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 18 TYR OH : rot -128:sc= -1.09! USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0153 K(o=-0.015,f=-5.2!) USER MOD Single : A 23 THR OG1 : rot 150:sc= -0.0265 USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= 1.06 (180deg=0.972) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.172 K(o=0.17,f=-3.7!) USER MOD Single : A 67 SER OG : rot -43:sc= 0.649 USER MOD Single : A 70 HIS : no HD1:sc= 0.799 K(o=0.8,f=-4.3!) USER MOD Single : A 73 THR OG1 : rot -18:sc= 1.14 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -160:sc= 0 USER MOD Single : A 79 TYR OH : rot -58:sc= 0.592 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0.0927 K(o=0.093,f=-1.1) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -143:sc= -0.496 USER MOD Single : A 85 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 94 THR OG1 : rot 110:sc= 0.429 USER MOD Single : A 96 TYR OH : rot 30:sc= 0 USER MOD Single : A 97 CYS SG : rot 64:sc= 1.56 USER MOD Single : A 103 CYS SG : rot -110:sc= -2.43! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 175:sc= -0.0435 (180deg=-0.0808) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -12.572 8.043 1.369 1.00 0.00 N ATOM 131 CA ASN A 11 -12.073 7.522 2.638 1.00 0.00 C ATOM 132 C ASN A 11 -13.173 7.509 3.689 1.00 0.00 C ATOM 133 O ASN A 11 -12.905 7.334 4.879 1.00 0.00 O ATOM 134 CB ASN A 11 -10.884 8.353 3.134 1.00 0.00 C ATOM 135 CG ASN A 11 -11.233 9.806 3.376 1.00 0.00 C ATOM 136 OD1 ASN A 11 -11.673 10.187 4.464 1.00 0.00 O ATOM 137 ND2 ASN A 11 -11.035 10.625 2.367 1.00 0.00 N ATOM 0 HA ASN A 11 -11.740 6.498 2.471 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.505 7.918 4.059 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.079 8.296 2.402 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.247 11.618 2.467 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.669 10.268 1.484 1.00 0.00 H new ATOM 144 N ALA A 12 -14.405 7.680 3.250 1.00 0.00 N ATOM 145 CA ALA A 12 -15.529 7.709 4.164 1.00 0.00 C ATOM 146 C ALA A 12 -16.024 6.302 4.473 1.00 0.00 C ATOM 147 O ALA A 12 -16.268 5.500 3.564 1.00 0.00 O ATOM 148 CB ALA A 12 -16.655 8.556 3.592 1.00 0.00 C ATOM 0 H ALA A 12 -14.652 7.801 2.268 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.192 8.158 5.098 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.492 8.568 4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.300 9.574 3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -16.981 8.134 2.642 1.00 0.00 H new ATOM 154 N VAL A 13 -16.177 6.010 5.751 1.00 0.00 N ATOM 155 CA VAL A 13 -16.669 4.714 6.183 1.00 0.00 C ATOM 156 C VAL A 13 -17.999 4.869 6.893 1.00 0.00 C ATOM 157 O VAL A 13 -18.304 5.938 7.443 1.00 0.00 O ATOM 158 CB VAL A 13 -15.669 3.992 7.135 1.00 0.00 C ATOM 159 CG1 VAL A 13 -14.363 3.685 6.424 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.414 4.815 8.391 1.00 0.00 C ATOM 0 H VAL A 13 -15.967 6.656 6.512 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.787 4.105 5.287 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.123 3.048 7.435 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.684 3.181 7.112 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.558 3.039 5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.908 4.614 6.081 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.713 4.286 9.036 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.994 5.782 8.113 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.353 4.967 8.923 1.00 0.00 H new ATOM 170 N VAL A 14 -18.792 3.824 6.865 1.00 0.00 N ATOM 171 CA VAL A 14 -20.070 3.823 7.532 1.00 0.00 C ATOM 172 C VAL A 14 -20.021 2.860 8.700 1.00 0.00 C ATOM 173 O VAL A 14 -19.799 1.660 8.516 1.00 0.00 O ATOM 