USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 622 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 GLN : amide:sc= 0 K(o=0.49,f=-0.028) USER MOD Set 1.2: A 97 CYS SG : rot 46:sc= 0.489! USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot 130:sc= -0.0518 USER MOD Single : A 23 THR OG1 : rot 71:sc= 0.465 USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= 1.38 (180deg=0.916) USER MOD Single : A 29 TYR OH : rot 80:sc= 0.821 USER MOD Single : A 32 GLN : amide:sc= -0.0767 X(o=-0.077,f=-0.14) USER MOD Single : A 67 SER OG : rot 40:sc= 0.057 USER MOD Single : A 70 HIS : no HD1:sc= 1.06 K(o=1.1,f=-4.7!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -173:sc= 0.63 USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= 0.821 (180deg=0.734) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -159:sc= 1.19 USER MOD Single : A 81 ASN : amide:sc= -1.26! K(o=-1.3!,f=-0.047) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.00477 USER MOD Single : A 84 SER OG : rot 23:sc= -1.75! USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.2) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= -0.969 USER MOD Single : A 103 CYS SG : rot 162:sc= 0.0964 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 77:sc= 1.24 USER MOD Single : A 115 SER OG : rot 85:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -14.023 7.873 0.568 1.00 0.00 N ATOM 131 CA ASN A 11 -13.113 8.476 1.529 1.00 0.00 C ATOM 132 C ASN A 11 -13.746 8.441 2.912 1.00 0.00 C ATOM 133 O ASN A 11 -13.202 8.974 3.884 1.00 0.00 O ATOM 134 CB ASN A 11 -12.818 9.936 1.147 1.00 0.00 C ATOM 135 CG ASN A 11 -12.375 10.101 -0.293 1.00 0.00 C ATOM 136 OD1 ASN A 11 -13.202 10.330 -1.178 1.00 0.00 O ATOM 137 ND2 ASN A 11 -11.084 9.995 -0.539 1.00 0.00 N ATOM 0 HA ASN A 11 -12.179 7.914 1.529 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -13.712 10.536 1.316 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.042 10.327 1.806 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.736 10.103 -1.492 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.434 9.805 0.223 1.00 0.00 H new ATOM 144 N ALA A 12 -14.907 7.811 2.989 1.00 0.00 N ATOM 145 CA ALA A 12 -15.651 7.722 4.221 1.00 0.00 C ATOM 146 C ALA A 12 -16.252 6.338 4.388 1.00 0.00 C ATOM 147 O ALA A 12 -16.651 5.696 3.412 1.00 0.00 O ATOM 148 CB ALA A 12 -16.755 8.778 4.246 1.00 0.00 C ATOM 0 H ALA A 12 -15.354 7.350 2.197 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.966 7.903 5.049 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.310 8.702 5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.311 9.770 4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -17.432 8.616 3.407 1.00 0.00 H new ATOM 154 N VAL A 13 -16.311 5.884 5.618 1.00 0.00 N ATOM 155 CA VAL A 13 -16.920 4.606 5.935 1.00 0.00 C ATOM 156 C VAL A 13 -18.097 4.822 6.857 1.00 0.00 C ATOM 157 O VAL A 13 -18.157 5.820 7.563 1.00 0.00 O ATOM 158 CB VAL A 13 -15.918 3.625 6.606 1.00 0.00 C ATOM 159 CG1 VAL A 13 -14.836 3.206 5.629 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.296 4.251 7.852 1.00 0.00 C ATOM 0 H VAL A 13 -15.941 6.385 6.426 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.245 4.158 4.996 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.472 2.736 6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.147 2.520 6.121 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.292 2.710 4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.291 4.087 5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.599 3.546 8.304 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.764 5.161 7.575 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.081 4.494 8.568 1.00 0.00 H new ATOM 170 N VAL A 14 -19.025 3.910 6.844 1.00 0.00 N ATOM 171 CA VAL A 14 -20.191 4.007 7.682 1.00 0.00 C ATOM 172 C VAL A 14 -20.183 2.876 8.679 1.00 0.00 C ATOM 173 O VAL A 14 -20.056 1.705 8.304 1.00 0.00 O ATOM 174 CB VAL A 14 -21.492 3.952 6.851 1.00 0.00 C ATOM 175 CG1 VAL A 14 -22.717 4.044 7.752 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.510 5.061 5.813 1.00 0.00 C ATOM 0 H VAL A 14 -18.998 3.078 6.254 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.161 4.967 8.198 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.522 2.993 6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.620 4.003 7.143 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.715 3.211 8.455 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -22.693 4.984 8.303 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.434 5.006 5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.451 6.028 6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.658 4.946 5.143 1.00 0.00 H new ATOM 186 N VAL A 15 -20.305 3.218 9.939 1.00 0.00 N ATOM 187 CA VAL A 15 -20.306 2.230 10.982 1.00 0.00 C ATOM 188 C VAL A 15 -21.661 2.224 11.663 1.00 0.00 C ATOM 189 O VAL A 15 -22.199 3.285 12.002 1.00 0.00 O ATOM 190 CB VAL A 15 -19.201 2.503 12.028 1.00 0.00 C ATOM 191 CG1 VAL A 15 -19.090 1.344 13.000 1.00 0.00 C ATOM 192 CG2 VAL A 15 -17.864 2.771 11.353 1.00 0.00 C ATOM 0 H VAL A 15 -20.405 4.179 10.265 1.00 0.00 H new ATOM 0 HA VAL A 15 -20.105 1.258 10.531 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.478 3.396 12.588 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.307 1.554 13.729 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -20.040 1.210 13.517 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.843 0.434 12.454 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.105 2.960 12.112 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.576 1.903 10.759 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.952 3.642 10.704 1.00 0.00 H new ATOM 202 N PHE A 16 -22.218 1.048 11.842 1.00 0.00 N ATOM 203 CA PHE A 16 -23.530 0.912 12.442 1.00 0.00 C ATOM 204 C PHE A 16 -23.585 -0.295 13.364 1.00 0.00 C ATOM 205 O PHE A 16 -22.706 -1.163 13.322 1.00 0.00 O ATOM 206 CB PHE A 16 -24.609 0.818 11.350 1.00 0.00 C ATOM 207 CG PHE A 16 -24.414 -0.323 10.379 1.00 0.00 C ATOM 208 CD1 PHE A 16 -23.614 -0.166 9.255 1.00 0.00 C ATOM 209 CD2 PHE A 16 -25.032 -1.549 10.588 1.00 0.00 C ATOM 210 CE1 PHE A 16 -23.432 -1.208 8.364 1.00 0.00 C ATOM 211 CE2 PHE A 16 -24.853 -2.592 9.699 1.00 0.00 C ATOM 212 CZ PHE A 16 -24.053 -2.420 8.587 1.00 0.00 C ATOM 0 H PHE A 16 -21.781 0.165 11.579 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.725 1.799 13.045 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -25.583 0.711 11.827 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.628 1.755 10.793 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.128 0.781 9.074 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -25.660 -1.689 11.455 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -22.805 -1.073 7.495 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -25.338 -3.541 9.874 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.913 -3.234 7.891 1.00 0.00 H new ATOM 222 N GLY A 17 -24.614 -0.344 14.194 1.00 0.00 N ATOM 223 CA GLY A 17 -24.765 -1.438 15.131 1.00 0.00 C ATOM 224 C GLY A 17 -24.831 -0.950 16.560 1.00 0.00 C ATOM 225 O GLY A 17 -25.146 -1.709 17.472 1.00 0.00 O ATOM 0 H GLY A 17 -25.352 0.359 14.236 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.672 -1.995 14.895 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.929 -2.128 15.021 1.00 0.00 H new ATOM 229 N TYR A 18 -24.540 0.321 16.751 1.00 0.00 N ATOM 230 CA TYR A 18 -24.572 0.929 18.070 1.00 0.00 C ATOM 231 C TYR A 18 -25.556 2.095 18.113 1.00 0.00 C ATOM 232 O TYR A 18 -26.292 2.329 17.150 1.00 0.00 O ATOM 233 CB TYR A 18 -23.171 1.375 18.504 1.00 0.00 C ATOM 234 CG TYR A 18 -22.420 2.196 17.479 1.00 0.00 C ATOM 235 CD1 TYR A 18 -22.690 3.547 17.297 1.00 0.00 C ATOM 236 CD2 TYR A 18 -21.424 1.620 16.709 1.00 0.00 C ATOM 237 CE1 TYR A 18 -21.988 4.294 16.373 1.00 0.00 C ATOM 238 CE2 TYR A 18 -20.722 2.359 15.787 1.00 0.00 C ATOM 239 CZ TYR A 18 -21.006 3.696 15.622 1.00 0.00 C ATOM 240 OH TYR A 18 -20.301 4.433 14.705 1.00 0.00 O ATOM 0 H TYR A 18 -24.276 0.961 16.002 1.00 0.00 H new ATOM 0 HA TYR A 18 -24.917 0.175 18.777 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -23.258 1.957 19.421 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -22.581 0.490 18.743 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -23.461 4.020 17.888 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -21.195 0.572 16.835 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -22.210 5.343 16.241 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -19.950 1.892 15.194 1.00 0.00 H new ATOM 0 HH TYR A 18 -19.341 4.288 14.838 1.00 0.00 H new ATOM 250 N ARG A 19 -25.573 2.821 19.230 1.00 0.00 N ATOM 251 CA ARG A 19 -26.502 3.930 19.402 1.00 0.00 C ATOM 252 C ARG A 19 -25.785 5.135 20.046 1.00 0.00 C ATOM 253 O ARG A 19 -24.666 5.007 20.524 1.00 0.00 O ATOM 254 CB ARG A 19 -27.687 3.465 20.263 1.00 0.00 C ATOM 255 CG ARG A 19 -28.898 4.382 20.225 1.00 0.00 C ATOM 256 CD ARG A 19 -30.045 3.812 21.045 1.00 0.00 C ATOM 257 NE ARG A 19 -29.750 3.803 22.478 1.00 0.00 N ATOM 258 CZ ARG A 19 -30.071 2.801 23.309 1.00 0.00 C ATOM 259 NH1 ARG A 19 -30.582 1.669 22.831 1.00 0.00 N ATOM 260 NH2 ARG A 19 -29.864 2.931 24.614 1.00 0.00 N ATOM 0 H ARG A 19 -24.955 2.660 20.025 1.00 0.00 H new ATOM 0 HA ARG A 19 -26.877 4.250 18.430 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -27.990 2.471 19.933 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -27.353 3.370 21.296 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -28.626 5.365 20.610 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -29.220 4.522 19.193 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -30.945 4.400 20.865 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -30.256 2.796 20.713 1.00 0.00 H new ATOM 0 HE ARG A 19 -29.269 4.612 22.871 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -30.731 1.560 21.828 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -30.824 0.910 23.468 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -29.461 