USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 578 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 Single : A 11 TYR OH : rot 180:sc= -0.525 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0135 K(o=-0.013,f=-1.3) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 70:sc= 0.29 USER MOD Single : A 31 ASN : amide:sc= -3.38 K(o=-3.4,f=-5.2!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.6) USER MOD Single : A 56 SER OG : rot 118:sc= 0.244 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -0.639 F(o=-2,f=-0.64) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.57) USER MOD Single : A 64 GLN : amide:sc= -0.0355 K(o=-0.035,f=-0.66) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 32:sc= 0.102 USER MOD Single : A 89 LYS NZ :NH3+ 173:sc= -0.353 (180deg=-0.417) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.024 X(o=-0.024,f=-0.11) USER MOD Single : A 103 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.103) USER MOD ----------------------------------------------------------------- ATOM 124 N TYR A 11 11.529 4.557 -4.566 1.00 0.00 N ATOM 125 CA TYR A 11 11.193 4.670 -3.157 1.00 0.00 C ATOM 126 C TYR A 11 10.312 5.894 -2.901 1.00 0.00 C ATOM 127 O TYR A 11 10.180 6.761 -3.764 1.00 0.00 O ATOM 128 CB TYR A 11 12.521 4.849 -2.419 1.00 0.00 C ATOM 129 CG TYR A 11 13.414 3.607 -2.436 1.00 0.00 C ATOM 130 CD1 TYR A 11 12.865 2.359 -2.220 1.00 0.00 C ATOM 131 CD2 TYR A 11 14.769 3.734 -2.668 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.706 1.190 -2.236 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.609 2.565 -2.684 1.00 0.00 C ATOM 134 CZ TYR A 11 15.037 1.351 -2.467 1.00 0.00 C ATOM 135 OH TYR A 11 15.831 0.247 -2.482 1.00 0.00 O ATOM 0 HA TYR A 11 10.644 3.790 -2.822 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.065 5.681 -2.867 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.316 5.122 -1.384 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.805 2.259 -2.039 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.199 4.710 -2.837 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.289 0.208 -2.068 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.670 2.651 -2.864 1.00 0.00 H new ATOM 0 HH TYR A 11 16.757 0.513 -2.660 1.00 0.00 H new ATOM 145 N LYS A 12 9.732 5.928 -1.710 1.00 0.00 N ATOM 146 CA LYS A 12 8.867 7.031 -1.329 1.00 0.00 C ATOM 147 C LYS A 12 7.985 7.416 -2.519 1.00 0.00 C ATOM 148 O LYS A 12 8.112 8.513 -3.061 1.00 0.00 O ATOM 149 CB LYS A 12 9.694 8.193 -0.776 1.00 0.00 C ATOM 150 CG LYS A 12 10.266 7.852 0.602 1.00 0.00 C ATOM 151 CD LYS A 12 9.875 8.911 1.635 1.00 0.00 C ATOM 152 CE LYS A 12 10.557 10.247 1.336 1.00 0.00 C ATOM 153 NZ LYS A 12 11.013 10.888 2.590 1.00 0.00 N ATOM 0 H LYS A 12 9.845 5.208 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 12 8.200 6.731 -0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.507 8.425 -1.464 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.072 9.085 -0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.900 6.876 0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.352 7.781 0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.793 9.043 1.634 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.154 8.571 2.633 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.407 10.088 0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.864 10.907 0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.474 11.794 2.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.196 11.057 3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.690 10.264 3.073 1.00 0.00 H new ATOM 167 N GLN A 13 7.110 6.493 -2.889 1.00 0.00 N ATOM 168 CA GLN A 13 6.207 6.722 -4.004 1.00 0.00 C ATOM 169 C GLN A 13 4.873 6.013 -3.761 1.00 0.00 C ATOM 170 O GLN A 13 4.836 4.796 -3.585 1.00 0.00 O ATOM 171 CB GLN A 13 6.837 6.268 -5.322 1.00 0.00 C ATOM 172 CG GLN A 13 5.813 6.297 -6.458 1.00 0.00 C ATOM 173 CD GLN A 13 6.499 6.158 -7.819 1.00 0.00 C ATOM 174 OE1 GLN A 13 7.713 6.165 -7.934 1.00 0.00 O ATOM 175 NE2 GLN A 13 5.656 6.032 -8.839 1.00 0.00 N ATOM 0 H GLN A 13 7.007 5.585 -2.436 1.00 0.00 H new ATOM 0 HA GLN A 13 6.019 7.793 -4.079 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.678 6.916 -5.569 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.234 5.259 -5.211 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.094 5.489 -6.325 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.252 7.231 -6.423 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.650 6.034 -8.672 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.015 5.933 -9.788 1.00 0.00 H new ATOM 184 N ILE A 14 3.810 6.804 -3.758 1.00 0.00 N ATOM 185 CA ILE A 14 2.478 6.267 -3.540 1.00 0.00 C ATOM 186 C ILE A 14 2.024 5.514 -4.792 1.00 0.00 C ATOM 187 O ILE A 14 2.060 6.058 -5.895 1.00 0.00 O ATOM 188 CB ILE A 14 1.517 7.377 -3.108 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.131 8.232 -1.996 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.159 6.800 -2.704 1.00 0.00 C ATOM 191 CD1 ILE A 14 1.849 7.625 -0.620 1.00 0.00 C ATOM 0 H ILE A 14 3.844 7.813 -3.903 1.00 0.00 H new ATOM 0 HA ILE A 14 2.487 5.548 -2.721 1.00 0.00 H new ATOM 0 HB ILE A 14 1.347 8.033 -3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.207 8.314 -2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.724 9.242 -2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.505 7.610 -2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.278 6.270 -3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.291 6.108 -1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.296 8.251 0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.772 7.567 -0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.278 6.624 -0.569 1.00 0.00 H new ATOM 203 N VAL A 15 1.608 4.274 -4.580 1.00 0.00 N ATOM 204 CA VAL A 15 1.149 3.441 -5.678 1.00 0.00 C ATOM 205 C VAL A 15 -0.041 2.600 -5.210 1.00 0.00 C ATOM 206 O VAL A 15 -0.346 2.557 -4.019 1.00 0.00 O ATOM 207 CB VAL A 15 2.306 2.595 -6.212 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.157 3.393 -7.202 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.161 2.050 -5.067 1.00 0.00 C ATOM 0 H VAL A 15 1.579 3.826 -3.664 1.00 0.00 H new ATOM 0 HA VAL A 15 0.805 4.058 -6.508 1.00 0.00 H new ATOM 0 HB VAL A 15 1.881 1.745 -6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.973 2.769 -7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.538 3.709 -8.042 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.567 4.271 -6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.976 1.452 -5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.572 2.880 -4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.545 1.429 -4.417 1.00 0.00 H new ATOM 219 N TRP A 16 -0.681 1.952 -6.172 1.00 0.00 N ATOM 220 CA TRP A 16 -1.831 1.115 -5.874 1.00 0.00 C ATOM 221 C TRP A 16 -1.382 -0.346 -5.944 1.00 0.00 C ATOM 222 O TRP A 16 -0.922 -0.809 -6.987 1.00 0.00 O ATOM 223 CB TRP A 16 -2.996 1.428 -6.815 1.00 0.00 C ATOM 224 CG TRP A 16 -3.667 2.777 -6.548 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.426 3.951 -7.147 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.704 3.044 -5.581 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.230 4.952 -6.640 1.00 0.00 N ATOM 228 CE2 TRP A 16 -5.032 4.383 -5.657 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.345 2.184 -4.673 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -6.009 4.980 -4.852 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.320 2.796 -3.875 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.661 4.142 -3.939 1.00 0.00 C ATOM 0 H TRP A 16 -0.425 1.990 -7.159 1.00 0.00 H new ATOM 0 HA TRP A 16 -2.206 1.317 -4.871 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.634 1.411 -7.843 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.743 0.639 -6.727 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.695 4.096 -7.928 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.235 5.929 -6.933 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.105 1.134 -4.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.247 6.030 -4.