174 CB VAL A 14 -21.216 3.406 6.573 1.00 0.00 C ATOM 175 CG1 VAL A 14 -22.560 3.443 7.287 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.235 4.300 5.341 1.00 0.00 C ATOM 0 H VAL A 14 -18.570 2.954 6.381 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.272 4.836 7.879 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.034 2.381 6.250 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.348 3.147 6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.542 2.755 8.132 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -22.754 4.454 7.646 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.045 3.992 4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.388 5.335 5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.285 4.214 4.814 1.00 0.00 H new ATOM 186 N VAL A 15 -20.207 3.381 9.893 1.00 0.00 N ATOM 187 CA VAL A 15 -20.183 2.559 11.082 1.00 0.00 C ATOM 188 C VAL A 15 -21.569 2.525 11.703 1.00 0.00 C ATOM 189 O VAL A 15 -22.198 3.569 11.898 1.00 0.00 O ATOM 190 CB VAL A 15 -19.165 3.085 12.125 1.00 0.00 C ATOM 191 CG1 VAL A 15 -18.826 2.000 13.142 1.00 0.00 C ATOM 192 CG2 VAL A 15 -17.898 3.588 11.439 1.00 0.00 C ATOM 0 H VAL A 15 -20.377 4.372 10.065 1.00 0.00 H new ATOM 0 HA VAL A 15 -19.875 1.556 10.788 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.623 3.921 12.653 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.110 2.390 13.865 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -19.734 1.691 13.661 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.392 1.142 12.628 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.198 3.953 12.190 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.439 2.773 10.880 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -18.151 4.399 10.756 1.00 0.00 H new ATOM 202 N PHE A 16 -22.046 1.334 11.999 1.00 0.00 N ATOM 203 CA PHE A 16 -23.373 1.155 12.567 1.00 0.00 C ATOM 204 C PHE A 16 -23.380 0.011 13.570 1.00 0.00 C ATOM 205 O PHE A 16 -22.411 -0.737 13.667 1.00 0.00 O ATOM 206 CB PHE A 16 -24.409 0.908 11.449 1.00 0.00 C ATOM 207 CG PHE A 16 -24.092 -0.262 10.551 1.00 0.00 C ATOM 208 CD1 PHE A 16 -23.287 -0.095 9.434 1.00 0.00 C ATOM 209 CD2 PHE A 16 -24.596 -1.524 10.823 1.00 0.00 C ATOM 210 CE1 PHE A 16 -22.993 -1.159 8.607 1.00 0.00 C ATOM 211 CE2 PHE A 16 -24.304 -2.594 9.999 1.00 0.00 C ATOM 212 CZ PHE A 16 -23.501 -2.411 8.890 1.00 0.00 C ATOM 0 H PHE A 16 -21.531 0.465 11.855 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.647 2.069 13.094 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -25.386 0.746 11.905 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.488 1.808 10.839 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -22.885 0.882 9.209 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -25.224 -1.673 11.689 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -22.366 -1.013 7.740 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -24.703 -3.572 10.222 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.271 -3.246 8.245 1.00 0.00 H new ATOM 222 N GLY A 17 -24.463 -0.117 14.320 1.00 0.00 N ATOM 223 CA GLY A 17 -24.557 -1.192 15.298 1.00 0.00 C ATOM 224 C GLY A 17 -24.338 -0.715 16.721 1.00 0.00 C ATOM 225 O GLY A 17 -24.034 -1.508 17.607 1.00 0.00 O ATOM 0 H GLY A 17 -25.276 0.497 14.274 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.539 -1.659 15.224 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.820 -1.959 15.060 1.00 0.00 H new ATOM 229 N TYR A 18 -24.495 0.575 16.934 1.00 0.00 N ATOM 230 CA TYR A 18 -24.335 1.172 18.255 1.00 0.00 C ATOM 231 C TYR A 18 -25.450 2.157 18.527 1.00 0.00 C ATOM 232 O TYR A 18 -26.080 2.656 17.600 1.00 0.00 O ATOM 233 CB TYR A 18 -22.970 1.859 18.378 1.00 0.00 C ATOM 234 CG TYR A 18 -22.623 2.756 17.214 