3.792 24.983 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -30.108 2.170 25.247 1.00 0.00 H new ATOM 274 N GLU A 20 -26.448 6.289 20.063 1.00 0.00 N ATOM 275 CA GLU A 20 -25.874 7.542 20.595 1.00 0.00 C ATOM 276 C GLU A 20 -25.456 7.415 22.072 1.00 0.00 C ATOM 277 O GLU A 20 -24.528 8.079 22.527 1.00 0.00 O ATOM 278 CB GLU A 20 -26.899 8.667 20.456 1.00 0.00 C ATOM 279 CG GLU A 20 -26.390 10.041 20.851 1.00 0.00 C ATOM 280 CD GLU A 20 -27.492 11.074 20.856 1.00 0.00 C ATOM 281 OE1 GLU A 20 -27.733 11.701 19.810 1.00 0.00 O ATOM 282 OE2 GLU A 20 -28.128 11.264 21.914 1.00 0.00 O ATOM 0 H GLU A 20 -27.400 6.391 19.710 1.00 0.00 H new ATOM 0 HA GLU A 20 -24.977 7.763 20.017 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -27.239 8.704 19.421 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -27.768 8.426 21.069 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -25.938 9.989 21.841 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -25.607 10.350 20.159 1.00 0.00 H new ATOM 289 N ALA A 21 -26.140 6.560 22.807 1.00 0.00 N ATOM 290 CA ALA A 21 -25.880 6.393 24.237 1.00 0.00 C ATOM 291 C ALA A 21 -24.496 5.792 24.530 1.00 0.00 C ATOM 292 O ALA A 21 -24.034 5.830 25.671 1.00 0.00 O ATOM 293 CB ALA A 21 -26.968 5.541 24.873 1.00 0.00 C ATOM 0 H ALA A 21 -26.884 5.965 22.443 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.889 7.390 24.676 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.763 5.424 25.937 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.935 6.027 24.741 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.987 4.560 24.397 1.00 0.00 H new ATOM 299 N ILE A 22 -23.838 5.242 23.517 1.00 0.00 N ATOM 300 CA ILE A 22 -22.532 4.607 23.732 1.00 0.00 C ATOM 301 C ILE A 22 -21.375 5.433 23.168 1.00 0.00 C ATOM 302 O ILE A 22 -20.248 4.933 23.079 1.00 0.00 O ATOM 303 CB ILE A 22 -22.479 3.156 23.157 1.00 0.00 C ATOM 304 CG1 ILE A 22 -22.694 3.130 21.629 1.00 0.00 C ATOM 305 CG2 ILE A 22 -23.506 2.273 23.850 1.00 0.00 C ATOM 306 CD1 ILE A 22 -21.429 3.341 20.805 1.00 0.00 C ATOM 0 H ILE A 22 -24.174 5.219 22.554 1.00 0.00 H new ATOM 0 HA ILE A 22 -22.411 4.554 24.814 1.00 0.00 H new ATOM 0 HB ILE A 22 -21.480 2.765 23.353 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -23.135 2.172 21.354 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -23.417 3.902 21.364 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -23.456 1.265 23.438 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -23.295 2.239 24.919 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -24.504 2.681 23.690 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.676 3.307 19.744 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -20.996 4.312 21.046 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -20.709 2.555 21.035 1.00 0.00 H new ATOM 318 N THR A 23 -21.637 6.701 22.830 1.00 0.00 N ATOM 319 CA THR A 23 -20.616 7.556 22.211 1.00 0.00 C ATOM 320 C THR A 23 -19.314 7.541 22.994 1.00 0.00 C ATOM 321 O THR A 23 -18.258 7.356 22.417 1.00 0.00 O ATOM 322 CB THR A 23 -21.087 9.022 22.090 1.00 0.00 C ATOM 323 OG1 THR A 23 -22.268 9.095 21.295 1.00 0.00 O ATOM 324 CG2 THR A 23 -19.997 9.885 21.459 1.00 0.00 C ATOM 0 H THR A 23 -22.539 7.155 22.973 1.00 0.00 H new ATOM 0 HA THR A 23 -20.450 7.142 21.216 1.00 0.00 H new ATOM 0 HB THR A 23 -21.301 9.395 23.092 1.00 0.00 H new ATOM 0 HG1 THR A 23 -23.022 8.717 21.794 1.00 0.00 H new ATOM 0 HG21 THR A 23 -20.347 10.914 21.382 1.00 0.00 H new ATOM 0 HG22 THR A 23 -19.102 9.852 22.080 1.00 0.00 H new ATOM 0 HG23 THR A 23 -19.763 9.506 20.464 1.00 0.00 H new ATOM 332 N LYS A 24 -19.412 7.683 24.310 1.00 0.00 N ATOM 333 CA LYS A 24 -18.250 7.752 25.181 1.00 0.00 C ATOM 334 C LYS A 24 -17.311 6.541 24.977 1.00 0.00 C ATOM 335 O LYS A 24 -16.088 6.677 25.051 1.00 0.00 O ATOM 336 CB LYS A 24 -18.706 7.780 26.637 1.00 0.00 C ATOM 337 CG LYS A 24 -19.816 8.789 26.948 1.00 0.00 C ATOM 338 CD LYS A 24 -19.461 10.212 26.551 1.00 0.00 C ATOM 339 CE LYS A 24 -20.397 11.193 27.226 1.00 0.00 C ATOM 340 NZ LYS A 24 -20.331 12.522 26.606 1.00 0.00 N ATOM 0 H LYS A 24 -20.302 7.754 24.802 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.701 8.660 24.932 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -19.053 6.784 26.913 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -17.845 8.003 27.267 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -20.726 8.490 26.428 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -20.035 8.761 28.015 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.431 10.429 26.832 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -19.526 10.322 25.469 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -21.419 10.817 27.172 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -20.141 11.271 28.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -21.045 13.143 27.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.385 12.927 26.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -20.517 12.439 25.586 1.00 0.00 H new ATOM 354 N GLN A 25 -17.893 5.365 24.725 1.00 0.00 N ATOM 355 CA GLN A 25 -17.111 4.134 24.574 1.00 0.00 C ATOM 356 C GLN A 25 -16.312 4.112 23.256 1.00 0.00 C ATOM 357 O GLN A 25 -15.088 3.991 23.267 1.00 0.00 O ATOM 358 CB GLN A 25 -18.024 2.908 24.656 1.00 0.00 C ATOM 359 CG GLN A 25 -18.707 2.728 26.005 1.00 0.00 C ATOM 360 CD GLN A 25 -19.561 1.466 26.071 1.00 0.00 C ATOM 361 OE1 GLN A 25 -19.235 0.450 25.455 1.00 0.00 O ATOM 362 NE2 GLN A 25 -20.650 1.525 26.814 1.00 0.00 N ATOM 0 H GLN A 25 -18.900 5.239 24.621 1.00 0.00 H new ATOM 0 HA GLN A 25 -16.393 4.105 25.394 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.788 2.985 23.882 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.437 2.016 24.437 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -17.950 2.690 26.788 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.334 3.596 26.209 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -20.884 2.386 27.308 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -21.258 0.710 26.894 1.00 0.00 H new ATOM 371 N ILE A 26 -17.012 4.250 22.127 1.00 0.00 N ATOM 372 CA ILE A 26 -16.364 4.233 20.799 1.00 0.00 C ATOM 373 C ILE A 26 -15.484 5.483 20.608 1.00 0.00 C ATOM 374 O ILE A 26 -14.529 5.490 19.817 1.00 0.00 O ATOM 375 CB ILE A 26 -17.424 4.122 19.649 1.00 0.00 C ATOM 376 CG1 ILE A 26 -18.183 2.792 19.744 1.00 0.00 C ATOM 377 CG2 ILE A 26 -16.788 4.267 18.272 1.00 0.00 C ATOM 378 CD1 ILE A 26 -17.316 1.564 19.551 1.00 0.00 C ATOM 0 H ILE A 26 -18.024 4.375 22.098 1.00 0.00 H new ATOM 0 HA ILE A 26 -15.726 3.350 20.751 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.127 4.945 19.776 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -18.666 2.732 20.719 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -18.975 2.785 18.995 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -17.558 4.184 17.505 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -16.304 5.240 18.196 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -16.047 3.481 18.129 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.931 0.668 19.634 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -16.853 1.597 18.565 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -16.540 1.543 20.316 1.00 0.00 H new ATOM 390 N LEU A 27 -15.802 6.512 21.373 1.00 0.00 N ATOM 391 CA LEU A 27 -15.098 7.791 21.338 1.00 0.00 C ATOM 392 C LEU A 27 -13.620 7.605 21.697 1.00 0.00 C ATOM 393 O LEU A 27 -12.744 8.188 21.074 1.00 0.00 O ATOM 394 CB LEU A 27 -15.752 8.734 22.355 1.00 0.00 C ATOM 395 CG LEU A 27 -15.283 10.184 22.380 1.00 0.00 C ATOM 396 CD1 LEU A 27 -15.689 10.902 21.108 1.00 0.00 C ATOM 397 CD2 LEU A 27 -15.861 10.888 23.591 1.00 0.00 C ATOM 0 H LEU A 27 -16.567 6.487 22.047 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.159 8.208 20.333 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.826 8.732 22.171 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.598 8.314 23.349 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.195 10.199 22.444 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.344 11.935 21.147 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.241 10.402 20.249 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.775 10.885 21.011 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.523 11.924 23.605 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.950 10.862 23.542 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.526 10.385 24.498 1.00 0.00 H new ATOM 409 N ALA A 28 -13.365 6.782 22.694 1.00 0.00 N ATOM 410 CA ALA A 28 -12.007 6.538 23.167 1.00 0.00 C ATOM 411 C ALA A 28 -11.128 5.852 22.114 1.00 0.00 C ATOM 412 O ALA A 28 -9.926 6.104 22.041 1.00 0.00 O ATOM 413 CB ALA A 28 -12.037 5.718 24.449 1.00 0.00 C ATOM 0 H ALA A 28 -14.084 6.264 23.200 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.558 7.511 23.367 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.018 5.542 24.792 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.590 6.261 25.216 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.525 4.762 24.258 1.00 0.00 H new ATOM 419 N TYR A 29 -11.720 4.978 21.312 1.00 0.00 N ATOM 420 CA TYR A 29 -10.950 4.221 20.329 1.00 0.00 C ATOM 421 C TYR A 29 -10.906 4.916 18.955 1.00 0.00 C ATOM 422 O TYR A 29 -9.874 5.447 18.551 1.00 0.00 O ATOM 423 CB TYR A 29 -11.506 2.793 20.189 1.00 0.00 C ATOM 424 CG TYR A 29 -10.648 1.870 19.338 1.00 0.00 C ATOM 425 CD1 TYR A 29 -9.560 1.205 19.886 1.00 0.00 C ATOM 426 CD2 TYR A 29 -10.930 1.661 17.994 1.00 0.00 C ATOM 427 CE1 TYR A 29 -8.778 0.362 19.121 1.00 0.00 C ATOM 428 CE2 TYR A 29 -10.154 0.821 17.221 1.00 0.00 C ATOM 429 CZ TYR A 29 -9.079 0.173 17.788 1.00 0.00 C ATOM 430 OH TYR A 29 -8.306 -0.673 17.020 1.00 0.00 O ATOM 0 H TYR A 29 -12.720 4.775 21.320 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.926 4.171 20.698 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.613 2.358 21.183 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.505 2.845 19.755 