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.844 2.179 -3.160 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.425 4.540 -3.288 1.00 0.00 H new ATOM 243 N VAL A 17 -1.531 -1.032 -4.820 1.00 0.00 N ATOM 244 CA VAL A 17 -1.147 -2.431 -4.740 1.00 0.00 C ATOM 245 C VAL A 17 -2.249 -3.294 -5.358 1.00 0.00 C ATOM 246 O VAL A 17 -3.430 -2.966 -5.255 1.00 0.00 O ATOM 247 CB VAL A 17 -0.836 -2.806 -3.290 1.00 0.00 C ATOM 248 CG1 VAL A 17 -2.122 -3.049 -2.498 1.00 0.00 C ATOM 249 CG2 VAL A 17 0.086 -4.026 -3.225 1.00 0.00 C ATOM 0 H VAL A 17 -1.913 -0.645 -3.957 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.236 -2.610 -5.310 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.314 -1.966 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.872 -3.314 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.728 -2.143 -2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.683 -3.863 -2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.292 -4.272 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.398 -4.874 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.022 -3.802 -3.736 1.00 0.00 H new ATOM 259 N LYS A 18 -1.824 -4.380 -5.985 1.00 0.00 N ATOM 260 CA LYS A 18 -2.761 -5.293 -6.619 1.00 0.00 C ATOM 261 C LYS A 18 -3.085 -6.436 -5.655 1.00 0.00 C ATOM 262 O LYS A 18 -2.183 -7.111 -5.162 1.00 0.00 O ATOM 263 CB LYS A 18 -2.218 -5.764 -7.971 1.00 0.00 C ATOM 264 CG LYS A 18 -3.042 -6.932 -8.515 1.00 0.00 C ATOM 265 CD LYS A 18 -2.973 -6.988 -10.042 1.00 0.00 C ATOM 266 CE LYS A 18 -4.328 -7.372 -10.640 1.00 0.00 C ATOM 267 NZ LYS A 18 -4.185 -7.713 -12.073 1.00 0.00 N ATOM 0 H LYS A 18 -0.844 -4.649 -6.068 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.700 -4.784 -6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.237 -4.938 -8.682 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.177 -6.068 -7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.673 -7.868 -8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.080 -6.828 -8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.662 -6.019 -10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.218 -7.712 -10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.744 -8.221 -10.098 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.030 -6.546 -10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.114 -7.971 -12.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.809 -6.892 -12.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.532 -8.516 -12.175 1.00 0.00 H new ATOM 366 N TRP A 24 -8.296 -2.722 -5.315 1.00 0.00 N ATOM 367 CA TRP A 24 -6.882 -2.607 -5.001 1.00 0.00 C ATOM 368 C TRP A 24 -6.754 -1.925 -3.636 1.00 0.00 C ATOM 369 O TRP A 24 -7.756 -1.546 -3.032 1.00 0.00 O ATOM 370 CB TRP A 24 -6.132 -1.867 -6.110 1.00 0.00 C ATOM 371 CG TRP A 24 -6.078 -2.626 -7.438 1.00 0.00 C ATOM 372 CD1 TRP A 24 -7.072 -3.278 -8.056 1.00 0.00 C ATOM 373 CD2 TRP A 24 -4.925 -2.785 -8.291 1.00 0.00 C ATOM 374 NE1 TRP A 24 -6.646 -3.844 -9.240 1.00 0.00 N ATOM 375 CE2 TRP A 24 -5.299 -3.535 -9.388 1.00 0.00 C ATOM 376 CE3 TRP A 24 -3.610 -2.312 -8.141 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -4.417 -3.877 -10.419 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -2.740 -2.663 -9.180 1.00 0.00 C ATOM 379 CH2 TRP A 24 -3.101 -3.417 -10.291 1.00 0.00 C ATOM 0 HA TRP A 24 -6.419 -3.592 -4.943 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.609 -0.901 -6.275 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.114 -1.667 -5.776 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -8.080 -3.351 -7.675 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.215 -4.389 -9.888 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.296 -1.724 -7.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -4.734 -4.464 -11.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.717 -2.324 -9.114 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.370 -3.647 -11.052 1.00 0.00 H new ATOM 390 N TRP A 25 -5.513 -1.792 -3.191 1.00 0.00 N ATOM 391 CA TRP A 25 -5.242 -1.163 -1.910 1.00 0.00 C ATOM 392 C TRP A 25 -4.091 -0.173 -2.103 1.00 0.00 C ATOM 393 O TRP A 25 -3.151 -0.447 -2.847 1.00 0.00 O ATOM 394 CB TRP A 25 -4.954 -2.212 -0.834 1.00 0.00 C ATOM 395 CG TRP A 25 -4.939 -1.655 0.591 1.00 0.00 C ATOM 396 CD1 TRP A 25 -3.915 -1.093 1.246 1.00 0.00 C ATOM 397 CD2 TRP A 25 -6.047 -1.630 1.516 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.279 -0.708 2.520 1.00 0.00 N ATOM 399 CE2 TRP A 25 -5.617 -1.045 2.689 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.369 -2.085 1.365 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.446 -0.862 3.803 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -8.184 -1.896 2.487 1.00 0.00 C ATOM 403 CH2 TRP A 25 -7.767 -1.309 3.676 1.00 0.00 C ATOM 0 H TRP A 25 -4.685 -2.109 -3.695 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.116 -0.616 -1.557 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.706 -2.999 -0.898 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -3.990 -2.675 -1.042 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -2.928 -0.958 0.829 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.677 -0.259 3.210 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.727 -2.544 0.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.086 -0.401 4.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -9.209 -2.230 2.425 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.459 -1.198 4.498 1.00 0.00 H new ATOM 414 N PRO A 26 -4.206 0.986 -1.401 1.00 0.00 N ATOM 415 CA PRO A 26 -3.187 2.017 -1.488 1.00 0.00 C ATOM 416 C PRO A 26 -1.938 1.622 -0.697 1.00 0.00 C ATOM 417 O PRO A 26 -2.039 1.000 0.359 1.00 0.00 O ATOM 418 CB PRO A 26 -3.853 3.275 -0.955 1.00 0.00 C ATOM 419 CG PRO A 26 -5.060 2.803 -0.161 1.00 0.00 C ATOM 420 CD PRO A 26 -5.305 1.344 -0.509 1.00 0.00 C ATOM 0 HA PRO A 26 -2.831 2.171 -2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.168 3.842 -0.325 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.155 3.933 -1.770 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.881 2.916 0.908 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.936 3.405 -0.403 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.310 0.719 0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.271 1.210 -0.997 1.00 0.00 H new ATOM 428 N ALA A 27 -0.789 2.000 -1.239 1.00 0.00 N ATOM 429 CA ALA A 27 0.478 1.693 -0.597 1.00 0.00 C ATOM 430 C ALA A 27 1.572 2.587 -1.184 1.00 0.00 C ATOM 431 O ALA A 27 1.403 3.154 -2.262 1.00 0.00 O ATOM 432 CB ALA A 27 0.788 0.204 -0.767 1.00 0.00 C ATOM 0 H ALA A 27 -0.709 2.516 -2.115 1.00 0.00 H new ATOM 0 HA ALA A 27 0.426 1.896 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.738 -0.027 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.004 -0.387 -0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.851 -0.036 -1.828 1.00 0.00 H new ATOM 438 N GLU A 28 2.670 2.684 -0.449 1.00 0.00 N ATOM 439 CA GLU A 28 3.791 3.499 -0.884 1.00 0.00 C ATOM 440 C GLU A 28 5.092 2.698 -0.804 1.00 0.00 C ATOM 441 O GLU A 28 5.332 1.993 0.175 1.00 0.00 O ATOM 442 CB GLU A 28 3.887 4.784 -0.058 1.00 0.00 C ATOM 443 CG GLU A 28 5.287 5.395 -0.155 1.00 0.00 C ATOM 444 CD GLU A 28 6.092 5.125 1.118 1.00 0.00 C ATOM 445 OE1 GLU A 28 5.980 3.990 1.630 1.00 0.00 O ATOM 446 OE2 GLU A 28 6.801 6.059 1.549 1.00 0.00 O ATOM 0 H GLU A 28 2.807 2.212 0.445 1.00 0.00 H new ATOM 0 HA GLU A 28 3.626 3.785 -1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.147 5.503 -0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.652 4.569 0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.810 4.979 -1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.208 6.470 -0.319 1.00 0.00 H new ATOM 453 N ILE A 29 5.898 2.833 -1.847 1.00 0.00 N ATOM 454 CA ILE A 29 7.169 2.131 -1.907 1.00 0.00 C ATOM 455 C ILE A 29 8.124 2.723 -0.869 1.00 0.00 C ATOM 456 O ILE A 29 8.315 3.937 -0.818 1.00 0.00 O ATOM 457 CB ILE A 29 7.723 2.147 -3.333 1.00 0.00 C ATOM 458 CG1 ILE A 29 6.783 1.420 -4.295 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.142 1.576 -3.376 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.245 1.585 -5.744 1.00 0.00 C ATOM 0 H ILE A 29 5.695 3.418 -2.657 1.00 0.00 H new ATOM 0 HA ILE A 29 7.035 1.079 -1.654 1.00 0.00 H new ATOM 0 HB ILE A 29 7.783 3.184 -3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.745 0.361 -4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.771 1.811 -4.185 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.512 1.599 -4.401 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.795 2.175 -2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.131 0.547 -3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.559 1.058 -6.407 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.259 2.644 -6.003 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.247 1.171 -5.856 1.00 0.00 H new ATOM 472 N CYS A 30 8.698 1.838 -0.067 1.00 0.00 N ATOM 473 CA CYS A 30 9.628 2.259 0.967 1.00 0.00 C ATOM 474 C CYS A 30 11.013 1.707 0.621 1.00 0.00 C ATOM 475 O CYS A 30 11.161 0.947 -0.335 1.00 0.00 O ATOM 476 CB CYS A 30 9.168 1.814 2.357 1.00 0.00 C ATOM 477 SG CYS A 30 8.734 3.275 3.370 1.00 0.00 S ATOM 0 H CYS A 30 8.537 0.832 -0.112 1.00 0.00 H new ATOM 0 HA CYS A 30 9.669 3.348 1.001 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.306 1.153 2.269 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.958 1.244 2.846 1.00 0.00 H new ATOM 0 HG CYS A 30 7.640 3.810 2.914 1.00 0.00 H new ATOM 483 N ASN A 31 11.992 2.111 1.417 1.00 0.00 N ATOM 484 CA ASN A 31 13.359 1.667 1.206 1.00 0.00 C ATOM 485 C ASN A 31 13.621 0.418 2.051 1.00 0.00 C ATOM 486 O ASN A 31 12.930 0.177 3.039 1.00 0.00 O ATOM 487 CB ASN A 31 14.360 2.743 1.631 1.00 0.00 C ATOM 488 CG ASN A 31 14.283 3.959 0.705 1.00 0.00 C ATOM 489 OD1 ASN A 31 13.250 4.590 0.551 1.00 0.00 O ATOM 490 ND2 ASN A 31 15.431 4.252 0.101 1.00 0.00 N ATOM 0 H ASN A 31 11.866 