 -1.677 1.00 1.00 C ATOM 1350 CE1 TYR A 81 -2.511 5.889 0.825 1.00 1.00 C ATOM 1351 CE2 TYR A 81 -3.363 7.523 -0.696 1.00 1.00 C ATOM 1352 CZ TYR A 81 -2.889 7.183 0.554 1.00 1.00 C ATOM 1353 OH TYR A 81 -2.788 8.141 1.537 1.00 1.00 O ATOM 0 H TYR A 81 -3.663 2.364 -4.139 1.00 1.00 H new ATOM 0 HA TYR A 81 -4.677 3.020 -1.528 1.00 1.00 H new ATOM 0 HB2 TYR A 81 -2.350 3.470 -2.349 1.00 1.00 H new ATOM 0 HB3 TYR A 81 -3.003 4.651 -3.467 1.00 1.00 H new ATOM 0 HD1 TYR A 81 -2.310 3.914 0.061 1.00 1.00 H new ATOM 0 HD2 TYR A 81 -3.820 6.823 -2.656 1.00 1.00 H new ATOM 0 HE1 TYR A 81 -2.140 5.626 1.805 1.00 1.00 H new ATOM 0 HE2 TYR A 81 -3.662 8.539 -0.906 1.00 1.00 H new ATOM 0 HH TYR A 81 -2.010 7.950 2.101 1.00 1.00 H new ATOM 1363 N ARG A 82 -6.733 4.276 -2.222 1.00 1.00 N ATOM 1364 CA ARG A 82 -7.921 5.035 -2.580 1.00 1.00 C ATOM 1365 C ARG A 82 -8.693 5.438 -1.334 1.00 1.00 C ATOM 1366 O ARG A 82 -8.379 4.991 -0.233 1.00 1.00 O ATOM 1367 CB ARG A 82 -8.806 4.221 -3.534 1.00 1.00 C ATOM 1368 CG ARG A 82 -9.157 2.835 -3.019 1.00 1.00 C ATOM 1369 CD ARG A 82 -9.874 2.006 -4.075 1.00 1.00 C ATOM 1370 NE ARG A 82 -11.190 2.547 -4.419 1.00 1.00 N ATOM 1371 CZ ARG A 82 -11.713 2.510 -5.646 1.00 1.00 C ATOM 1372 NH1 ARG A 82 -10.997 2.053 -6.665 1.00 1.00 N ATOM 1373 NH2 ARG A 82 -12.942 2.960 -5.862 1.00 1.00 N ATOM 0 H ARG A 82 -6.835 3.698 -1.387 1.00 1.00 H new ATOM 0 HA ARG A 82 -7.611 5.945 -3.094 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -9.728 4.773 -3.719 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -8.296 4.123 -4.492 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -8.247 2.321 -2.709 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -9.789 2.925 -2.136 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -9.259 1.959 -4.974 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -9.989 0.984 -3.713 1.00 1.00 H new ATOM 0 HE ARG A 82 -11.740 2.978 -3.676 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -10.042 1.728 -6.512 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -11.401 2.027 -7.601 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -13.491 3.336 -5.089 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -13.338 2.930 -6.801 1.00 1.00 H new ATOM 1387 N LYS A 83 -9.694 6.283 -1.510 1.00 1.00 N ATOM 1388 CA LYS A 83 -10.457 6.813 -0.391 1.00 1.00 C ATOM 1389 C LYS A 83 -11.401 5.757 0.168 1.00 1.00 C ATOM 1390 O LYS A 83 -12.269 5.244 -0.545 1.00 1.00 O ATOM 1391 CB LYS A 83 -11.238 8.048 -0.839 1.00 1.00 C ATOM 1392 CG LYS A 83 -12.022 8.723 0.274 1.00 1.00 C ATOM 1393 CD LYS A 83 -12.621 10.034 -0.200 1.00 1.00 C ATOM 1394 CE LYS A 83 -13.424 10.715 0.892 1.00 1.00 C ATOM 1395 NZ LYS A 83 -13.864 12.069 0.478 1.00 1.00 N ATOM 0 H LYS A 83 -10.000 6.619 -2.423 1.00 1.00 H new ATOM 0 HA LYS A 83 -9.766 7.098 0.402 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -10.542 8.769 -1.268 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.928 7.760 -1.632 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -12.816 8.060 0.618 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.367 8.905 1.126 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -11.824 10.699 -0.533 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -13.263 9.850 -1.062 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -14.295 10.107 1.137 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -12.821 10.788 1.797 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -14.410 12.507 1.247 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -13.031 12.655 0.267 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -14.460 11.996 -0.371 1.00 1.00 H new ATOM 1409 N LYS A 84 -11.231 5.432 1.443 1.00 1.00 N ATOM 1410 CA LYS A 84 -12.063 4.424 2.076 1.00 1.00 C ATOM 1411 C LYS A 84 -13.447 4.988 2.370 1.00 1.00 C ATOM 1412 O LYS A 84 -13.582 6.122 2.832 1.00 1.00 O ATOM 1413 CB LYS A 84 -11.415 3.880 3.357 1.00 1.00 C ATOM 1414 CG LYS A 84 -11.014 4.944 4.369 1.00 1.00 C ATOM 1415 CD LYS A 84 -10.738 4.331 5.736 1.00 1.00 C ATOM 1416 CE LYS A 84 -9.555 3.373 5.716 1.00 1.00 C ATOM 1417 NZ LYS A 84 -8.256 4.081 5.867 1.00 1.00 N ATOM 0 H LYS A 84 -10.529 5.850 2.053 1.00 1.00 H new ATOM 0 HA LYS A 84 -12.164 3.590 1.381 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -12.110 3.188 3.834 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -10.530 3.306 3.084 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -10.125 5.468 4.017 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -11.808 5.686 4.454 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -10.545 5.127 6.455 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -11.626 3.800 6.079 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -9.666 2.645 6.520 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -9.557 2.816 4.779 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -7.481 3.449 5.581 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -8.251 4.929 5.265 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -8.126 4.361 6.860 1.00 1.00 H new ATOM 1431 N GLN A 85 -14.470 4.198 2.079 1.00 1.00 N ATOM 1432 CA GLN A 85 -15.847 4.627 2.259 1.00 1.00 C ATOM 1433 C GLN A 85 -16.234 4.570 3.730 1.00 1.00 C ATOM 1434 O GLN A 85 -16.298 5.638 4.372 1.00 1.00 O ATOM 1435 CB GLN A 85 -16.789 3.754 1.426 1.00 1.00 C ATOM 1436 CG GLN A 85 -16.521 3.829 -0.069 1.00 1.00 C ATOM 1437 CD GLN A 85 -17.437 2.932 -0.877 1.00 1.00 C ATOM 1438 OE1 GLN A 85 -17.876 1.883 -0.407 1.00 1.00 O ATOM 1439 NE2 GLN A 85 -17.735 3.339 -2.101 1.00 1.00 N ATOM 1440 OXT GLN A 85 -16.452 3.456 4.248 1.00 1.00 O ATOM 0 H GLN A 85 -14.370 3.250 1.715 1.00 1.00 H new ATOM 0 HA GLN A 85 -15.936 5.658 1.918 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -16.696 2.718 1.752 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -17.818 4.057 1.618 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -16.642 4.859 -0.404 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -15.485 3.551 -0.262 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -17.351 4.215 -2.455 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -18.349 2.776 -2.690 1.00 1.00 H new