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.321 1.349 20.929 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.773 2.166 17.545 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.935 -0.147 19.564 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.389 0.673 16.177 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.572 -1.601 17.187 1.00 0.00 H new ATOM 440 N PHE A 30 -12.029 4.898 18.250 1.00 0.00 N ATOM 441 CA PHE A 30 -12.110 5.437 16.888 1.00 0.00 C ATOM 442 C PHE A 30 -11.986 6.964 16.847 1.00 0.00 C ATOM 443 O PHE A 30 -11.366 7.523 15.941 1.00 0.00 O ATOM 444 CB PHE A 30 -13.418 5.007 16.221 1.00 0.00 C ATOM 445 CG PHE A 30 -13.511 3.538 15.925 1.00 0.00 C ATOM 446 CD1 PHE A 30 -13.992 2.655 16.876 1.00 0.00 C ATOM 447 CD2 PHE A 30 -13.137 3.042 14.684 1.00 0.00 C ATOM 448 CE1 PHE A 30 -14.094 1.307 16.601 1.00 0.00 C ATOM 449 CE2 PHE A 30 -13.235 1.697 14.407 1.00 0.00 C ATOM 450 CZ PHE A 30 -13.715 0.827 15.365 1.00 0.00 C ATOM 0 H PHE A 30 -12.907 4.513 18.598 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.262 5.027 16.339 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.250 5.288 16.866 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.536 5.561 15.290 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -14.291 3.026 17.845 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.765 3.718 13.928 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -14.470 0.629 17.353 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.936 1.322 13.439 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.794 -0.228 15.147 1.00 0.00 H new ATOM 460 N ALA A 31 -12.566 7.635 17.827 1.00 0.00 N ATOM 461 CA ALA A 31 -12.587 9.098 17.833 1.00 0.00 C ATOM 462 C ALA A 31 -11.279 9.689 18.313 1.00 0.00 C ATOM 463 O ALA A 31 -11.109 10.901 18.315 1.00 0.00 O ATOM 464 CB ALA A 31 -13.733 9.626 18.660 1.00 0.00 C ATOM 0 H ALA A 31 -13.027 7.200 18.626 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.730 9.410 16.798 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.721 10.716 18.645 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.676 9.268 18.246 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.631 9.277 19.687 1.00 0.00 H new ATOM 470 N GLN A 32 -10.364 8.831 18.719 1.00 0.00 N ATOM 471 CA GLN A 32 -9.067 9.262 19.210 1.00 0.00 C ATOM 472 C GLN A 32 -8.329 10.048 18.120 1.00 0.00 C ATOM 473 O GLN A 32 -7.546 10.951 18.405 1.00 0.00 O ATOM 474 CB GLN A 32 -8.246 8.038 19.624 1.00 0.00 C ATOM 475 CG GLN A 32 -6.980 8.357 20.396 1.00 0.00 C ATOM 476 CD GLN A 32 -7.273 8.963 21.758 1.00 0.00 C ATOM 477 OE1 GLN A 32 -7.346 10.176 21.909 1.00 0.00 O ATOM 478 NE2 GLN A 32 -7.458 8.115 22.752 1.00 0.00 N ATOM 0 H GLN A 32 -10.496 7.820 18.719 1.00 0.00 H new ATOM 0 HA GLN A 32 -9.205 9.910 20.075 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.872 7.386 20.233 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.978 7.477 18.729 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.396 7.446 20.524 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.368 9.049 19.817 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.389 7.111 22.585 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.670 8.463 23.687 1.00 0.00 H new ATOM 487 N PHE A 33 -8.597 9.690 16.867 1.00 0.00 N ATOM 488 CA PHE A 33 -7.978 10.353 15.732 1.00 0.00 C ATOM 489 C PHE A 33 -9.026 11.065 14.867 1.00 0.00 C ATOM 490 O PHE A 33 -8.710 11.582 13.791 1.00 0.00 O ATOM 491 CB PHE A 33 -7.216 9.334 14.877 1.00 0.00 C ATOM 492 CG PHE A 33 -6.163 8.570 15.633 1.00 0.00 C ATOM 493 CD1 PHE A 33 -4.892 9.090 15.805 1.00 0.00 C ATOM 494 CD2 PHE A 33 -6.451 7.326 16.174 1.00 0.00 C ATOM 495 CE1 PHE A 33 -3.928 8.386 16.503 1.00 0.00 C ATOM 496 CE2 PHE A 33 -5.493 6.619 16.872 1.00 0.00 C ATOM 497 CZ PHE A 33 -4.231 7.148 17.036 1.00 0.00 C ATOM 0 H PHE A 33 -9.242 8.941 16.616 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.283 11.099 16.118 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -7.928 8.627 14.451 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.745 9.854 14.043 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.650 10.057 15.389 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.438 6.905 16.048 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.940 8.803 16.631 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.732 5.652 17.289 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.480 6.595 17.581 1.00 0.00 H new ATOM 507 N GLY A 34 -10.270 11.105 15.337 1.00 0.00 N ATOM 508 CA GLY A 34 -11.322 11.698 14.533 1.00 0.00 C ATOM 509 C GLY A 34 -12.581 12.031 15.315 1.00 0.00 C ATOM 510 O GLY A 34 -12.517 12.526 16.433 1.00 0.00 O ATOM 0 H GLY A 34 -10.564 10.744 16.244 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.942 12.609 14.070 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.578 11.013 13.725 1.00 0.00 H new ATOM 514 N GLU A 35 -13.724 11.760 14.714 1.00 0.00 N ATOM 515 CA GLU A 35 -15.017 12.068 15.310 1.00 0.00 C ATOM 516 C GLU A 35 -16.006 10.971 14.964 1.00 0.00 C ATOM 517 O GLU A 35 -15.971 10.445 13.856 1.00 0.00 O ATOM 518 CB GLU A 35 -15.495 13.404 14.763 1.00 0.00 C ATOM 519 CG GLU A 35 -16.819 13.901 15.307 1.00 0.00 C ATOM 520 CD GLU A 35 -17.196 15.245 14.716 1.00 0.00 C ATOM 521 OE1 GLU A 35 -17.169 15.377 13.466 1.00 0.00 O ATOM 522 OE2 GLU A 35 -17.515 16.163 15.480 1.00 0.00 O ATOM 0 H GLU A 35 -13.786 11.319 13.796 1.00 0.00 H new ATOM 0 HA GLU A 35 -14.931 12.129 16.395 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.733 14.155 14.971 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.576 13.324 13.679 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -17.600 13.174 15.086 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -16.759 13.984 16.392 1.00 0.00 H new ATOM 529 N ILE A 36 -16.886 10.619 15.896 1.00 0.00 N ATOM 530 CA ILE A 36 -17.836 9.542 15.644 1.00 0.00 C ATOM 531 C ILE A 36 -19.279 10.016 15.829 1.00 0.00 C ATOM 532 O ILE A 36 -19.972 10.317 14.858 1.00 0.00 O ATOM 533 CB ILE A 36 -17.590 8.320 16.564 1.00 0.00 C ATOM 534 CG1 ILE A 36 -16.098 8.030 16.701 1.00 0.00 C ATOM 535 CG2 ILE A 36 -18.286 7.112 15.982 1.00 0.00 C ATOM 536 CD1 ILE A 36 -15.445 7.550 15.431 1.00 0.00 C ATOM 0 H ILE A 36 -16.961 11.054 16.815 1.00 0.00 H new ATOM 0 HA ILE A 36 -17.681 9.239 14.608 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.989 8.544 17.554 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.592 8.935 17.037 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.955 7.278 17.477 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.116 6.249 16.626 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.356 7.307 15.912 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.889 6.907 14.988 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -14.386 7.367 15.613 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -15.922 6.626 15.103 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.554 8.309 14.656 1.00 0.00 H new ATOM 548 N LEU A 37 -19.722 10.075 17.082 1.00 0.00 N ATOM 549 CA LEU A 37 -21.079 10.506 17.395 1.00 0.00 C ATOM 550 C LEU A 37 -21.043 11.812 18.174 1.00 0.00 C ATOM 551 O LEU A 37 -19.980 12.389 18.390 1.00 0.00 O ATOM 552 CB LEU A 37 -21.842 9.456 18.236 1.00 0.00 C ATOM 553 CG LEU A 37 -21.925 8.027 17.687 1.00 0.00 C ATOM 554 CD1 LEU A 37 -20.754 7.198 18.183 1.00 0.00 C ATOM 555 CD2 LEU A 37 -23.232 7.376 18.105 1.00 0.00 C ATOM 0 H LEU A 37 -19.160 9.829 17.897 1.00 0.00 H new ATOM 0 HA LEU A 37 -21.599 10.637 16.446 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -21.375 9.411 19.220 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.859 9.819 18.382 1.00 0.00 H new ATOM 0 HG LEU A 37 -21.885 8.075 16.599 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -20.829 6.187 17.784 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.820 7.651 17.850 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.771 7.160 19.272 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -23.277 6.362 17.708 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -23.290 7.343 19.193 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -24.068 7.956 17.715 1.00 0.00 H new ATOM 567 N GLU A 38 -22.212 12.259 18.594 1.00 0.00 N ATOM 568 CA GLU A 38 -22.345 13.458 19.394 1.00 0.00 C ATOM 569 C GLU A 38 -22.393 13.090 20.882 1.00 0.00 C ATOM 570 O GLU A 38 -22.296 11.912 21.222 1.00 0.00 O ATOM 571 CB GLU A 38 -23.587 14.234 18.966 1.00 0.00 C ATOM 572 CG GLU A 38 -24.849 13.395 18.909 1.00 0.00 C ATOM 573 CD GLU A 38 -26.016 14.161 18.343 1.00 0.00 C ATOM 574 OE1 GLU A 38 -26.672 14.896 19.108 1.00 0.00 O ATOM 575 OE2 GLU A 38 -26.280 14.035 17.121 1.00 0.00 O ATOM 0 H GLU A 38 -23.098 11.798 18.388 1.00 0.00 H new ATOM 0 HA GLU A 38 -21.479 14.101 19.236 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -23.743 15.060 19.659 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -23.409 14.671 17.984 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -24.668 12.510 18.299 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -25.097 13.046 19.911 1.00 0.00 H new ATOM 582 N ASP A 39 -22.568 14.101 21.751 1.00 0.00 N ATOM 583 CA ASP A 39 -22.534 13.909 23.216 1.00 0.00 C ATOM 584 C ASP A 39 -21.105 13.603 23.654 1.00 0.00 C ATOM 585 O ASP A 39 -20.712 12.447 23.821 1.00 0.00 O ATOM 586 CB ASP A 39 -23.504 12.810 23.663 1.00 0.00 C ATOM 587 CG ASP A 39 -23.578 12.668 25.167 1.00 0.00 C ATOM 588 OD1 ASP A 39 -24.190 13.535 25.815 1.00 0.00 O ATOM 589 OD2 ASP A 39 -23.042 11.677 25.704 1.00 0.00 O ATOM 0 H ASP A 39 -22.735 15.065 21.464 1.00 0.00 H new ATOM 0 HA ASP A 39 -22.862 14.830 23.698 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -24.498 13.030 23.274 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -23.194 11.860 23.228 1.00 0.00 H new ATOM 594 N LEU A 40 -20.332 14.656 23.832 1.00 0.00 N ATOM 595 CA LEU A 40 -18.904 14.545 24.074 1.00 0.00 C ATOM 596 C LEU A 40 -18.517 14.802 25.528 1.00 0.00 C ATOM 597 O LEU A 40 -17.986 13.911 26.197 1.00 0.00 O ATOM 