2.741 2.209 1.00 0.00 H new ATOM 0 HA ASN A 31 13.485 1.457 0.144 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.157 3.049 2.657 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.370 2.332 1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.484 5.047 -0.536 1.00 0.00 H new ATOM 0 HD22 ASN A 31 16.259 3.682 0.275 1.00 0.00 H new ATOM 497 N PRO A 32 14.647 -0.363 1.619 1.00 0.00 N ATOM 498 CA PRO A 32 15.008 -1.581 2.324 1.00 0.00 C ATOM 499 C PRO A 32 15.752 -1.262 3.623 1.00 0.00 C ATOM 500 O PRO A 32 15.807 -2.091 4.530 1.00 0.00 O ATOM 501 CB PRO A 32 15.850 -2.373 1.337 1.00 0.00 C ATOM 502 CG PRO A 32 16.316 -1.373 0.291 1.00 0.00 C ATOM 503 CD PRO A 32 15.487 -0.109 0.452 1.00 0.00 C ATOM 0 HA PRO A 32 14.139 -2.158 2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.699 -2.841 1.835 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.267 -3.173 0.880 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.376 -1.153 0.419 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.194 -1.784 -0.711 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.122 0.764 0.603 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.884 0.085 -0.435 1.00 0.00 H new ATOM 511 N ARG A 33 16.306 -0.060 3.670 1.00 0.00 N ATOM 512 CA ARG A 33 17.044 0.379 4.842 1.00 0.00 C ATOM 513 C ARG A 33 16.095 1.017 5.859 1.00 0.00 C ATOM 514 O ARG A 33 16.486 1.286 6.994 1.00 0.00 O ATOM 515 CB ARG A 33 18.129 1.389 4.464 1.00 0.00 C ATOM 516 CG ARG A 33 19.136 0.773 3.490 1.00 0.00 C ATOM 517 CD ARG A 33 20.189 -0.048 4.236 1.00 0.00 C ATOM 518 NE ARG A 33 21.536 0.512 3.990 1.00 0.00 N ATOM 519 CZ ARG A 33 22.672 -0.035 4.443 1.00 0.00 C ATOM 520 NH1 ARG A 33 22.631 -1.161 5.169 1.00 0.00 N ATOM 521 NH2 ARG A 33 23.850 0.543 4.170 1.00 0.00 N ATOM 0 H ARG A 33 16.259 0.624 2.915 1.00 0.00 H new ATOM 0 HA ARG A 33 17.518 -0.498 5.282 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.671 2.268 4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.646 1.726 5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.614 0.137 2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.623 1.562 2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 33 19.975 -0.045 5.305 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.152 -1.086 3.907 1.00 0.00 H new ATOM 0 HE ARG A 33 21.604 1.369 3.441 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.735 -1.602 5.377 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.496 -1.577 5.514 1.00 0.00 H new ATOM 0 HH21 ARG A 33 23.882 1.400 3.617 1.00 0.00 H new ATOM 0 HH22 ARG A 33 24.715 0.126 4.515 1.00 0.00 H new ATOM 535 N SER A 34 14.867 1.240 5.415 1.00 0.00 N ATOM 536 CA SER A 34 13.859 1.841 6.272 1.00 0.00 C ATOM 537 C SER A 34 13.139 0.755 7.074 1.00 0.00 C ATOM 538 O SER A 34 13.231 0.720 8.300 1.00 0.00 O ATOM 539 CB SER A 34 12.853 2.652 5.454 1.00 0.00 C ATOM 540 OG SER A 34 12.445 3.838 6.132 1.00 0.00 O ATOM 0 H SER A 34 14.547 1.015 4.473 1.00 0.00 H new ATOM 0 HA SER A 34 14.358 2.522 6.961 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.296 2.917 4.494 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.979 2.037 5.242 1.00 0.00 H new ATOM 0 HG SER A 34 11.804 4.329 5.576 1.00 0.00 H new ATOM 546 N VAL A 35 12.438 -0.104 6.349 1.00 0.00 N ATOM 547 CA VAL A 35 11.702 -1.188 6.978 1.00 0.00 C ATOM 548 C VAL A 35 12.579 -1.840 8.048 1.00 0.00 C ATOM 549 O VAL A 35 13.805 -1.757 7.987 1.00 0.00 O ATOM 550 CB VAL A 35 11.219 -2.177 5.916 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.405 -1.466 4.833 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.394 -2.942 5.304 1.00 0.00 C ATOM 0 H VAL A 35 12.364 -0.072 5.332 1.00 0.00 H new ATOM 0 HA VAL A 35 10.811 -0.807 7.477 1.00 0.00 H new ATOM 0 HB VAL A 35 10.566 -2.900 6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.074 -2.192 4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.536 -0.988 5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.024 -0.710 4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.023 -3.638 4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 35 13.083 -2.238 4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.914 -3.496 6.086 1.00 0.00 H new ATOM 562 N PRO A 36 11.899 -2.491 9.030 1.00 0.00 N ATOM 563 CA PRO A 36 12.603 -3.158 10.112 1.00 0.00 C ATOM 564 C PRO A 36 13.233 -4.467 9.633 1.00 0.00 C ATOM 565 O PRO A 36 12.752 -5.079 8.681 1.00 0.00 O ATOM 566 CB PRO A 36 11.556 -3.364 11.195 1.00 0.00 C ATOM 567 CG PRO A 36 10.210 -3.229 10.503 1.00 0.00 C ATOM 568 CD PRO A 36 10.448 -2.610 9.135 1.00 0.00 C ATOM 0 HA PRO A 36 13.440 -2.573 10.492 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.661 -4.345 11.658 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.664 -2.624 11.988 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.733 -4.204 10.403 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.539 -2.605 11.093 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.044 -3.237 8.341 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.964 -1.637 9.051 1.00 0.00 H new ATOM 576 N LEU A 37 14.301 -4.857 10.313 1.00 0.00 N ATOM 577 CA LEU A 37 15.002 -6.082 9.969 1.00 0.00 C ATOM 578 C LEU A 37 13.985 -7.206 9.764 1.00 0.00 C ATOM 579 O LEU A 37 14.194 -8.095 8.940 1.00 0.00 O ATOM 580 CB LEU A 37 16.069 -6.402 11.018 1.00 0.00 C ATOM 581 CG LEU A 37 17.521 -6.200 10.580 1.00 0.00 C ATOM 582 CD1 LEU A 37 17.850 -7.057 9.357 1.00 0.00 C ATOM 583 CD2 LEU A 37 17.820 -4.719 10.340 1.00 0.00 C ATOM 0 H LEU A 37 14.698 -4.346 11.101 1.00 0.00 H new ATOM 0 HA LEU A 37 15.539 -5.962 9.028 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.885 -5.782 11.895 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.945 -7.439 11.329 1.00 0.00 H new ATOM 0 HG LEU A 37 18.171 -6.533 11.389 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.888 -6.894 9.067 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.702 -8.109 9.600 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.195 -6.779 8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.858 -4.603 10.030 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.163 -4.337 9.559 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.652 -4.160 11.261 1.00 0.00 H new ATOM 595 N ASN A 38 12.904 -7.129 10.526 1.00 0.00 N ATOM 596 CA ASN A 38 11.853 -8.129 10.438 1.00 0.00 C ATOM 597 C ASN A 38 11.519 -8.384 8.967 1.00 0.00 C ATOM 598 O ASN A 38 11.399 -9.532 8.544 1.00 0.00 O ATOM 599 CB ASN A 38 10.579 -7.652 11.137 1.00 0.00 C ATOM 600 CG ASN A 38 9.920 -8.793 11.916 1.00 0.00 C ATOM 601 OD1 ASN A 38 10.181 -9.011 13.087 1.00 0.00 O ATOM 602 ND2 ASN A 38 9.054 -9.505 11.201 1.00 0.00 N ATOM 0 H ASN A 38 12.733 -6.389 11.207 1.00 0.00 H new ATOM 0 HA ASN A 38 12.211 -9.038 10.922 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.817 -6.834 11.816 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.880 -7.260 10.398 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.561 -10.288 11.630 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.883 -9.268 10.224 1.00 0.00 H new ATOM 609 N ILE A 39 11.378 -7.293 8.228 1.00 0.00 N ATOM 610 CA ILE A 39 11.060 -7.383 6.814 1.00 0.00 C ATOM 611 C ILE A 39 12.299 -7.847 6.045 1.00 0.00 C ATOM 612 O ILE A 39 12.201 -8.679 5.145 1.00 0.00 O ATOM 613 CB ILE A 39 10.482 -6.060 6.309 1.00 0.00 C ATOM 614 CG1 ILE A 39 9.373 -5.557 7.234 1.00 0.00 C ATOM 615 CG2 ILE A 39 10.007 -6.186 4.860 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.360 -6.665 7.528 1.00 0.00 C ATOM 0 H ILE A 39 11.478 -6.342 8.583 1.00 0.00 H new ATOM 0 HA ILE A 39 10.283 -8.128 6.645 1.00 0.00 H new ATOM 0 HB ILE A 39 11.276 -5.313 6.323 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.807 -5.199 8.168 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.866 -4.709 6.773 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.601 -5.231 4.526 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.848 -6.465 4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.234 -6.952 4.796 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.582 -6.281 8.188 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.910 -7.003 6.595 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.865 -7.501 8.011 1.00 0.00 H new ATOM 628 N GLN A 40 13.438 -7.288 6.429 1.00 0.00 N ATOM 629 CA GLN A 40 14.695 -7.633 5.788 1.00 0.00 C ATOM 630 C GLN A 40 14.892 -9.151 5.790 1.00 0.00 C ATOM 631 O GLN A 40 15.654 -9.682 4.983 1.00 0.00 O ATOM 632 CB GLN A 40 15.869 -6.927 6.467 1.00 0.00 C ATOM 633 CG GLN A 40 15.756 -5.408 6.317 1.00 0.00 C ATOM 634 CD GLN A 40 17.036 -4.714 6.789 1.00 0.00 C ATOM 635 OE1 GLN A 40 18.135 -5.225 6.657 1.00 0.00 O ATOM 636 NE2 GLN A 40 16.831 -3.524 7.347 1.00 0.00 N ATOM 0 H GLN A 40 13.516 -6.598 7.176 1.00 0.00 H new ATOM 0 HA GLN A 40 14.659 -7.292 4.753 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.894 -7.191 7.524 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.807 -7.271 6.030 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.564 -5.155 5.274 