1.00 0.00 C ATOM 235 CD1 TYR A 18 -23.149 4.037 17.103 1.00 0.00 C ATOM 236 CD2 TYR A 18 -21.764 2.316 16.225 1.00 0.00 C ATOM 237 CE1 TYR A 18 -22.823 4.846 16.036 1.00 0.00 C ATOM 238 CE2 TYR A 18 -21.436 3.120 15.164 1.00 0.00 C ATOM 239 CZ TYR A 18 -21.967 4.379 15.072 1.00 0.00 C ATOM 240 OH TYR A 18 -21.637 5.176 14.013 1.00 0.00 O ATOM 0 H TYR A 18 -24.737 1.243 16.202 1.00 0.00 H new ATOM 0 HA TYR A 18 -24.385 0.377 18.999 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -22.954 2.449 19.295 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -22.199 1.095 18.477 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -23.823 4.404 17.863 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -21.344 1.323 16.289 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -23.238 5.840 15.960 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -20.760 2.761 14.402 1.00 0.00 H new ATOM 0 HH TYR A 18 -21.785 4.687 13.177 1.00 0.00 H new ATOM 250 N ARG A 19 -25.695 2.438 19.791 1.00 0.00 N ATOM 251 CA ARG A 19 -26.748 3.349 20.167 1.00 0.00 C ATOM 252 C ARG A 19 -26.153 4.706 20.534 1.00 0.00 C ATOM 253 O ARG A 19 -24.977 4.802 20.884 1.00 0.00 O ATOM 254 CB ARG A 19 -27.567 2.756 21.317 1.00 0.00 C ATOM 255 CG ARG A 19 -28.893 3.454 21.566 1.00 0.00 C ATOM 256 CD ARG A 19 -29.702 2.734 22.636 1.00 0.00 C ATOM 257 NE ARG A 19 -29.927 1.317 22.293 1.00 0.00 N ATOM 258 CZ ARG A 19 -30.985 0.847 21.613 1.00 0.00 C ATOM 259 NH1 ARG A 19 -31.961 1.669 21.237 1.00 0.00 N ATOM 260 NH2 ARG A 19 -31.064 -0.452 21.322 1.00 0.00 N ATOM 0 H ARG A 19 -25.175 2.045 20.575 1.00 0.00 H new ATOM 0 HA ARG A 19 -27.423 3.499 19.324 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -27.758 1.704 21.107 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -26.972 2.796 22.229 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -28.713 4.484 21.874 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -29.465 3.494 20.639 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -29.180 2.798 23.591 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -30.662 3.234 22.763 1.00 0.00 H new ATOM 0 HE ARG A 19 -29.225 0.642 22.596 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -31.908 2.662 21.465 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -32.762 1.307 20.721 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -30.321 -1.087 21.616 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -31.867 -0.811 20.806 1.00 0.00 H new ATOM 274 N GLU A 20 -26.972 5.739 20.467 1.00 0.00 N ATOM 275 CA GLU A 20 -26.536 7.122 20.686 1.00 0.00 C ATOM 276 C GLU A 20 -26.115 7.372 22.160 1.00 0.00 C ATOM 277 O GLU A 20 -25.627 8.445 22.498 1.00 0.00 O ATOM 278 CB GLU A 20 -27.684 8.059 20.289 1.00 0.00 C ATOM 279 CG GLU A 20 -27.330 9.539 20.166 1.00 0.00 C ATOM 280 CD GLU A 20 -28.536 10.358 19.762 1.00 0.00 C ATOM 281 OE1 GLU A 20 -29.064 10.134 18.651 1.00 0.00 O ATOM 282 OE2 GLU A 20 -28.985 11.199 20.562 1.00 0.00 O ATOM 0 H GLU A 20 -27.966 5.651 20.258 1.00 0.00 H new ATOM 0 HA GLU A 20 -25.657 7.316 20.072 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -28.087 7.722 19.334 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -28.481 7.957 21.026 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -26.942 9.903 21.117 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -26.537 9.666 19.429 1.00 0.00 H new ATOM 289 N ALA A 21 -26.287 6.364 23.013 1.00 0.00 N ATOM 290 CA ALA A 21 -25.994 6.503 24.441 1.00 0.00 C ATOM 291 C ALA A 21 -24.563 6.077 24.815 1.00 0.00 C ATOM 292 O ALA A 21 -24.092 6.386 25.913 1.00 0.00 O ATOM 293 CB ALA A 21 -26.999 5.704 25.253 1.00 0.00 C ATOM 0 H ALA A 21 -26.628 5.442 22.742 1.00 0.00 H new ATOM 0 HA ALA A 21 -26.074 7.565 24.675 