598 CB LEU A 40 -18.164 15.538 23.171 1.00 0.00 C ATOM 599 CG LEU A 40 -18.386 15.367 21.669 1.00 0.00 C ATOM 600 CD1 LEU A 40 -17.669 16.465 20.906 1.00 0.00 C ATOM 601 CD2 LEU A 40 -17.912 13.997 21.206 1.00 0.00 C ATOM 0 H LEU A 40 -20.676 15.616 23.813 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.620 13.517 23.847 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -18.465 16.548 23.451 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -17.096 15.456 23.372 1.00 0.00 H new ATOM 0 HG LEU A 40 -19.454 15.441 21.467 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -17.834 16.333 19.837 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -18.056 17.436 21.216 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -16.601 16.416 21.117 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -18.080 13.897 20.134 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.848 13.889 21.419 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -18.468 13.222 21.734 1.00 0.00 H new ATOM 1035 N SER A 67 -19.036 17.329 12.404 1.00 0.00 N ATOM 1036 CA SER A 67 -18.766 18.138 11.227 1.00 0.00 C ATOM 1037 C SER A 67 -19.296 17.505 9.936 1.00 0.00 C ATOM 1038 O SER A 67 -19.181 18.082 8.851 1.00 0.00 O ATOM 1039 CB SER A 67 -17.276 18.391 11.116 1.00 0.00 C ATOM 1040 OG SER A 67 -16.803 19.128 12.238 1.00 0.00 O ATOM 0 HA SER A 67 -19.297 19.082 11.352 1.00 0.00 H new ATOM 0 HB2 SER A 67 -16.745 17.441 11.049 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.063 18.940 10.199 1.00 0.00 H new ATOM 0 HG SER A 67 -17.242 18.803 13.052 1.00 0.00 H new ATOM 1046 N ARG A 68 -19.859 16.337 10.058 1.00 0.00 N ATOM 1047 CA ARG A 68 -20.376 15.597 8.919 1.00 0.00 C ATOM 1048 C ARG A 68 -21.825 15.221 9.161 1.00 0.00 C ATOM 1049 O ARG A 68 -22.256 15.127 10.308 1.00 0.00 O ATOM 1050 CB ARG A 68 -19.554 14.331 8.734 1.00 0.00 C ATOM 1051 CG ARG A 68 -18.076 14.592 8.528 1.00 0.00 C ATOM 1052 CD ARG A 68 -17.278 13.301 8.508 1.00 0.00 C ATOM 1053 NE ARG A 68 -17.480 12.521 9.740 1.00 0.00 N ATOM 1054 CZ ARG A 68 -17.119 12.922 10.971 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -16.486 14.080 11.153 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -17.386 12.150 12.013 1.00 0.00 N ATOM 0 H ARG A 68 -19.978 15.860 10.952 1.00 0.00 H new ATOM 0 HA ARG A 68 -20.312 16.218 8.026 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.683 13.693 9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.940 13.779 7.877 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -17.928 15.127 7.590 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -17.705 15.237 9.325 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -17.573 12.703 7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -16.219 13.529 8.390 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.927 11.608 9.653 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.270 14.674 10.353 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.218 14.372 12.093 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -17.862 11.258 11.878 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.115 12.447 12.950 1.00 0.00 H new ATOM 1070 N GLU A 69 -22.572 15.004 8.095 1.00 0.00 N ATOM 1071 CA GLU A 69 -23.959 14.603 8.224 1.00 0.00 C ATOM 1072 C GLU A 69 -24.046 13.136 8.662 1.00 0.00 C ATOM 1073 O GLU A 69 -23.454 12.249 8.035 1.00 0.00 O ATOM 1074 CB GLU A 69 -24.747 14.842 6.913 1.00 0.00 C ATOM 1075 CG GLU A 69 -24.110 14.250 5.656 1.00 0.00 C ATOM 1076 CD GLU A 69 -23.054 15.153 5.030 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -21.902 15.166 5.521 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -23.367 15.840 4.033 1.00 0.00 O ATOM 0 H GLU A 69 -22.243 15.098 7.134 1.00 0.00 H new ATOM 0 HA GLU A 69 -24.421 15.224 8.992 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -25.747 14.423 7.027 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -24.866 15.916 6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -23.656 13.291 5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -24.890 14.052 4.921 1.00 0.00 H new ATOM 1085 N HIS A 70 -24.761 12.897 9.747 1.00 0.00 N ATOM 1086 CA HIS A 70 -24.890 11.560 10.313 1.00 0.00 C ATOM 1087 C HIS A 70 -26.348 11.150 10.412 1.00 0.00 C ATOM 1088 O HIS A 70 -27.249 11.981 10.272 1.00 0.00 O ATOM 1089 CB HIS A 70 -24.242 11.510 11.711 1.00 0.00 C ATOM 1090 CG HIS A 70 -24.940 12.353 12.758 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -25.223 13.693 12.588 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -25.406 12.032 13.993 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -25.830 14.159 13.668 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -25.954 13.175 14.535 1.00 0.00 N ATOM 0 H HIS A 70 -25.267 13.618 10.261 1.00 0.00 H new ATOM 0 HA HIS A 70 -24.377 10.862 9.651 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -24.222 10.475 12.051 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -23.206 11.839 11.629 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -25.356 11.061 14.463 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -26.167 15.175 13.814 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -26.385 13.247 15.457 1.00 0.00 H new ATOM 1102 N GLY A 71 -26.571 9.874 10.656 1.00 0.00 N ATOM 1103 CA GLY A 71 -27.911 9.375 10.817 1.00 0.00 C ATOM 1104 C GLY A 71 -28.254 9.204 12.275 1.00 0.00 C ATOM 1105 O GLY A 71 -27.735 9.926 13.124 1.00 0.00 O ATOM 0 H GLY A 71 -25.839 9.169 10.746 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -28.617 10.063 10.352 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -28.011 8.420 10.302 1.00 0.00 H new ATOM 1109 N ARG A 72 -29.120 8.257 12.572 1.00 0.00 N ATOM 1110 CA ARG A 72 -29.521 8.008 13.954 1.00 0.00 C ATOM 1111 C ARG A 72 -28.618 7.004 14.622 1.00 0.00 C ATOM 1112 O ARG A 72 -28.026 7.280 15.659 1.00 0.00 O ATOM 1113 CB ARG A 72 -30.964 7.531 14.014 1.00 0.00 C ATOM 1114 CG ARG A 72 -31.968 8.553 13.518 1.00 0.00 C ATOM 1115 CD ARG A 72 -33.383 8.011 13.592 1.00 0.00 C ATOM 1116 NE ARG A 72 -33.568 6.853 12.718 1.00 0.00 N ATOM 1117 CZ ARG A 72 -33.901 6.928 11.427 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -34.131 8.107 10.859 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -34.012 5.824 10.711 1.00 0.00 N ATOM 0 H ARG A 72 -29.561 7.647 11.884 1.00 0.00 H new ATOM 0 HA ARG A 72 -29.434 8.951 14.494 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -31.061 6.622 13.420 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -31.207 7.267 15.043 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -31.892 9.461 14.115 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -31.734 8.827 12.489 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -33.611 7.730 14.620 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -34.087 8.794 13.311 1.00 0.00 H new ATOM 0 HE ARG A 72 -33.434 5.926 13.122 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -34.054 8.962 11.410 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -34.385 8.157 9.872 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -33.844 4.916 11.144 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -34.266 5.879 9.725 1.00 0.00 H new ATOM 1133 N THR A 73 -28.506 5.852 14.025 1.00 0.00 N ATOM 1134 CA THR A 73 -27.724 4.794 14.587 1.00 0.00 C ATOM 1135 C THR A 73 -26.485 4.507 13.743 1.00 0.00 C ATOM 1136 O THR A 73 -25.798 3.499 13.939 1.00 0.00 O ATOM 1137 CB THR A 73 -28.575 3.539 14.733 1.00 0.00 C ATOM 1138 OG1 THR A 73 -29.284 3.284 13.506 1.00 0.00 O ATOM 1139 CG2 THR A 73 -29.572 3.688 15.874 1.00 0.00 C ATOM 0 H THR A 73 -28.954 5.622 13.138 1.00 0.00 H new ATOM 0 HA THR A 73 -27.383 5.110 15.573 1.00 0.00 H new ATOM 0 HB THR A 73 -27.913 2.702 14.956 1.00 0.00 H new ATOM 0 HG1 THR A 73 -29.828 2.475 13.605 1.00 0.00 H new ATOM 0 HG21 THR A 73 -30.168 2.779 15.958 1.00 0.00 H new ATOM 0 HG22 THR A 73 -29.035 3.857 16.807 1.00 0.00 H new ATOM 0 HG23 THR A 73 -30.229 4.535 15.675 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.205 5.398 12.805 1.00 0.00 N ATOM 1148 CA TRP A 74 -25.057 5.257 11.937 1.00 0.00 C ATOM 1149 C TRP A 74 -24.391 6.603 11.725 1.00 0.00 C ATOM 1150 O TRP A 74 -25.054 7.648 11.744 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.465 4.649 10.578 1.00 0.00 C ATOM 1152 CG TRP A 74 -26.416 5.502 9.771 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -27.779 5.435 9.770 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -26.066 6.543 8.838 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -28.298 6.370 8.903 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -27.266 7.059 8.319 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -24.853 7.088 8.397 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -27.292 8.092 7.383 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -24.879 8.111 7.469 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -26.091 8.602 6.971 1.00 0.00 C ATOM 0 H TRP A 74 -26.765 6.232 12.628 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.349 4.581 12.417 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -24.565 4.473 9.988 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -25.927 3.677 10.753 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.365 4.749 10.363 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -29.290 6.525 8.724 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -23.913 6.715 8.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -28.225 8.475 6.