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.906 -5.044 6.895 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.884 -3.154 7.426 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.621 -2.981 7.696 1.00 0.00 H new ATOM 645 N GLY A 41 14.193 -9.805 6.706 1.00 0.00 N ATOM 646 CA GLY A 41 14.282 -11.251 6.823 1.00 0.00 C ATOM 647 C GLY A 41 13.689 -11.939 5.592 1.00 0.00 C ATOM 648 O GLY A 41 14.234 -12.928 5.106 1.00 0.00 O ATOM 0 H GLY A 41 13.563 -9.361 7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.325 -11.546 6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 41 13.754 -11.580 7.718 1.00 0.00 H new ATOM 652 N LEU A 42 12.578 -11.387 5.124 1.00 0.00 N ATOM 653 CA LEU A 42 11.905 -11.935 3.959 1.00 0.00 C ATOM 654 C LEU A 42 12.924 -12.147 2.838 1.00 0.00 C ATOM 655 O LEU A 42 13.166 -13.277 2.419 1.00 0.00 O ATOM 656 CB LEU A 42 10.723 -11.050 3.558 1.00 0.00 C ATOM 657 CG LEU A 42 9.787 -10.625 4.691 1.00 0.00 C ATOM 658 CD1 LEU A 42 8.614 -9.804 4.155 1.00 0.00 C ATOM 659 CD2 LEU A 42 9.317 -11.838 5.497 1.00 0.00 C ATOM 0 H LEU A 42 12.128 -10.567 5.531 1.00 0.00 H new ATOM 0 HA LEU A 42 11.479 -12.911 4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.113 -10.152 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.136 -11.580 2.808 1.00 0.00 H new ATOM 0 HG LEU A 42 10.345 -9.982 5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.964 -9.515 4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.992 -8.909 3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.048 -10.402 3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.653 -11.509 6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.783 -12.526 4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.180 -12.345 5.928 1.00 0.00 H new ATOM 748 N ASP A 48 11.475 -6.829 -6.918 1.00 0.00 N ATOM 749 CA ASP A 48 10.588 -6.570 -5.797 1.00 0.00 C ATOM 750 C ASP A 48 11.272 -5.608 -4.823 1.00 0.00 C ATOM 751 O ASP A 48 12.474 -5.710 -4.586 1.00 0.00 O ATOM 752 CB ASP A 48 10.266 -7.860 -5.040 1.00 0.00 C ATOM 753 CG ASP A 48 9.768 -9.014 -5.911 1.00 0.00 C ATOM 754 OD1 ASP A 48 10.424 -9.269 -6.944 1.00 0.00 O ATOM 755 OD2 ASP A 48 8.743 -9.616 -5.525 1.00 0.00 O ATOM 0 HA ASP A 48 9.665 -6.142 -6.189 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.161 -8.185 -4.510 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.510 -7.642 -4.286 1.00 0.00 H new ATOM 760 N PHE A 49 10.476 -4.695 -4.286 1.00 0.00 N ATOM 761 CA PHE A 49 10.989 -3.716 -3.343 1.00 0.00 C ATOM 762 C PHE A 49 10.100 -3.632 -2.101 1.00 0.00 C ATOM 763 O PHE A 49 8.966 -4.109 -2.111 1.00 0.00 O ATOM 764 CB PHE A 49 10.979 -2.362 -4.055 1.00 0.00 C ATOM 765 CG PHE A 49 9.823 -2.187 -5.042 1.00 0.00 C ATOM 766 CD1 PHE A 49 8.558 -2.000 -4.582 1.00 0.00 C ATOM 767 CD2 PHE A 49 10.062 -2.218 -6.381 1.00 0.00 C ATOM 768 CE1 PHE A 49 7.485 -1.837 -5.498 1.00 0.00 C ATOM 769 CE2 PHE A 49 8.990 -2.055 -7.297 1.00 0.00 C ATOM 770 CZ PHE A 49 7.724 -1.868 -6.837 1.00 0.00 C ATOM 0 H PHE A 49 9.479 -4.613 -4.486 1.00 0.00 H new ATOM 0 HA PHE A 49 11.991 -3.999 -3.021 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.928 -1.570 -3.308 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.921 -2.237 -4.589 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.369 -1.975 -3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.067 -2.367 -6.747 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.480 -1.689 -5.132 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.180 -2.080 -8.360 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.909 -1.744 -7.534 1.00 0.00 H new ATOM 780 N PRO A 50 10.663 -3.007 -1.032 1.00 0.00 N ATOM 781 CA PRO A 50 9.934 -2.855 0.216 1.00 0.00 C ATOM 782 C PRO A 50 8.866 -1.766 0.097 1.00 0.00 C ATOM 783 O PRO A 50 9.151 -0.658 -0.356 1.00 0.00 O ATOM 784 CB PRO A 50 10.996 -2.535 1.255 1.00 0.00 C ATOM 785 CG PRO A 50 12.213 -2.062 0.476 1.00 0.00 C ATOM 786 CD PRO A 50 12.004 -2.430 -0.984 1.00 0.00 C ATOM 0 HA PRO A 50 9.382 -3.753 0.494 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.649 -1.764 1.943 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.233 -3.414 1.854 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.340 -0.985 0.584 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.119 -2.530 0.862 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.082 -1.554 -1.628 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.755 -3.143 -1.324 1.00 0.00 H new ATOM 794 N VAL A 51 7.658 -2.118 0.513 1.00 0.00 N ATOM 795 CA VAL A 51 6.546 -1.185 0.459 1.00 0.00 C ATOM 796 C VAL A 51 5.742 -1.281 1.757 1.00 0.00 C ATOM 797 O VAL A 51 5.911 -2.225 2.527 1.00 0.00 O ATOM 798 CB VAL A 51 5.701 -1.449 -0.789 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.572 -1.466 -2.047 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.911 -2.752 -0.651 1.00 0.00 C ATOM 0 H VAL A 51 7.425 -3.037 0.889 1.00 0.00 H new ATOM 0 HA VAL A 51 6.910 -0.161 0.377 1.00 0.00 H new ATOM 0 HB VAL A 51 4.985 -0.633 -0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.947 -1.656 -2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.069 -0.502 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.322 -2.252 -1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.319 -2.916 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.602 -3.584 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.248 -2.686 0.212 1.00 0.00 H new ATOM 810 N PHE A 52 4.884 -0.292 1.959 1.00 0.00 N ATOM 811 CA PHE A 52 4.053 -0.253 3.150 1.00 0.00 C ATOM 812 C PHE A 52 2.571 -0.160 2.782 1.00 0.00 C ATOM 813 O PHE A 52 2.158 0.763 2.081 1.00 0.00 O ATOM 814 CB PHE A 52 4.451 0.999 3.933 1.00 0.00 C ATOM 815 CG PHE A 52 3.642 1.217 5.213 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.779 0.357 6.258 1.00 0.00 C ATOM 817 CD2 PHE A 52 2.786 2.269 5.306 1.00 0.00 C ATOM 818 CE1 PHE A 52 3.028 0.559 7.447 1.00 0.00 C ATOM 819 CE2 PHE A 52 2.035 2.471 6.494 1.00 0.00 C ATOM 820 CZ PHE A 52 2.172 1.612 7.539 1.00 0.00 C ATOM 0 H PHE A 52 4.746 0.489 1.317 1.00 0.00 H new ATOM 0 HA PHE A 52 4.198 -1.162 3.734 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.508 0.933 4.191 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.334 1.870 3.289 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.459 -0.479 6.184 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.677 2.951 4.476 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.137 -0.123 8.277 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.355 3.307 6.568 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.601 1.766 8.443 1.00 0.00 H new ATOM 830 N PHE A 53 1.811 -1.129 3.271 1.00 0.00 N ATOM 831 CA PHE A 53 0.383 -1.167 3.002 1.00 0.00 C ATOM 832 C PHE A 53 -0.399 -0.418 4.083 1.00 0.00 C ATOM 833 O PHE A 53 -0.647 -0.956 5.161 1.00 0.00 O ATOM 834 CB PHE A 53 -0.035 -2.639 3.016 1.00 0.00 C ATOM 835 CG PHE A 53 0.347 -3.406 1.748 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.642 -3.437 1.336 1.00 0.00 C ATOM 837 CD2 PHE A 53 -0.610 -4.056 1.032 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.996 -4.149 0.159 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.257 -4.767 -0.144 1.00 0.00 C ATOM 840 CZ PHE A 53 1.039 -4.799 -0.557 1.00 0.00 C ATOM 0 H PHE A 53 2.157 -1.893 3.851 1.00 0.00 H new ATOM 0 HA PHE A 53 0.172 -0.692 2.044 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.423 -3.128 3.876 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.115 -2.698 3.153 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.402 -2.920 1.904 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.639 -4.031 1.359 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.025 -4.174 -0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.017 -5.283 -0.712 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.308 -5.340 -1.452 1.00 0.00 H new ATOM 850 N PHE A 54 -0.766 0.813 3.756 1.00 0.00 N ATOM 851 CA PHE A 54 -1.514 1.642 4.685 1.00 0.00 C ATOM 852 C PHE A 54 -2.697 0.872 5.277 1.00 0.00 C ATOM 853 O PHE A 54 -3.041 -0.208 4.798 1.00 0.00 O ATOM 854 CB PHE A 54 -2.045 2.837 3.891 1.00 0.00 C ATOM 855 CG PHE A 54 -0.979 3.557 3.063 1.00 0.00 C ATOM 856 CD1 PHE A 54 0.139 4.042 3.667 1.00 0.00 C ATOM 857 CD2 PHE A 54 -1.148 3.710 1.722 1.00 0.00 C ATOM 858 CE1 PHE A 54 1.129 4.710 2.899 1.00 0.00 C ATOM 859 CE2 PHE A 54 -0.158 4.378 0.954 1.00 0.00 C ATOM 860 CZ PHE A 54 0.959 4.864 1.558 1.00 0.00 C ATOM 0 H PHE A 54 -0.559 1.256 2.861 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.870 1.954 5.507 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.837 2.495 3.225 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.495 3.549 4.583 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.274 3.919 4.731 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.035 3.324 1.242 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.016 5.096 3.379 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.292 4.500 -0.111 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.711 5.372 0.973 