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -23.950 8.538 7.123 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -26.078 9.402 6.245 1.00 0.00 H new ATOM 1171 N THR A 75 -23.097 6.584 11.547 1.00 0.00 N ATOM 1172 CA THR A 75 -22.355 7.786 11.273 1.00 0.00 C ATOM 1173 C THR A 75 -21.238 7.477 10.287 1.00 0.00 C ATOM 1174 O THR A 75 -20.714 6.355 10.267 1.00 0.00 O ATOM 1175 CB THR A 75 -21.776 8.424 12.570 1.00 0.00 C ATOM 1176 OG1 THR A 75 -21.226 9.715 12.286 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.695 7.554 13.188 1.00 0.00 C ATOM 0 H THR A 75 -22.529 5.738 11.588 1.00 0.00 H new ATOM 0 HA THR A 75 -23.039 8.515 10.838 1.00 0.00 H new ATOM 0 HB THR A 75 -22.598 8.516 13.279 1.00 0.00 H new ATOM 0 HG1 THR A 75 -20.763 10.055 13.080 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.315 8.032 14.091 1.00 0.00 H new ATOM 0 HG22 THR A 75 -21.113 6.580 13.442 1.00 0.00 H new ATOM 0 HG23 THR A 75 -19.880 7.425 12.476 1.00 0.00 H new ATOM 1185 N LYS A 76 -20.903 8.436 9.446 1.00 0.00 N ATOM 1186 CA LYS A 76 -19.832 8.233 8.501 1.00 0.00 C ATOM 1187 C LYS A 76 -18.539 8.797 9.056 1.00 0.00 C ATOM 1188 O LYS A 76 -18.498 9.923 9.576 1.00 0.00 O ATOM 1189 CB LYS A 76 -20.143 8.851 7.128 1.00 0.00 C ATOM 1190 CG LYS A 76 -20.273 10.352 7.135 1.00 0.00 C ATOM 1191 CD LYS A 76 -20.456 10.885 5.733 1.00 0.00 C ATOM 1192 CE LYS A 76 -20.602 12.377 5.760 1.00 0.00 C ATOM 1193 NZ LYS A 76 -20.731 12.964 4.404 1.00 0.00 N ATOM 0 H LYS A 76 -21.352 9.351 9.400 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.724 7.159 8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -19.354 8.570 6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -21.071 8.420 6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -21.122 10.644 7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.384 10.796 7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.601 10.607 5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -21.338 10.434 5.277 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -21.479 12.642 6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.737 12.814 6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -20.947 13.978 4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -19.838 12.840 3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -21.498 12.486 3.890 1.00 0.00 H new ATOM 1207 N LEU A 77 -17.496 8.027 8.951 1.00 0.00 N ATOM 1208 CA LEU A 77 -16.218 8.423 9.455 1.00 0.00 C ATOM 1209 C LEU A 77 -15.308 8.823 8.318 1.00 0.00 C ATOM 1210 O LEU A 77 -14.984 8.011 7.449 1.00 0.00 O ATOM 1211 CB LEU A 77 -15.583 7.286 10.253 1.00 0.00 C ATOM 1212 CG LEU A 77 -16.441 6.705 11.378 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -15.668 5.652 12.156 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -16.939 7.804 12.298 1.00 0.00 C ATOM 0 H LEU A 77 -17.510 7.106 8.513 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.359 9.279 10.115 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.327 6.481 9.563 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.648 7.646 10.683 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.310 6.223 10.930 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.297 5.252 12.951 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.376 4.845 11.484 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -14.776 6.103 12.591 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.547 7.367 13.090 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.088 8.324 12.738 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.540 8.512 11.727 1.00 0.00 H new ATOM 1226 N THR A 78 -14.924 10.071 8.307 1.00 0.00 N ATOM 1227 CA THR A 78 -14.010 10.574 7.324 1.00 0.00 C ATOM 1228 C THR A 78 -12.695 10.892 8.010 1.00 0.00 C ATOM 1229 O THR A 78 -12.626 11.808 8.821 1.00 0.00 O ATOM 1230 CB THR A 78 -14.576 11.841 6.650 1.00 0.00 C ATOM 1231 OG1 THR A 78 -15.863 11.545 6.083 1.00 0.00 O ATOM 1232 CG2 THR A 78 -13.644 12.343 5.553 1.00 0.00 C ATOM 0 H THR A 78 -15.239 10.768 8.983 1.00 0.00 H new ATOM 0 HA THR A 78 -13.858 9.823 6.549 1.00 0.00 H new ATOM 0 HB THR A 78 -14.668 12.620 7.406 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.225 12.349 5.656 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.069 13.237 5.096 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.672 12.582 5.983 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.525 11.569 4.795 1.00 0.00 H new ATOM 1240 N TYR A 79 -11.668 10.127 7.705 1.00 0.00 N ATOM 1241 CA TYR A 79 -10.379 10.309 8.354 1.00 0.00 C ATOM 1242 C TYR A 79 -9.400 11.069 7.476 1.00 0.00 C ATOM 1243 O TYR A 79 -8.278 11.351 7.906 1.00 0.00 O ATOM 1244 CB TYR A 79 -9.787 8.962 8.750 1.00 0.00 C ATOM 1245 CG TYR A 79 -10.395 8.357 9.998 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -11.550 7.593 9.936 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -9.801 8.545 11.240 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -12.095 7.032 11.076 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -10.342 7.990 12.384 1.00 0.00 C ATOM 1250 CZ TYR A 79 -11.487 7.235 12.295 1.00 0.00 C ATOM 1251 OH TYR A 79 -12.025 6.672 13.427 1.00 0.00 O ATOM 0 H TYR A 79 -11.696 9.376 7.016 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.551 10.905 9.250 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.916 8.264 7.922 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.714 9.081 8.903 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.032 7.434 8.983 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.900 9.136 11.313 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.994 6.437 11.011 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.868 8.148 13.342 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.709 7.159 14.217 1.00 0.00 H new ATOM 1261 N ALA A 80 -9.838 11.407 6.254 1.00 0.00 N ATOM 1262 CA ALA A 80 -9.021 12.151 5.269 1.00 0.00 C ATOM 1263 C ALA A 80 -7.828 11.325 4.759 1.00 0.00 C ATOM 1264 O ALA A 80 -7.666 11.130 3.557 1.00 0.00 O ATOM 1265 CB ALA A 80 -8.554 13.489 5.842 1.00 0.00 C ATOM 0 H ALA A 80 -10.771 11.174 5.915 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.662 12.350 4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.956 14.015 5.098 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.421 14.095 6.105 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.951 13.313 6.733 1.00 0.00 H new ATOM 1271 N ASN A 81 -7.008 10.849 5.676 1.00 0.00 N ATOM 1272 CA ASN A 81 -5.843 10.048 5.332 1.00 0.00 C ATOM 1273 C ASN A 81 -6.235 8.598 5.143 1.00 0.00 C ATOM 1274 O ASN A 81 -7.080 8.073 5.866 1.00 0.00 O ATOM 1275 CB ASN A 81 -4.766 10.154 6.418 1.00 0.00 C ATOM 1276 CG ASN A 81 -4.132 11.531 6.499 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -3.740 11.984 7.576 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -4.001 12.195 5.369 1.00 0.00 N ATOM 0 H ASN A 81 -7.127 11.004 6.677 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.436 10.434 4.397 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.207 9.907 7.384 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.989 9.414 6.224 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.563 13.116 5.367 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.338 11.788 4.496 1.00 0.00 H new ATOM 1285 N HIS A 82 -5.622 7.957 4.169 1.00 0.00 N ATOM 1286 CA HIS A 82 -5.912 6.565 3.866 1.00 0.00 C ATOM 1287 C HIS A 82 -5.458 5.657 5.011 1.00 0.00 C ATOM 1288 O HIS A 82 -6.085 4.635 5.292 1.00 0.00 O ATOM 1289 CB HIS A 82 -5.240 6.143 2.552 1.00 0.00 C ATOM 1290 CG HIS A 82 -5.686 4.796 2.050 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -6.819 4.622 1.285 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -5.159 3.559 2.218 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -6.971 3.342 1.005 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -5.979 2.677 1.557 1.00 0.00 N ATOM 0 H HIS A 82 -4.914 8.379 3.568 1.00 0.00 H new ATOM 0 HA HIS A 82 -6.991 6.462 3.750 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.450 6.893 1.789 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -4.160 6.128 2.695 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.263 3.313 2.768 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.773 2.913 0.422 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.841 1.668 1.503 1.00 0.00 H new ATOM 1302 N SER A 83 -4.363 6.036 5.661 1.00 0.00 N ATOM 1303 CA SER A 83 -3.805 5.256 6.760 1.00 0.00 C ATOM 1304 C SER A 83 -4.802 5.126 7.921 1.00 0.00 C ATOM 1305 O SER A 83 -5.020 4.032 8.454 1.00 0.00 O ATOM 1306 CB SER A 83 -2.508 5.915 7.235 1.00 0.00 C ATOM 1307 OG SER A 83 -2.703 7.306 7.468 1.00 0.00 O ATOM 0 H SER A 83 -3.841 6.885 5.444 1.00 0.00 H new ATOM 0 HA SER A 83 -3.594 4.248 6.402 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.164 5.433 8.150 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.728 5.773 6.487 1.00 0.00 H new ATOM 0 HG SER A 83 -1.863 7.708 7.772 1.00 0.00 H new ATOM 1313 N SER A 84 -5.404 6.239 8.301 1.00 0.00 N ATOM 1314 CA SER A 84 -6.403 6.249 9.344 1.00 0.00 C ATOM 1315 C SER A 84 -7.723 5.661 8.834 1.00 0.00 C ATOM 1316 O SER A 84 -8.465 5.024 9.584 1.00 0.00 O ATOM 1317 CB SER A 84 -6.577 7.667 9.878 1.00 0.00 C ATOM 1318 OG SER A 84 -6.659 8.603 8.814 1.00 0.00 O ATOM 0 H SER A 84 -5.212 7.155 7.895 1.00 0.00 H new ATOM 0 HA SER A 84 -6.071 5.618 10.169 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.480 7.722 10.487 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.739 7.921 10.527 1.00 0.00 H new ATOM 0 HG SER A 84 -6.955 8.147 7.999 1.00 0.00 H new ATOM 1324 N TYR A 85 -7.989 5.870 7.545 1.00 0.00 N ATOM 1325 CA TYR A 85 -9.183 5.344 6.882 1.00 0.00 C ATOM 1326 C TYR A 85 -9.243 3.823 6.957 1.00 0.00 C ATOM 1327 O TYR A 85 -10.265 3.259 7.321 1.00 0.00 O ATOM 1328 CB TYR A 85 -9.195 5.791 5.408 1.00 0.00 C ATOM 1329 CG TYR A 85 -10.186 5.049 4.525 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -11.525 5.408 4.472 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -9.762 3.976 3.743 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -12.416 4.715 3.663 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -10.638 3.285 2.938 1.00 0.00 C ATOM 1334 CZ TYR A 85 -11.964 3.655 2.899 1.00 0.00 C ATOM 1335 OH TYR A 85 -12.843 2.959 2.097 1.00 0.00 O ATOM 0 H TYR A 85 -7.381 6.410 6.929 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.057 5.740 7.399 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.421 6.857 5.368 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.194 5.662 4.995 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.879 6.237 5.067 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.724 3.681 3.770 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.457 5.003 3.631 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.288 2.457 2.340 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.362 2.246 1.627 1.00 0.00 H new ATOM 1345 N LEU A 86 -8.141 3.172 6.630 1.00 0.00 N ATOM 1346 CA LEU A 86 -8.088 1.738 6.600 1.00 0.00 C ATOM 1347 C LEU A 86 -8.326 1.139 7.985 1.00 0.00 C ATOM 1348 O LEU A 86 -9.003 0.124 8.122 1.00 0.00 O ATOM 1349 CB LEU A 86 -6.758 1.277 6.018 1.00 0.00 C ATOM 1350 CG LEU A 86 -6.575 -0.224 5.937 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -7.691 -0.866 5.118 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -5.225 -0.564 5.352 1.00 0.00 C ATOM 0 H LEU A 86 -7.264 3.630 6.380 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.891 1.379 5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.654 1.694 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.952 1.693 6.622 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.624 -0.625 6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.537 -1.944 5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.653 -0.656 5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.682 -0.457 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.112 -1.647 5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.147 -0.144 4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.440 -0.146 5.982 1.00 0.00 H new ATOM 1364 N ARG A 87 -7.780 1.774 9.005 1.00 0.00 N ATOM 1365 CA ARG A 87 -7.948 1.298 10.374 1.00 0.00 C ATOM 1366 C ARG A 87 -9.393 1.451 10.859 1.00 0.00 C ATOM 1367 O ARG A 87 -9.798 0.815 11.824 1.00 0.00 O ATOM 1368 CB ARG A 87 -6.964 1.983 11.318 1.00 0.00 C ATOM 1369 CG ARG A 87 -5.538 1.506 11.122 1.00 0.00 C ATOM 1370 CD ARG A 87 -4.560 2.227 12.029 1.00 0.00 C ATOM 1371 NE ARG A 87 -3.208 1.678 11.888 1.00 0.00 N ATOM 1372 CZ ARG A 87 -2.221 2.239 11.183 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -2.400 3.410 10.585 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -1.053 1.622 11.083 1.00 0.00 N ATOM 0 H ARG A 87 -7.217 2.620 8.917 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.724 0.231 10.378 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.007 3.061 11.162 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.266 1.798 12.349 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.486 0.434 11.314 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.246 1.658 10.083 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.551 3.290 11.788 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.886 2.138 13.065 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.005 0.800 12.365 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.297 3.890 10.661 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.641 3.830 10.049 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.910 0.723 11.543 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.297 2.046 10.546 1.00 0.00 H new ATOM 1388 N ALA A 88 -10.160 2.292 10.177 1.00 0.00 N ATOM 1389 CA ALA A 88 -11.570 2.499 10.507 1.00 0.00 C ATOM 1390 C ALA A 88 -12.428 1.332 10.009 1.00 0.00 C ATOM 1391 O ALA A 88 -13.581 1.193 10.393 1.00 0.00 O ATOM 1392 CB ALA A 88 -12.064 3.809 9.920 1.00 0.00 C ATOM 0 H ALA A 88 -9.830 2.846 9.387 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.661 2.546 11.592 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.115 3.948 10.174 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.479 4.634 10.328 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.953 3.787 8.836 1.00 0.00 H new ATOM 1398 N LEU A 89 -11.836 0.491 9.164 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.517 -0.668 8.556 1.00 0.00 C ATOM 1400 C LEU A 89 -12.812 -1.783 9.565 1.00 0.00 C ATOM 1401 O LEU A 89 -13.396 -2.801 9.193 1.00 0.00 O ATOM 1402 CB LEU A 89 -11.710 -1.235 7.370 1.00 0.00 C ATOM 1403 CG LEU A 89 -11.977 -0.615 5.982 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -13.342 -1.025 5.470 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -11.864 0.897 6.017 1.00 0.00 C ATOM 0 H LEU A 89 -10.863 0.589 8.875 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.474 -0.294 8.192 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.650 -1.119 7.595 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.907 -2.305 7.307 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.215 -0.993 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.512 -0.578 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.388 -2.111 5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.109 -0.681 6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.058 1.299 5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.593 1.300 6.720 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.860 1.180 6.333 1.00 0.00 H new ATOM 1417 N ARG A 90 -12.349 -1.598 10.817 1.00 0.00 N ATOM 1418 CA ARG A 90 -12.528 -2.575 11.922 1.00 0.00 C ATOM 1419 C ARG A 90 -13.824 -3.382 11.818 1.00 0.00 C ATOM 1420 O ARG A 90 -14.898 -2.906 12.179 1.00 0.00 O ATOM 1421 CB ARG A 90 -12.515 -1.869 13.282 1.00 0.00 C ATOM 1422 CG ARG A 90 -11.195 -1.238 13.676 1.00 0.00 C ATOM 1423 CD ARG A 90 -10.118 -2.285 13.900 1.00 0.00 C ATOM 1424 NE ARG A 90 -8.894 -1.695 14.443 1.00 0.00 N ATOM 1425 CZ ARG A 90 -7.701 -1.743 13.856 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -7.551 -2.345 12.680 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -6.656 -1.180 14.449 1.00 0.00 N ATOM 0 H ARG A 90 -11.836 -0.762 11.097 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.689 -3.265 11.833 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.281 -1.094 13.277 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -12.796 -2.590 14.049 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.875 -0.547 12.896 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.328 -0.652 14.586 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.489 -3.048 14.584 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.894 -2.784 12.957 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.960 -1.211 15.338 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.354 -2.775 12.221 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.633 -2.377 12.237 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.770 -0.714 15.349 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.738 -1.213 14.005 1.00 0.00 H new ATOM 1441 N GLU A 91 -13.697 -4.598 11.323 1.00 0.00 N ATOM 1442 CA GLU A 91 -14.804 -5.525 11.228 1.00 0.00 C ATOM 1443 C GLU A 91 -14.255 -6.912 10.969 1.00 0.00 C ATOM 1444 O GLU A 91 -14.221 -7.390 9.831 1.00 0.00 O ATOM 1445 CB GLU A 91 -15.807 -5.121 10.132 1.00 0.00 C ATOM 1446 CG GLU A 91 -17.226 -5.661 10.354 1.00 0.00 C ATOM 1447 CD GLU A 91 -17.318 -7.179 10.304 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -17.450 -7.733 9.193 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -17.259 -7.828 11.376 1.00 0.00 O ATOM 0 H GLU A 91 -12.815 -4.972 10.973 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.353 -5.510 12.170 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -15.848 -4.033 10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.440 -5.477 9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -17.589 -5.316 11.322 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -17.888 -5.241 9.597 1.00 0.00 H new ATOM 1456 N HIS A 92 -13.772 -7.518 12.017 1.00 0.00 N ATOM 1457 CA HIS A 92 -13.235 -8.858 11.961 1.00 0.00 C ATOM 1458 C HIS A 92 -13.908 -9.673 13.053 1.00 0.00 C ATOM 1459 O HIS A 92 -13.299 -10.528 13.689 1.00 0.00 O ATOM 1460 CB HIS A 92 -11.709 -8.811 12.163 1.00 0.00 C ATOM 1461 CG HIS A 92 -10.999 -10.106 11.881 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -10.411 -10.876 12.864 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -10.770 -10.754 10.718 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -9.853 -11.937 12.314 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -10.056 -11.886 11.014 1.00 0.00 N ATOM 0 H HIS A 92 -13.737 -7.096 12.945 1.00 0.00 H new ATOM 0 HA HIS A 92 -13.427 -9.318 10.992 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.294 -8.037 11.518 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -11.501 -8.514 13.191 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -11.090 -10.438 9.736 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.320 -12.715 12.840 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -9.734 -12.577 10.337 1.00 0.00 H new ATOM 1473 N GLY A 93 -15.189 -9.403 13.248 1.00 0.00 N ATOM 1474 CA GLY A 93 -15.912 -10.032 14.322 1.00 0.00 C ATOM 1475 C GLY A 93 -15.712 -9.269 15.605 1.00 0.00 C ATOM 1476 O GLY A 93 -15.835 -9.816 16.699 1.00 0.00 O ATOM 0 H GLY A 93 -15.738 -8.758 12.679 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -16.974 -10.075 14.078 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -15.571 -11.060 14.446 1.00 0.00 H new ATOM 1480 N THR A 94 -15.374 -7.993 15.456 1.00 0.00 N ATOM 1481 CA THR A 94 -15.138 -7.111 16.574 1.00 0.00 C ATOM 1482 C THR A 94 -16.423 -6.900 17.367 1.00 0.00 C ATOM 1483 O THR A 94 -17.330 -6.192 16.929 1.00 0.00 O ATOM 1484 CB THR A 94 -14.605 -5.753 16.078 1.00 0.00 C ATOM 1485 OG1 THR A 94 -13.490 -5.971 15.197 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.167 -4.878 17.244 1.00 0.00 C ATOM 0 H THR A 94 -15.257 -7.546 14.546 1.00 0.00 H new ATOM 0 HA THR A 94 -14.394 -7.572 17.224 1.00 0.00 H new ATOM 0 HB THR A 94 -15.407 -5.241 15.547 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.151 -5.108 14.879 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.795 -3.926 16.865 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.016 -4.699 17.904 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.376 -5.381 17.799 1.00 0.00 H new ATOM 1494 N ILE A 95 -16.494 -7.519 18.530 1.00 0.00 N ATOM 1495 CA ILE A 95 -17.668 -7.425 19.367 1.00 0.00 C ATOM 1496 