1.00 0.00 H new ATOM 870 N GLY A 55 -3.287 1.458 6.308 1.00 0.00 N ATOM 871 CA GLY A 55 -4.424 0.840 6.970 1.00 0.00 C ATOM 872 C GLY A 55 -3.987 -0.374 7.791 1.00 0.00 C ATOM 873 O GLY A 55 -4.152 -0.395 9.010 1.00 0.00 O ATOM 0 H GLY A 55 -2.999 2.354 6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.910 1.567 7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.160 0.535 6.227 1.00 0.00 H new ATOM 877 N SER A 56 -3.439 -1.356 7.091 1.00 0.00 N ATOM 878 CA SER A 56 -2.977 -2.571 7.740 1.00 0.00 C ATOM 879 C SER A 56 -1.596 -2.342 8.358 1.00 0.00 C ATOM 880 O SER A 56 -1.326 -2.797 9.468 1.00 0.00 O ATOM 881 CB SER A 56 -2.930 -3.739 6.754 1.00 0.00 C ATOM 882 OG SER A 56 -2.064 -3.474 5.653 1.00 0.00 O ATOM 0 H SER A 56 -3.304 -1.335 6.080 1.00 0.00 H new ATOM 0 HA SER A 56 -3.684 -2.826 8.530 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.594 -4.637 7.272 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.935 -3.942 6.384 1.00 0.00 H new ATOM 0 HG SER A 56 -1.330 -4.124 5.650 1.00 0.00 H new ATOM 888 N HIS A 57 -0.759 -1.637 7.612 1.00 0.00 N ATOM 889 CA HIS A 57 0.587 -1.342 8.072 1.00 0.00 C ATOM 890 C HIS A 57 1.419 -2.626 8.083 1.00 0.00 C ATOM 891 O HIS A 57 1.738 -3.155 9.146 1.00 0.00 O ATOM 892 CB HIS A 57 0.555 -0.645 9.434 1.00 0.00 C ATOM 893 CG HIS A 57 -0.383 0.537 9.498 1.00 0.00 C ATOM 894 ND1 HIS A 57 -1.226 1.056 8.560 1.00 0.00 N flip ATOM 895 CD2 HIS A 57 -0.521 1.324 10.627 1.00 0.00 C flip ATOM 896 CE1 HIS A 57 -1.847 2.104 9.089 1.00 0.00 C flip ATOM 897 NE2 HIS A 57 -1.411 2.271 10.370 1.00 0.00 N flip ATOM 0 H HIS A 57 -0.987 -1.261 6.692 1.00 0.00 H new ATOM 0 HA HIS A 57 1.066 -0.646 7.383 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.263 -1.369 10.194 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.562 -0.310 9.683 1.00 0.00 H new ATOM 0 HD2 HIS A 57 0.007 1.189 11.559 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.577 2.722 8.587 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.717 2.998 11.017 1.00 0.00 H new ATOM 905 N ASP A 58 1.747 -3.090 6.886 1.00 0.00 N ATOM 906 CA ASP A 58 2.535 -4.302 6.744 1.00 0.00 C ATOM 907 C ASP A 58 3.411 -4.192 5.494 1.00 0.00 C ATOM 908 O ASP A 58 2.964 -3.697 4.460 1.00 0.00 O ATOM 909 CB ASP A 58 1.636 -5.529 6.584 1.00 0.00 C ATOM 910 CG ASP A 58 0.353 -5.503 7.417 1.00 0.00 C ATOM 911 OD1 ASP A 58 0.466 -5.198 8.624 1.00 0.00 O ATOM 912 OD2 ASP A 58 -0.712 -5.789 6.829 1.00 0.00 O ATOM 0 H ASP A 58 1.481 -2.648 6.006 1.00 0.00 H new ATOM 0 HA ASP A 58 3.143 -4.415 7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.367 -5.629 5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.208 -6.417 6.852 1.00 0.00 H new ATOM 917 N TYR A 59 4.642 -4.662 5.629 1.00 0.00 N ATOM 918 CA TYR A 59 5.584 -4.623 4.523 1.00 0.00 C ATOM 919 C TYR A 59 5.618 -5.962 3.784 1.00 0.00 C ATOM 920 O TYR A 59 5.547 -7.021 4.407 1.00 0.00 O ATOM 921 CB TYR A 59 6.957 -4.363 5.148 1.00 0.00 C ATOM 922 CG TYR A 59 7.002 -3.137 6.062 1.00 0.00 C ATOM 923 CD1 TYR A 59 6.943 -1.870 5.520 1.00 0.00 C ATOM 924 CD2 TYR A 59 7.102 -3.299 7.429 1.00 0.00 C ATOM 925 CE1 TYR A 59 6.986 -0.716 6.381 1.00 0.00 C ATOM 926 CE2 TYR A 59 7.145 -2.146 8.290 1.00 0.00 C ATOM 927 CZ TYR A 59 7.085 -0.911 7.723 1.00 0.00 C ATOM 928 OH TYR A 59 7.126 0.179 8.536 1.00 0.00 O ATOM 0 H TYR A 59 5.009 -5.072 6.488 1.00 0.00 H new ATOM 0 HA TYR A 59 5.300 -3.855 3.803 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.257 -5.241 5.720 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.690 -4.236 4.351 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.865 -1.743 4.450 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.148 -4.291 7.853 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.941 0.282 5.970 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.223 -2.259 9.361 1.00 0.00 H new ATOM 0 HH TYR A 59 7.196 -0.111 9.469 1.00 0.00 H new ATOM 938 N TYR A 60 5.727 -5.872 2.467 1.00 0.00 N ATOM 939 CA TYR A 60 5.772 -7.063 1.637 1.00 0.00 C ATOM 940 C TYR A 60 6.721 -6.871 0.453 1.00 0.00 C ATOM 941 O TYR A 60 6.998 -5.742 0.051 1.00 0.00 O ATOM 942 CB TYR A 60 4.350 -7.262 1.108 1.00 0.00 C ATOM 943 CG TYR A 60 3.316 -7.551 2.197 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.393 -8.718 2.931 1.00 0.00 C ATOM 945 CD2 TYR A 60 2.305 -6.645 2.447 1.00 0.00 C ATOM 946 CE1 TYR A 60 2.419 -8.989 3.956 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.331 -6.917 3.472 1.00 0.00 C ATOM 948 CZ TYR A 60 1.437 -8.076 4.177 1.00 0.00 C ATOM 949 OH TYR A 60 0.517 -8.332 5.145 1.00 0.00 O ATOM 0 H TYR A 60 5.785 -4.992 1.954 1.00 0.00 H new ATOM 0 HA TYR A 60 6.128 -7.918 2.212 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.048 -6.368 0.563 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.351 -8.086 0.394 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.184 -9.427 2.736 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.245 -5.732 1.874 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.468 -9.898 4.537 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.534 -6.217 3.677 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.123 -7.592 5.192 1.00 0.00 H new ATOM 959 N TRP A 61 7.195 -7.991 -0.073 1.00 0.00 N ATOM 960 CA TRP A 61 8.108 -7.961 -1.203 1.00 0.00 C ATOM 961 C TRP A 61 7.345 -8.439 -2.440 1.00 0.00 C ATOM 962 O TRP A 61 6.949 -9.601 -2.519 1.00 0.00 O ATOM 963 CB TRP A 61 9.362 -8.788 -0.917 1.00 0.00 C ATOM 964 CG TRP A 61 10.184 -8.284 0.271 1.00 0.00 C ATOM 965 CD1 TRP A 61 10.091 -8.655 1.555 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.234 -7.294 0.232 1.00 0.00 C ATOM 967 NE1 TRP A 61 11.000 -7.979 2.343 1.00 0.00 N ATOM 968 CE2 TRP A 61 11.717 -7.126 1.513 1.00 0.00 C ATOM 969 CE3 TRP A 61 11.757 -6.565 -0.851 1.00 0.00 C ATOM 970 CZ2 TRP A 61 12.748 -6.234 1.832 1.00 0.00 C ATOM 971 CZ3 TRP A 61 12.787 -5.678 -0.515 1.00 0.00 C ATOM 972 CH2 TRP A 61 13.285 -5.497 0.770 1.00 0.00 C ATOM 0 H TRP A 61 6.964 -8.926 0.263 1.00 0.00 H new ATOM 0 HA TRP A 61 8.464 -6.947 -1.384 1.00 0.00 H new ATOM 0 HB2 TRP A 61 9.068 -9.821 -0.730 1.00 0.00 H new ATOM 0 HB3 TRP A 61 9.993 -8.792 -1.806 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.393 -9.390 1.926 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.123 -8.086 3.350 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.393 -6.680 -1.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.110 -6.121 2.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.225 -5.093 -1.310 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.083 -4.791 0.948 1.00 0.00 H new ATOM 983 N VAL A 62 7.162 -7.518 -3.375 1.00 0.00 N ATOM 984 CA VAL A 62 6.453 -7.831 -4.605 1.00 0.00 C ATOM 985 C VAL A 62 7.181 -7.187 -5.786 1.00 0.00 C ATOM 986 O VAL A 62 7.554 -6.016 -5.726 1.00 0.00 O ATOM 987 CB VAL A 62 4.992 -7.393 -4.493 1.00 0.00 C ATOM 988 CG1 VAL A 62 4.312 -8.053 -3.290 1.00 0.00 C ATOM 989 CG2 VAL A 62 4.880 -5.869 -4.418 1.00 0.00 C ATOM 0 H VAL A 62 7.492 -6.555 -3.306 1.00 0.00 H new ATOM 0 HA VAL A 62 6.443 -8.907 -4.777 1.00 0.00 H new ATOM 0 HB VAL A 62 4.474 -7.723 -5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.274 -7.725 -3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.344 -9.137 -3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.833 -7.768 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.831 -5.585 -4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.421 -5.507 -3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.309 -5.428 -5.318 1.00 0.00 H new ATOM 999 N HIS A 63 7.362 -7.979 -6.832 1.00 0.00 N ATOM 1000 CA HIS A 63 8.039 -7.500 -8.026 1.00 0.00 C ATOM 1001 C HIS A 63 7.367 -6.216 -8.516 1.00 0.00 C ATOM 1002 O HIS A 63 6.490 -5.675 -7.845 1.00 0.00 O ATOM 1003 CB HIS A 63 8.086 -8.591 -9.098 1.00 0.00 C ATOM 1004 CG HIS A 63 6.730 -8.995 -9.624 1.00 0.00 C ATOM 1005 ND1 HIS A 63 5.836 -9.753 -8.887 1.00 0.00 N ATOM 1006 CD2 HIS A 63 6.125 -8.739 -10.819 1.00 0.00 C ATOM 1007 CE1 HIS A 63 4.745 -9.939 -9.617 1.00 0.00 C ATOM 1008 NE2 HIS A 63 4.926 -9.310 -10.813 1.00 0.00 N ATOM 0 H HIS A 63 7.052 -8.950 -6.878 1.00 0.00 H new ATOM 0 HA HIS A 63 9.075 -7.259 -7.789 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.698 -8.242 -9.930 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.581 -9.470 -8.685 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.549 -8.169 -11.632 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.867 -10.492 -9.317 1.00 0.00 H new ATOM 0 HE2 HIS A 63 4.251 -9.282 -11.578 1.00 0.00 H new ATOM 1016 N GLN A 64 7.805 -5.766 -9.683 1.00 0.00 N ATOM 1017 CA GLN A 64 7.257 -4.556 -10.271 1.00 0.00 C ATOM 1018 C GLN A 64 6.360 -4.903 -11.461 1.00 0.00 C ATOM 1019 O GLN A 64 6.538 -5.941 -12.096 1.00 0.00 O ATOM 1020 CB GLN A 64 8.373 -3.595 -10.688 1.00 0.00 C ATOM 1021 CG GLN A 64 9.011 -4.036 -12.007 1.00 0.00 C ATOM 1022 CD GLN A 64 10.510 -3.729 -12.021 1.00 0.00 C ATOM 1023 OE1 GLN A 64 11.001 -2.873 -11.304 1.00 0.00 O ATOM 1024 NE2 GLN A 64 11.207 -4.473 -12.875 1.00 0.00 N ATOM 0 H GLN A 64 8.533 -6.218 -10.237 1.00 0.00 H new ATOM 0 HA GLN A 64 6.650 -4.052 -9.518 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.970 -2.588 -10.794 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.133 -3.554 -9.908 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.854 -5.105 -12.152 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.524 -3.527 -12.839 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.733 -5.173 -13.446 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.215 -4.344 -12.959 1.00 0.00 H new ATOM 1033 N GLY A 65 5.414 -4.014 -11.726 1.00 0.00 N ATOM 1034 CA GLY A 65 4.487 -4.213 -12.828 1.00 0.00 C ATOM 1035 C GLY A 65 3.091 -4.570 -12.313 1.00 0.00 C ATOM 1036 O GLY A 65 2.166 -4.763 -13.100 1.00 0.00 O ATOM 0 H GLY A 65 5.269 -3.154 -11.197 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.435 -3.307 -13.432 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.853 -5.008 -13.477 1.00 0.00 H new ATOM 1040 N ARG A 66 2.983 -4.647 -10.995 1.00 0.00 N ATOM 1041 CA ARG A 66 1.716 -4.977 -10.366 1.00 0.00 C ATOM 1042 C ARG A 66 1.176 -3.770 -9.595 1.00 0.00 C ATOM 1043 O ARG A 66 0.008 -3.748 -9.210 1.00 0.00 O ATOM 1044 CB ARG A 66 1.869 -6.159 -9.407 1.00 0.00 C ATOM 1045 CG ARG A 66 1.442 -7.467 -10.076 1.00 0.00 C ATOM 1046 CD ARG A 66 0.816 -8.424 -9.060 1.00 0.00 C ATOM 1047 NE ARG A 66 0.658 -9.767 -9.661 1.00 0.00 N ATOM 1048 CZ ARG A 66 0.279 -10.856 -8.978 1.00 0.00 C ATOM 1049 NH1 ARG A 66 0.018 -10.767 -7.667 1.00 0.00 N ATOM 1050 NH2 ARG A 66 0.162 -12.034 -9.607 1.00 0.00 N ATOM 0 H ARG A 66 3.753 -4.486 -10.345 1.00 0.00 H new ATOM 0 HA ARG A 66 1.016 -5.252 -11.155 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.906 -6.235 -9.081 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.266 -5.989 -8.515 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.727 -7.256 -10.871 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.306 -7.940 -10.542 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.444 -8.486 -8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.154 -8.044 -8.739 1.00 0.00 H new ATOM 0 HE ARG A 66 0.850 -9.870 -10.658 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.108 -9.870 -7.189 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.270 -11.596 -7.147 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.361 -12.101 -10.605 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.126 -12.863 -9.088 1.00 0.00 H new ATOM 1064 N VAL A 67 2.051 -2.797 -9.394 1.00 0.00 N ATOM 1065 CA VAL A 67 1.677 -1.590 -8.677 1.00 0.00 C ATOM 1066 C VAL A 67 1.371 -0.478 -9.682 1.00 0.00 C ATOM 1067 O VAL A 67 1.997 -0.402 -10.738 1.00 0.00 O ATOM 1068 CB VAL A 67 2.775 -1.210 -7.681 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.477 -2.457 -7.138 1.00 0.00 C ATOM 1070 CG2 VAL A 67 3.780 -0.247 -8.315 1.00 0.00 C ATOM 0 H VAL A 67 3.019 -2.819 -9.715 1.00 0.00 H new ATOM 0 HA VAL A 67 0.772 -1.759 -8.093 1.00 0.00 H new ATOM 0 HB VAL A 67 2.305 -0.698 -6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.253 -2.160 -6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.750 -3.092 -6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.929 -3.008 -7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.550 0.007 -7.586 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.242 -0.721 -9.181 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.265 0.660 -8.631 1.00 0.00 H new ATOM 1080 N PHE A 68 0.409 0.357 -9.318 1.00 0.00 N ATOM 1081 CA PHE A 68 0.013 1.462 -10.175 1.00 0.00 C ATOM 1082 C PHE A 68 0.433 2.803 -9.571 1.00 0.00 C ATOM 1083 O PHE A 68 0.457 2.958 -8.351 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.513 1.419 -10.283 1.00 0.00 C ATOM 1085 CG PHE A 68 -2.028 1.036 -11.672 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -2.176 -0.274 -12.005 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -2.338 2.006 -12.573 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -2.654 -0.629 -13.294 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -2.816 1.651 -13.862 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.964 0.340 -14.195 1.00 0.00 C ATOM 0 H PHE A 68 -0.108 0.291 -8.441 1.00 0.00 H new ATOM 0 HA PHE A 68 0.493 1.368 -11.149 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.899 0.706 -9.554 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.914 2.397 -10.015 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.930 -1.044 -11.289 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.221 3.046 -12.308 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.771 -1.670 -13.559 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.062 2.421 -14.578 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.328 0.070 -15.175 1.00 0.00 H new ATOM 1100 N PRO A 69 0.761 3.764 -10.476 1.00 0.00 N ATOM 1101 CA PRO A 69 1.179 5.087 -10.044 1.00 0.00 C ATOM 1102 C PRO A 69 -0.017 5.907 -9.556 1.00 0.00 C ATOM 1103 O PRO A 69 -0.998 6.071 -10.279 1.00 0.00 O ATOM 1104 CB PRO A 69 1.863 5.698 -11.256 1.00 0.00 C ATOM 1105 CG PRO A 69 1.397 4.885 -12.452 1.00 0.00 C ATOM 1106 CD PRO A 69 0.744 3.616 -11.928 1.00 0.00 C ATOM 0 HA PRO A 69 1.859 5.057 -9.192 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.593 6.748 -11.369 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.947 5.657 -11.154 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.690 5.459 -13.051 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.239 4.641 -13.099 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.274 3.510 -12.304 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.294 2.729 -12.242 1.00 0.00 H new ATOM 1114 N TYR A 70 0.104 6.400 -8.332 1.00 0.00 N ATOM 1115 CA TYR A 70 -0.954 7.199 -7.739 1.00 0.00 C ATOM 1116 C TYR A 70 -0.859 8.658 -8.192 1.00 0.00 C ATOM 1117 O TYR A 70 0.097 9.355 -7.855 1.00 0.00 O ATOM 1118 CB TYR A 70 -0.736 7.132 -6.226 1.00 0.00 C ATOM 1119 CG TYR A 70 -1.728 7.969 -5.417 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -1.588 9.341 -5.359 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -2.764 7.352 -4.744 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -2.522 10.129 -4.597 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -3.698 8.140 -3.982 1.00 0.00 C ATOM 1124 CZ TYR A 70 -3.530 9.490 -3.946 1.00 0.00 C ATOM 1125 OH TYR A 70 -4.412 10.234 -3.226 1.00 0.00 O ATOM 0 H TYR A 70 0.919 6.261 -7.735 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.932 6.822 -8.037 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.806 6.093 -5.905 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.276 7.468 -6.000 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.778 9.824 -5.885 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.874 6.279 -4.789 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.424 11.203 -4.544 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.513 7.670 -3.451 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.079 9.645 -2.816 1.00 0.00 H new ATOM 1135 N VAL A 71 -1.864 9.076 -8.947 1.00 0.00 N ATOM 1136 CA VAL A 71 -1.906 10.439 -9.449 1.00 0.00 C ATOM 1137 C VAL A 71 -2.539 11.347 -8.394 1.00 0.00 C ATOM 1138 O VAL A 71 -3.119 10.865 -7.421 1.00 0.00 O ATOM 1139 CB VAL A 71 -2.640 10.480 -10.791 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -2.718 11.910 -11.330 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -1.978 9.546 -11.807 1.00 0.00 C ATOM 0 H VAL A 71 -2.655 8.495 -9.223 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.898 10.809 -9.634 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.658 10.128 -10.627 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.244 11.911 -12.284 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.255 12.538 -10.619 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.710 12.301 -11.471 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.519 9.594 -12.752 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.944 9.854 -11.965 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.998 8.524 -11.429 1.00 0.00 H new ATOM 1151 N GLU A 72 -2.407 12.646 -8.620 1.00 0.00 N ATOM 1152 CA GLU A 72 -2.960 13.626 -7.701 1.00 0.00 C ATOM 1153 C GLU A 72 -3.786 14.663 -8.464 1.00 0.00 C ATOM 1154 O GLU A 72 -3.284 15.733 -8.806 1.00 0.00 O ATOM 1155 CB GLU A 72 -1.853 14.299 -6.887 1.00 0.00 C ATOM 1156 CG GLU A 72 -2.439 15.115 -5.733 1.00 0.00 C ATOM 1157 CD GLU A 72 -3.009 14.200 -4.647 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -2.227 13.367 -4.140 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -4.213 14.354 -4.349 1.00 0.00 O ATOM 0 H GLU A 72 -1.925 13.043 -9.427 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.618 13.109 -7.002 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.174 13.542 -6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.265 14.949 -7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.666 15.754 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.224 15.771 -6.109 1.00 0.00 H new ATOM 1367 N THR A 87 -11.247 0.154 7.219 1.00 0.00 N ATOM 1368 CA THR A 87 -9.802 0.235 7.092 1.00 0.00 C ATOM 1369 C THR A 87 -9.420 0.983 5.813 1.00 0.00 C ATOM 1370 O THR A 87 -8.644 1.937 5.855 1.00 0.00 O ATOM 1371 CB THR A 87 -9.241 -1.187 7.155 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.470 -1.591 8.502 1.00 0.00 O ATOM 1373 CG2 THR A 87 -7.719 -1.223 7.008 1.00 0.00 C ATOM 0 HA THR A 87 -9.365 0.809 7.909 1.00 0.00 H new ATOM 0 HB THR A 87 -9.695 -1.792 6.370 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.289 -1.169 8.835 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.373 -2.255 7.060 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.436 -0.793 6.047 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.262 -0.646 7.812 1.00 0.00 H new ATOM 1381 N PHE A 88 -9.982 0.522 4.706 1.00 0.00 N ATOM 1382 CA PHE A 88 -9.710 1.135 3.417 1.00 0.00 C ATOM 1383 C PHE A 88 -9.705 2.661 3.526 1.00 0.00 C ATOM 1384 O PHE A 88 -8.725 3.310 3.163 1.00 0.00 O ATOM 1385 CB PHE A 88 -10.835 0.707 2.471 1.00 0.00 C ATOM 1386 CG PHE A 88 -10.551 0.996 0.996 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -9.477 0.428 0.385 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -11.373 1.823 0.295 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -9.214 0.697 -0.984 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -11.110 2.092 -1.074 1.00 0.00 C ATOM 1391 CZ PHE A 88 -10.036 1.523 -1.685 1.00 0.00 C ATOM 0 H PHE A 88 -10.625 -0.269 4.675 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.732 0.820 3.054 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.012 -0.361 2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.753 1.218 2.761 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.824 -0.228 0.941 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.226 2.275 0.780 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.361 0.246 -1.469 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.763 2.748 -1.630 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.836 1.727 -2.727 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.812 3.190 4.027 1.00 0.00 N ATOM 1402 CA LYS A 89 -10.947 4.628 4.188 1.00 0.00 C ATOM 1403 C LYS A 89 -9.732 5.169 4.945 1.00 0.00 C ATOM 1404 O LYS A 89 -9.171 6.197 4.570 1.00 0.00 O ATOM 1405 CB LYS A 89 -12.285 4.969 4.848 1.00 0.00 C ATOM 1406 CG LYS A 89 -13.128 5.871 3.945 1.00 0.00 C ATOM 1407 CD LYS A 89 -12.545 7.285 3.884 1.00 0.00 C ATOM 1408 CE LYS A 89 -13.236 8.206 4.892 1.00 0.00 C ATOM 1409 NZ LYS A 89 -12.266 9.165 5.466 1.00 0.00 N ATOM 0 H LYS A 89 -11.623 2.649 4.327 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.962 5.121 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.832 4.051 5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.108 5.467 5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.172 5.448 2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.151 5.911 4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.475 7.251 4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.662 7.688 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.046 8.747 4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.684 7.612 5.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.770 9.857 6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.574 8.652 6.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.771 9.661 4.697 1.00 0.00 H new ATOM 1423 N LYS A 90 -9.362 4.452 5.996 1.00 0.00 N ATOM 1424 CA LYS A 90 -8.224 4.846 6.808 1.00 0.00 C ATOM 1425 C LYS A 90 -6.956 4.809 5.954 1.00 0.00 C ATOM 1426 O LYS A 90 -6.163 5.750 5.971 1.00 0.00 O ATOM 1427 CB LYS A 90 -8.142 3.984 8.070 1.00 0.00 C ATOM 1428 CG LYS A 90 -6.892 4.323 8.884 1.00 0.00 C ATOM 1429 CD LYS A 90 -7.140 4.120 10.380 1.00 0.00 C ATOM 1430 CE LYS A 90 -5.833 4.206 11.170 1.00 0.00 C ATOM 1431 NZ LYS A 90 -6.099 4.127 12.624 1.00 0.00 N ATOM 0 H LYS A 90 -9.831 3.600 6.304 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.343 5.872 7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.031 4.141 8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.126 2.930 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.062 3.695 8.561 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.601 5.357 8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.838 4.875 10.742 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.606 3.149 10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.167 3.396 10.872 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.322 5.141 10.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.201 4.187 13.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.717 4.914 12.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.567 3.224 12.843 1.00 0.00 H new ATOM 1445 N ALA A 91 -6.803 3.713 5.226 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.644 3.541 4.366 1.00 0.00 C ATOM 1447 C ALA A 91 -5.650 4.625 3.286 1.00 0.00 C ATOM 1448 O ALA A 91 -4.604 5.177 2.950 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.652 2.129 3.776 1.00 0.00 C ATOM 0 H ALA A 91 -7.462 2.935 5.214 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.722 3.651 4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.783 1.999 3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.617 1.397 4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.562 1.983 3.193 1.00 0.00 H new ATOM 1455 N LEU A 92 -6.841 4.897 2.773 1.00 0.00 N ATOM 1456 CA LEU A 92 -6.997 5.904 1.738 1.00 0.00 C ATOM 1457 C LEU A 92 -6.463 7.243 2.251 1.00 0.00 C ATOM 1458 O LEU A 92 -5.533 7.806 1.675 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.450 5.964 1.262 1.00 0.00 C ATOM 1460 CG LEU A 92 -8.979 4.709 0.564 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.493 4.579 0.744 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.573 4.690 -0.911 1.00 0.00 C ATOM 0 H LEU A 92 -7.707 4.437 3.055 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.409 5.640 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.085 6.172 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.553 6.807 0.578 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.523 3.838 1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.844 3.679 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.729 4.514 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.987 5.451 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.961 3.788 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.982 5.567 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.486 4.701 -0.989 1.00 0.00 H new ATOM 1474 N GLU A 93 -7.074 7.714 3.328 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.671 8.976 3.925 1.00 0.00 C ATOM 1476 C GLU A 93 -5.151 9.024 4.091 1.00 0.00 C ATOM 1477 O GLU A 93 -4.489 9.895 3.531 1.00 0.00 O ATOM 1478 CB GLU A 93 -7.376 9.198 5.265 1.00 0.00 C ATOM 1479 CG GLU A 93 -8.888 9.332 5.073 1.00 0.00 C ATOM 1480 CD GLU A 93 -9.479 10.343 6.057 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -9.281 11.553 5.815 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -10.115 9.883 7.030 1.00 0.00 O ATOM 0 H GLU A 93 -7.845 7.244 3.803 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.969 9.783 3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.163 8.365 5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.985 10.097 5.741 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.102 9.646 4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.363 8.361 5.214 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.642 8.075 4.864 1.00 0.00 N ATOM 1490 CA GLU A 94 -3.212 7.998 5.111 1.00 0.00 C ATOM 1491 C GLU A 94 -2.440 8.105 3.795 1.00 0.00 C ATOM 1492 O GLU A 94 -1.567 8.959 3.651 1.00 0.00 O ATOM 1493 CB GLU A 94 -2.853 6.710 5.855 1.00 0.00 C ATOM 1494 CG GLU A 94 -2.815 6.943 7.367 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.468 6.516 7.954 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -0.454 7.123 7.546 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -1.483 5.593 8.796 1.00 0.00 O ATOM 0 H GLU A 94 -5.194 7.353 5.327 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.927 8.837 5.746 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.583 5.935 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.883 6.347 5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.991 7.997 7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.618 6.382 7.845 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.789 7.225 2.868 1.00 0.00 N ATOM 1505 CA ALA A 95 -2.139 7.209 1.569 1.00 0.00 C ATOM 1506 C ALA A 95 -1.969 8.646 1.071 1.00 0.00 C ATOM 1507 O ALA A 95 -0.877 9.042 0.668 1.00 0.00 O ATOM 1508 CB ALA A 95 -2.954 6.349 0.601 1.00 0.00 C ATOM 0 H ALA A 95 -3.514 6.518 2.991 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.146 6.766 1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.466 6.337 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.021 5.331 0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.956 6.765 0.500 1.00 0.00 H new ATOM 1514 N ALA A 