C ILE A 95 -17.510 -6.294 20.363 1.00 0.00 C ATOM 1497 O ILE A 95 -16.565 -6.278 21.162 1.00 0.00 O ATOM 1498 CB ILE A 95 -17.915 -8.750 20.127 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -18.120 -9.898 19.134 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -19.122 -8.621 21.053 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -18.154 -11.266 19.779 1.00 0.00 C ATOM 0 H ILE A 95 -15.746 -8.095 18.916 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.525 -7.227 18.723 1.00 0.00 H new ATOM 0 HB ILE A 95 -17.039 -8.969 20.737 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -19.054 -9.737 18.595 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -17.318 -9.875 18.396 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -19.280 -9.563 21.579 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -18.942 -7.827 21.778 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -20.008 -8.381 20.465 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -18.302 -12.026 19.012 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -17.211 -11.449 20.294 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -18.973 -11.310 20.496 1.00 0.00 H new ATOM 1513 N TYR A 96 -18.417 -5.347 20.300 1.00 0.00 N ATOM 1514 CA TYR A 96 -18.394 -4.216 21.187 1.00 0.00 C ATOM 1515 C TYR A 96 -19.825 -3.851 21.564 1.00 0.00 C ATOM 1516 O TYR A 96 -20.705 -3.838 20.707 1.00 0.00 O ATOM 1517 CB TYR A 96 -17.697 -3.026 20.519 1.00 0.00 C ATOM 1518 CG TYR A 96 -17.152 -2.023 21.498 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -17.948 -1.013 22.005 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -15.835 -2.097 21.929 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -17.453 -0.101 22.909 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -15.326 -1.192 22.836 1.00 0.00 C ATOM 1523 CZ TYR A 96 -16.137 -0.195 23.325 1.00 0.00 C ATOM 1524 OH TYR A 96 -15.634 0.709 24.238 1.00 0.00 O ATOM 0 H TYR A 96 -19.188 -5.342 19.633 1.00 0.00 H new ATOM 0 HA TYR A 96 -17.835 -4.472 22.087 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.881 -3.395 19.897 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -18.403 -2.527 19.855 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -18.977 -0.938 21.686 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -15.196 -2.879 21.546 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -18.089 0.684 23.292 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.298 -1.266 23.160 1.00 0.00 H new ATOM 0 HH TYR A 96 -14.695 0.499 24.422 1.00 0.00 H new ATOM 1534 N CYS A 97 -20.055 -3.592 22.844 1.00 0.00 N ATOM 1535 CA CYS A 97 -21.387 -3.247 23.349 1.00 0.00 C ATOM 1536 C CYS A 97 -22.339 -4.451 23.295 1.00 0.00 C ATOM 1537 O CYS A 97 -23.559 -4.300 23.408 1.00 0.00 O ATOM 1538 CB CYS A 97 -21.979 -2.038 22.597 1.00 0.00 C ATOM 1539 SG CYS A 97 -21.152 -0.470 22.945 1.00 0.00 S ATOM 0 H CYS A 97 -19.331 -3.614 23.562 1.00 0.00 H new ATOM 0 HA CYS A 97 -21.272 -2.963 24.395 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -21.930 -2.232 21.525 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -23.034 -1.945 22.856 1.00 0.00 H new ATOM 0 HG CYS A 97 -19.864 -0.636 22.886 1.00 0.00 H new ATOM 1545 N GLY A 98 -21.770 -5.645 23.150 1.00 0.00 N ATOM 1546 CA GLY A 98 -22.571 -6.856 23.146 1.00 0.00 C ATOM 1547 C GLY A 98 -22.785 -7.448 21.765 1.00 0.00 C ATOM 1548 O GLY A 98 -23.302 -8.562 21.640 1.00 0.00 O ATOM 0 H GLY A 98 -20.768 -5.795 23.035 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -22.089 -7.601 23.779 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -23.542 -6.639 23.592 1.00 0.00 H new ATOM 1552 N ALA A 99 -22.399 -6.722 20.734 1.00 0.00 N ATOM 1553 CA ALA A 99 -22.569 -7.199 19.368 1.00 0.00 C ATOM 1554 C ALA A 99 -21.424 -6.737 18.494 1.00 0.00 C ATOM 1555 O ALA A 99 -20.695 -5.823 18.856 1.00 0.00 O ATOM 1556 CB ALA A 99 -23.891 -6.718 18.801 1.00 0.00 C ATOM 0 H ALA A 99 -21.966 -5.802 20.812 1.00 0.00 H new ATOM 0 HA ALA A 99 -22.571 -8.289 19.384 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -24.003 -7.083 17.780 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -24.709 -7.097 19.414 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -23.912 -5.628 18.801 1.00 0.00 H new ATOM 1562 N ALA A 100 -21.241 -7.386 17.368 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.204 -6.987 16.443 1.00 0.00 C ATOM 1564 C ALA A 100 -20.618 -5.724 15.705 1.00 0.00 C ATOM 1565 O ALA A 100 -21.744 -5.629 15.209 1.00 0.00 O ATOM 1566 CB ALA A 100 -19.907 -8.108 15.463 1.00 0.00 C ATOM 0 H ALA A 100 -21.794 -8.190 17.070 1.00 0.00 H new ATOM 0 HA ALA A 100 -19.294 -6.777 17.006 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.124 -7.791 14.774 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -19.574 -8.990 16.010 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -20.809 -8.349 14.901 1.00 0.00 H new ATOM 1572 N ILE A 101 -19.723 -4.755 15.645 1.00 0.00 N ATOM 1573 CA ILE A 101 -20.009 -3.515 14.953 1.00 0.00 C ATOM 1574 C ILE A 101 -19.659 -3.637 13.475 1.00 0.00 C ATOM 1575 O ILE A 101 -18.584 -4.119 13.117 1.00 0.00 O ATOM 1576 CB ILE A 101 -19.298 -2.287 15.598 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -17.771 -2.475 15.656 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -19.857 -2.022 16.990 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -17.020 -1.240 16.149 1.00 0.00 C ATOM 0 H ILE A 101 -18.795 -4.804 16.066 1.00 0.00 H new ATOM 0 HA ILE A 101 -21.080 -3.335 15.048 1.00 0.00 H new ATOM 0 HB ILE A 101 -19.496 -1.422 14.966 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -17.542 -3.315 16.312 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -17.408 -2.738 14.662 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -19.351 -1.162 17.428 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -20.925 -1.818 16.920 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -19.695 -2.897 17.620 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -15.950 -1.447 16.163 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.219 -0.402 15.481 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.355 -0.988 17.155 1.00 0.00 H new ATOM 1591 N GLY A 102 -20.580 -3.222 12.622 1.00 0.00 N ATOM 1592 CA GLY A 102 -20.378 -3.364 11.202 1.00 0.00 C ATOM 1593 C GLY A 102 -19.912 -2.089 10.552 1.00 0.00 C ATOM 1594 O GLY A 102 -20.559 -1.049 10.674 1.00 0.00 O ATOM 0 H GLY A 102 -21.464 -2.789 12.890 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -19.644 -4.149 11.020 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -21.310 -3.685 10.737 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.786 -2.167 9.865 1.00 0.00 N ATOM 1599 CA CYS A 103 -18.229 -1.027 9.172 1.00 0.00 C ATOM 1600 C CYS A 103 -17.995 -1.349 7.700 1.00 0.00 C ATOM 1601 O CYS A 103 -17.345 -2.348 7.362 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.917 -0.599 9.825 1.00 0.00 C ATOM 1603 SG CYS A 103 -16.039 0.702 8.932 1.00 0.00 S ATOM 0 H CYS A 103 -18.236 -3.021 9.774 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.944 -0.207 9.238 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -17.123 -0.254 10.838 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -16.266 -1.469 9.911 1.00 0.00 H new ATOM 0 HG CYS A 103 -15.173 1.263 9.723 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.540 -0.515 6.832 1.00 0.00 N ATOM 1610 CA VAL A 104 -18.369 -0.658 5.389 1.00 0.00 C ATOM 1611 C VAL A 104 -18.218 0.721 4.759 1.00 0.00 C ATOM 1612 O VAL A 104 -18.624 1.713 5.354 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.572 -1.394 4.719 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -19.641 -2.849 5.147 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.876 -0.691 5.034 1.00 0.00 C ATOM 0 H VAL A 104 -19.115 0.283 7.104 1.00 0.00 H new ATOM 0 HA VAL A 104 -17.476 -1.260 5.224 1.00 0.00 H new ATOM 0 HB VAL A 104 -19.413 -1.367 3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -20.490 -3.331 4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -18.721 -3.357 4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -19.762 -2.905 6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.700 -1.222 4.557 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -21.030 -0.677 6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.838 0.332 4.659 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.621 0.812 3.561 1.00 0.00 N ATOM 1626 CA PRO A 105 -17.459 2.094 2.854 1.00 0.00 C ATOM 1627 C PRO A 105 -18.813 2.738 2.538 1.00 0.00 C ATOM 1628 O PRO A 105 -19.823 2.038 2.397 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.734 1.701 1.560 1.00 0.00 C ATOM 1630 CG PRO A 105 -16.979 0.237 1.412 1.00 0.00 C ATOM 1631 CD PRO A 105 -17.043 -0.307 2.802 1.00 0.00 C ATOM 0 HA PRO A 105 -16.916 2.830 3.447 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.123 2.255 0.706 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.668 1.919 1.623 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.909 0.048 0.875 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -16.180 -0.238 0.843 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -17.666 -1.200 2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -16.056 -0.582 3.175 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.828 4.065 2.439 1.00 0.00 N ATOM 1640 CA TYR A 106 -20.061 4.808 2.192 1.00 0.00 C ATOM 1641 C TYR A 106 -20.716 4.367 0.886 1.00 0.00 C ATOM 1642 O TYR A 106 -20.139 4.504 -0.198 1.00 0.00 O ATOM 1643 CB TYR A 106 -19.772 6.321 2.143 1.00 0.00 C ATOM 1644 CG TYR A 106 -21.014 7.207 2.129 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -21.690 7.487 0.942 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -21.504 7.767 3.304 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -22.812 8.297 0.929 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -22.625 8.581 3.296 1.00 0.00 C ATOM 1649 CZ TYR A 106 -23.275 8.842 2.107 1.00 0.00 C ATOM 1650 OH TYR A 106 -24.392 9.655 2.098 1.00 0.00 O ATOM 0 H TYR A 106 -17.997 4.650 