96 -3.067 9.387 1.115 1.00 0.00 N ATOM 1515 CA ALA A 96 -3.053 10.771 0.674 1.00 0.00 C ATOM 1516 C ALA A 96 -2.019 11.552 1.488 1.00 0.00 C ATOM 1517 O ALA A 96 -1.084 12.122 0.928 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.459 11.361 0.798 1.00 0.00 C ATOM 0 H ALA A 96 -3.972 9.055 1.449 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.763 10.836 -0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.448 12.399 0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.149 10.790 0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.783 11.315 1.838 1.00 0.00 H new ATOM 1524 N LYS A 97 -2.222 11.552 2.797 1.00 0.00 N ATOM 1525 CA LYS A 97 -1.320 12.253 3.695 1.00 0.00 C ATOM 1526 C LYS A 97 0.123 12.034 3.233 1.00 0.00 C ATOM 1527 O LYS A 97 0.804 12.981 2.844 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.572 11.833 5.144 1.00 0.00 C ATOM 1529 CG LYS A 97 -1.712 13.056 6.053 1.00 0.00 C ATOM 1530 CD LYS A 97 -3.127 13.153 6.627 1.00 0.00 C ATOM 1531 CE LYS A 97 -3.208 14.235 7.706 1.00 0.00 C ATOM 1532 NZ LYS A 97 -3.752 15.490 7.141 1.00 0.00 N ATOM 0 H LYS A 97 -2.998 11.077 3.258 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.507 13.326 3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.478 11.229 5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.750 11.208 5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.989 12.994 6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.481 13.960 5.490 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.833 13.378 5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.419 12.191 7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.841 13.894 8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.217 14.416 8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.800 16.214 7.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.133 15.823 6.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.706 15.316 6.765 1.00 0.00 H new ATOM 1546 N ARG A 98 0.545 10.780 3.292 1.00 0.00 N ATOM 1547 CA ARG A 98 1.894 10.425 2.885 1.00 0.00 C ATOM 1548 C ARG A 98 2.316 11.249 1.667 1.00 0.00 C ATOM 1549 O ARG A 98 3.265 12.028 1.739 1.00 0.00 O ATOM 1550 CB ARG A 98 1.993 8.936 2.544 1.00 0.00 C ATOM 1551 CG ARG A 98 1.910 8.078 3.808 1.00 0.00 C ATOM 1552 CD ARG A 98 3.242 8.080 4.561 1.00 0.00 C ATOM 1553 NE ARG A 98 3.167 7.168 5.724 1.00 0.00 N ATOM 1554 CZ ARG A 98 4.103 7.092 6.680 1.00 0.00 C ATOM 1555 NH1 ARG A 98 5.189 7.873 6.618 1.00 0.00 N ATOM 1556 NH2 ARG A 98 3.951 6.235 7.699 1.00 0.00 N ATOM 0 H ARG A 98 -0.023 9.997 3.615 1.00 0.00 H new ATOM 0 HA ARG A 98 2.559 10.640 3.721 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.190 8.662 1.860 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.932 8.739 2.027 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.121 8.456 4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.641 7.056 3.541 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.046 7.768 3.895 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.479 9.090 4.895 1.00 0.00 H new ATOM 0 HE ARG A 98 2.352 6.559 5.803 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.304 8.526 5.843 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.901 7.815 7.346 1.00 0.00 H new ATOM 0 HH21 ARG A 98 3.123 5.641 7.747 1.00 0.00 H new ATOM 0 HH22 ARG A 98 4.663 6.177 8.427 1.00 0.00 H new ATOM 1570 N PHE A 99 1.589 11.050 0.578 1.00 0.00 N ATOM 1571 CA PHE A 99 1.875 11.765 -0.654 1.00 0.00 C ATOM 1572 C PHE A 99 2.131 13.248 -0.380 1.00 0.00 C ATOM 1573 O PHE A 99 3.057 13.836 -0.938 1.00 0.00 O ATOM 1574 CB PHE A 99 0.641 11.630 -1.548 1.00 0.00 C ATOM 1575 CG PHE A 99 0.859 12.101 -2.987 1.00 0.00 C ATOM 1576 CD1 PHE A 99 1.692 11.409 -3.810 1.00 0.00 C ATOM 1577 CD2 PHE A 99 0.221 13.211 -3.443 1.00 0.00 C ATOM 1578 CE1 PHE A 99 1.895 11.846 -5.145 1.00 0.00 C ATOM 1579 CE2 PHE A 99 0.424 13.649 -4.779 1.00 0.00 C ATOM 1580 CZ PHE A 99 1.257 12.957 -5.602 1.00 0.00 C ATOM 0 H PHE A 99 0.802 10.404 0.523 1.00 0.00 H new ATOM 0 HA PHE A 99 2.766 11.350 -1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.328 10.586 -1.562 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.177 12.202 -1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.199 10.527 -3.448 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.441 13.760 -2.789 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.556 11.296 -5.798 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.083 14.531 -5.141 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.412 13.289 -6.618 1.00 0.00 H new ATOM 1590 N GLN A 100 1.294 13.812 0.479 1.00 0.00 N ATOM 1591 CA GLN A 100 1.419 15.215 0.834 1.00 0.00 C ATOM 1592 C GLN A 100 2.669 15.439 1.686 1.00 0.00 C ATOM 1593 O GLN A 100 3.290 16.499 1.618 1.00 0.00 O ATOM 1594 CB GLN A 100 0.165 15.710 1.559 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.103 15.243 0.842 1.00 0.00 C ATOM 1596 CD GLN A 100 -1.883 16.432 0.277 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -2.134 17.419 0.949 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -2.251 16.283 -0.992 1.00 0.00 N ATOM 0 H GLN A 100 0.527 13.322 0.939 1.00 0.00 H new ATOM 0 HA GLN A 100 1.522 15.794 -0.084 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.164 15.341 2.585 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.177 16.799 1.612 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.838 14.561 0.034 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.733 14.687 1.536 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.008 15.431 -1.497 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.776 17.021 -1.461 1.00 0.00 H new ATOM 1607 N GLU A 101 3.002 14.423 2.469 1.00 0.00 N ATOM 1608 CA GLU A 101 4.168 14.495 3.333 1.00 0.00 C ATOM 1609 C GLU A 101 5.450 14.384 2.506 1.00 0.00 C ATOM 1610 O GLU A 101 6.324 15.246 2.590 1.00 0.00 O ATOM 1611 CB GLU A 101 4.117 13.413 4.414 1.00 0.00 C ATOM 1612 CG GLU A 101 2.704 13.271 4.982 1.00 0.00 C ATOM 1613 CD GLU A 101 2.743 12.971 6.482 1.00 0.00 C ATOM 1614 OE1 GLU A 101 3.642 13.527 7.148 1.00 0.00 O ATOM 1615 OE2 GLU A 101 1.873 12.192 6.927 1.00 0.00 O ATOM 0 H GLU A 101 2.485 13.546 2.523 1.00 0.00 H new ATOM 0 HA GLU A 101 4.165 15.463 3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.442 12.460 3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.812 13.662 5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.143 14.189 4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.178 12.471 4.461 1.00 0.00 H new ATOM 1622 N LEU A 102 5.522 13.316 1.726 1.00 0.00 N ATOM 1623 CA LEU A 102 6.683 13.081 0.884 1.00 0.00 C ATOM 1624 C LEU A 102 7.100 14.395 0.220 1.00 0.00 C ATOM 1625 O LEU A 102 8.244 14.826 0.354 1.00 0.00 O ATOM 1626 CB LEU A 102 6.405 11.951 -0.110 1.00 0.00 C ATOM 1627 CG LEU A 102 6.831 10.550 0.332 1.00 0.00 C ATOM 1628 CD1 LEU A 102 6.170 10.167 1.657 1.00 0.00 C ATOM 1629 CD2 LEU A 102 6.553 9.520 -0.766 1.00 0.00 C ATOM 0 H LEU A 102 4.795 12.603 1.659 1.00 0.00 H new ATOM 0 HA LEU A 102 7.528 12.745 1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.336 11.934 -0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.911 12.185 -1.047 1.00 0.00 H new ATOM 0 HG LEU A 102 7.908 10.559 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.490 9.166 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.462 10.880 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.086 10.181 1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.865 8.533 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.486 9.506 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 102 7.109 9.787 -1.665 1.00 0.00 H new ATOM 1641 N LYS A 103 6.150 14.994 -0.482 1.00 0.00 N ATOM 1642 CA LYS A 103 6.404 16.250 -1.167 1.00 0.00 C ATOM 1643 C LYS A 103 6.617 17.356 -0.132 1.00 0.00 C ATOM 1644 O LYS A 103 7.535 18.165 -0.262 1.00 0.00 O ATOM 1645 CB LYS A 103 5.287 16.550 -2.168 1.00 0.00 C ATOM 1646 CG LYS A 103 3.945 16.730 -1.455 1.00 0.00 C ATOM 1647 CD LYS A 103 2.779 16.411 -2.392 1.00 0.00 C ATOM 1648 CE LYS A 103 1.844 17.614 -2.532 1.00 0.00 C ATOM 1649 NZ LYS A 103 2.536 18.732 -3.211 1.00 0.00 N ATOM 0 H LYS A 103 5.202 14.633 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 103 7.319 16.185 -1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.529 17.453 -2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 103 5.213 15.737 -2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.903 16.079 -0.582 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.856 17.754 -1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.162 16.128 -3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.223 15.556 -2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.958 17.329 -3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.503 17.934 -1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.832 19.400 -3.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.153 19.222 -2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 3.110 18.360 -3.994 1.00 0.00 H new