2.526 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.748 4.598 3.012 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.161 6.589 3.005 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.179 6.535 1.254 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.331 7.064 0.015 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -21.002 7.564 4.238 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.323 8.501 -0.000 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -22.989 9.010 4.218 1.00 0.00 H new ATOM 0 HH TYR A 106 -24.585 9.955 3.011 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.918 3.834 1.003 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.690 3.415 -0.143 1.00 0.00 C ATOM 1662 C LYS A 107 -24.098 3.967 -0.052 1.00 0.00 C ATOM 1663 O LYS A 107 -24.702 3.973 1.023 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.719 1.887 -0.274 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.385 1.276 -0.666 1.00 0.00 C ATOM 1666 CD LYS A 107 -21.505 -0.220 -0.875 1.00 0.00 C ATOM 1667 CE LYS A 107 -20.196 -0.821 -1.354 1.00 0.00 C ATOM 1668 NZ LYS A 107 -20.322 -2.274 -1.615 1.00 0.00 N ATOM 0 H LYS A 107 -22.383 3.681 1.898 1.00 0.00 H new ATOM 0 HA LYS A 107 -22.209 3.812 -1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -23.039 1.457 0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.466 1.610 -1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -21.022 1.745 -1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.647 1.479 0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -21.805 -0.696 0.058 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -22.289 -0.425 -1.604 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -19.875 -0.315 -2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -19.422 -0.652 -0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -19.408 -2.649 -1.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -20.604 -2.761 -0.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -21.042 -2.434 -2.348 1.00 0.00 H new ATOM 1682 N HIS A 108 -24.620 4.420 -1.180 1.00 0.00 N ATOM 1683 CA HIS A 108 -25.941 5.034 -1.236 1.00 0.00 C ATOM 1684 C HIS A 108 -27.036 4.068 -0.778 1.00 0.00 C ATOM 1685 O HIS A 108 -27.964 4.462 -0.063 1.00 0.00 O ATOM 1686 CB HIS A 108 -26.238 5.544 -2.652 1.00 0.00 C ATOM 1687 CG HIS A 108 -27.553 6.255 -2.775 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -27.788 7.496 -2.229 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -28.713 5.887 -3.371 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -29.031 7.861 -2.480 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -29.612 6.903 -3.172 1.00 0.00 N ATOM 0 H HIS A 108 -24.144 4.374 -2.081 1.00 0.00 H new ATOM 0 HA HIS A 108 -25.938 5.880 -0.548 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -25.440 6.220 -2.960 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -26.225 4.700 -3.342 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -28.895 4.965 -3.903 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -29.493 8.787 -2.171 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -30.576 6.915 -3.506 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.927 2.813 -1.189 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.913 1.806 -0.824 1.00 0.00 C ATOM 1701 C GLU A 109 -27.930 1.581 0.683 1.00 0.00 C ATOM 1702 O GLU A 109 -29.000 1.493 1.294 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.626 0.494 -1.543 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.620 -0.601 -1.221 1.00 0.00 C ATOM 1705 CD GLU A 109 -28.322 -1.890 -1.945 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -27.400 -2.616 -1.528 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -29.024 -2.195 -2.931 1.00 0.00 O ATOM 0 H GLU A 109 -26.167 2.468 -1.775 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.894 2.170 -1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.628 0.670 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.625 0.155 -1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -28.617 -0.784 -0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.623 -0.265 -1.485 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.748 1.527 1.278 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.619 1.314 2.711 1.00 0.00 C ATOM 1716 C LEU A 110 -27.295 2.441 3.466 1.00 0.00 C ATOM 1717 O LEU A 110 -28.056 2.214 4.399 1.00 0.00 O ATOM 1718 CB LEU A 110 -25.147 1.276 3.103 1.00 0.00 C ATOM 1719 CG LEU A 110 -24.868 1.084 4.589 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -25.199 -0.335 5.028 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -23.438 1.443 4.917 1.00 0.00 C ATOM 0 H LEU A 110 -25.860 1.628 0.787 1.00 0.00 H new ATOM 0 HA LEU A 110 -27.092 0.365 2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -24.663 0.469 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.679 2.206 2.781 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.517 1.760 5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -24.991 -0.445 6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -26.254 -0.537 4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -24.590 -1.042 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -23.262 1.298 5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -22.763 0.804 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -23.256 2.486 4.658 1.00 0.00 H new ATOM 1733 N ILE A 111 -27.037 3.655 3.023 1.00 0.00 N ATOM 1734 CA ILE A 111 -27.593 4.832 3.654 1.00 0.00 C ATOM 1735 C ILE A 111 -29.106 4.824 3.557 1.00 0.00 C ATOM 1736 O ILE A 111 -29.794 5.122 4.527 1.00 0.00 O ATOM 1737 CB ILE A 111 -27.034 6.129 3.018 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -25.503 6.127 3.062 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -27.590 7.365 3.719 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -24.924 6.029 4.457 1.00 0.00 C ATOM 0 H ILE A 111 -26.439 3.852 2.220 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.302 4.811 4.704 1.00 0.00 H new ATOM 0 HB ILE A 111 -27.352 6.162 1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -25.134 5.291 2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -25.136 7.039 2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -27.182 8.262 3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -28.677 7.374 3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -27.309 7.343 4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -23.835 6.034 4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -25.260 6.879 5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.259 5.104 4.926 1.00 0.00 H new ATOM 1752 N SER A 112 -29.617 4.470 2.392 1.00 0.00 N ATOM 1753 CA SER A 112 -31.049 4.459 2.166 1.00 0.00 C ATOM 1754 C SER A 112 -31.769 3.483 3.107 1.00 0.00 C ATOM 1755 O SER A 112 -32.774 3.842 3.727 1.00 0.00 O ATOM 1756 CB SER A 112 -31.348 4.108 0.708 1.00 0.00 C ATOM 1757 OG SER A 112 -30.664 4.989 -0.177 1.00 0.00 O ATOM 0 H SER A 112 -29.059 4.186 1.587 1.00 0.00 H new ATOM 0 HA SER A 112 -31.426 5.459 2.381 1.00 0.00 H new ATOM 0 HB2 SER A 112 -31.047 3.080 0.508 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.421 4.167 0.528 1.00 0.00 H new ATOM 0 HG SER A 112 -29.719 4.736 -0.225 1.00 0.00 H new ATOM 1763 N GLU A 113 -31.241 2.266 3.236 1.00 0.00 N ATOM 1764 CA GLU A 113 -31.866 1.267 4.096 1.00 0.00 C ATOM 1765 C GLU A 113 -31.804 1.688 5.566 1.00 0.00 C ATOM 1766 O GLU A 113 -32.806 1.625 6.283 1.00 0.00 O ATOM 1767 CB GLU A 113 -31.212 -0.106 3.900 1.00 0.00 C ATOM 1768 CG GLU A 113 -31.378 -0.664 2.490 1.00 0.00 C ATOM 1769 CD GLU A 113 -30.782 -2.049 2.325 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -31.354 -3.017 2.861 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -29.739 -2.182 1.649 1.00 0.00 O ATOM 0 H GLU A 113 -30.394 1.953 2.762 1.00 0.00 H new ATOM 0 HA GLU A 113 -32.915 1.191 3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -30.149 -0.029 4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -31.642 -0.809 4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -32.439 -0.699 2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -30.907 0.015 1.779 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.630 2.121 6.003 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.428 2.572 7.366 1.00 0.00 C ATOM 1780 C LEU A 114 -31.244 3.829 7.702 1.00 0.00 C ATOM 1781 O LEU A 114 -31.817 3.923 8.790 1.00 0.00 O ATOM 1782 CB LEU A 114 -28.941 2.793 7.634 1.00 0.00 C ATOM 1783 CG LEU A 114 -28.135 1.530 7.985 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -28.180 0.499 6.868 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -26.702 1.888 8.324 1.00 0.00 C ATOM 0 H LEU A 114 -29.794 2.168 5.421 1.00 0.00 H new ATOM 0 HA LEU A 114 -30.794 1.785 8.025 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -28.495 3.253 6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -28.839 3.506 8.452 1.00 0.00 H new ATOM 0 HG LEU A 114 -28.601 1.080 8.862 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -27.598 -0.376 7.157 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -29.214 0.204 6.686 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -27.760 0.929 5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -26.149 0.981 8.569 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -26.237 2.377 7.468 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -26.688 2.564 9.179 1.00 0.00 H new ATOM 1797 N SER A 115 -31.300 4.792 6.780 1.00 0.00 N ATOM 1798 CA SER A 115 -32.055 6.020 7.020 1.00 0.00 C ATOM 1799 C SER A 115 -33.546 5.733 7.177 1.00 0.00 C ATOM 1800 O SER A 115 -34.212 6.294 8.051 1.00 0.00 O ATOM 1801 CB SER A 115 -31.813 7.037 5.907 1.00 0.00 C ATOM 1802 OG SER A 115 -30.439 7.385 5.842 1.00 0.00 O ATOM 0 H SER A 115 -30.838 4.746 5.872 1.00 0.00 H new ATOM 0 HA SER A 115 -31.698 6.449 7.956 1.00 0.00 H new ATOM 0 HB2 SER A 115 -32.135 6.623 4.952 1.00 0.00 H new ATOM 0 HB3 SER A 115 -32.412 7.930 6.085 1.00 0.00 H new ATOM 0 HG SER A 115 -29.960 6.726 5.297 1.00 0.00 H new