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.776 5.811 26.315 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -28.005 6.075 25.054 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.938 4.652 24.974 1.00 0.00 H new ATOM 299 N ILE A 22 -23.865 5.387 23.912 1.00 0.00 N ATOM 300 CA ILE A 22 -22.505 4.892 24.223 1.00 0.00 C ATOM 301 C ILE A 22 -21.423 5.801 23.641 1.00 0.00 C ATOM 302 O ILE A 22 -20.317 5.339 23.334 1.00 0.00 O ATOM 303 CB ILE A 22 -22.259 3.459 23.673 1.00 0.00 C ATOM 304 CG1 ILE A 22 -22.316 3.452 22.137 1.00 0.00 C ATOM 305 CG2 ILE A 22 -23.267 2.481 24.255 1.00 0.00 C ATOM 306 CD1 ILE A 22 -21.564 2.300 21.503 1.00 0.00 C ATOM 0 H ILE A 22 -24.201 5.157 22.977 1.00 0.00 H new ATOM 0 HA ILE A 22 -22.445 4.884 25.311 1.00 0.00 H new ATOM 0 HB ILE A 22 -21.262 3.141 23.978 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -23.359 3.411 21.822 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -21.907 4.391 21.763 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -23.078 1.484 23.858 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -23.172 2.463 25.341 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -24.275 2.794 23.985 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.650 2.363 20.418 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -20.513 2.351 21.787 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -21.987 1.356 21.847 1.00 0.00 H new ATOM 318 N THR A 23 -21.710 7.091 23.541 1.00 0.00 N ATOM 319 CA THR A 23 -20.806 8.011 22.870 1.00 0.00 C ATOM 320 C THR A 23 -19.427 8.062 23.534 1.00 0.00 C ATOM 321 O THR A 23 -18.412 7.875 22.874 1.00 0.00 O ATOM 322 CB THR A 23 -21.364 9.432 22.873 1.00 0.00 C ATOM 323 OG1 THR A 23 -22.753 9.423 22.521 1.00 0.00 O ATOM 324 CG2 THR A 23 -20.596 10.282 21.882 1.00 0.00 C ATOM 0 H THR A 23 -22.556 7.521 23.914 1.00 0.00 H new ATOM 0 HA THR A 23 -20.707 7.635 21.852 1.00 0.00 H new ATOM 0 HB THR A 23 -21.257 9.849 23.874 1.00 0.00 H new ATOM 0 HG1 THR A 23 -23.207 10.171 22.962 1.00 0.00 H new ATOM 0 HG21 THR A 23 -20.996 11.296 21.886 1.00 0.00 H new ATOM 0 HG22 THR A 23 -19.543 10.306 22.163 1.00 0.00 H new ATOM 0 HG23 THR A 23 -20.696 9.856 20.884 1.00 0.00 H new ATOM 332 N LYS A 24 -19.407 8.288 24.839 1.00 0.00 N ATOM 333 CA LYS A 24 -18.166 8.414 25.578 1.00 0.00 C ATOM 334 C LYS A 24 -17.377 7.108 25.532 1.00 0.00 C ATOM 335 O LYS A 24 -16.155 7.107 25.366 1.00 0.00 O ATOM 336 CB LYS A 24 -18.466 8.771 27.038 1.00 0.00 C ATOM 337 CG LYS A 24 -19.606 9.768 27.224 1.00 0.00 C ATOM 338 CD LYS A 24 -19.363 11.087 26.519 1.00 0.00 C ATOM 339 CE LYS A 24 -20.507 12.046 26.787 1.00 0.00 C ATOM 340 NZ LYS A 24 -20.286 13.353 26.148 1.00 0.00 N ATOM 0 H LYS A 24 -20.246 8.388 25.410 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.571 9.203 25.119 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -18.708 7.857 27.580 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -17.564 9.181 27.491 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -20.530 9.328 26.850 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -19.749 9.953 28.289 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.425 11.524 26.863 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -19.263 10.921 25.446 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -21.437 11.614 26.418 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -20.623 12.182 27.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -21.132 13.946 26.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.470 13.822 26.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -20.100 13.217 25.134 1.00 0.00 H new ATOM 354 N GLN A 25 -18.093 5.996 25.662 1.00 0.00 N ATOM 355 CA GLN A 25 -17.473 4.674 25.695 1.00 0.00 C ATOM 356 C GLN A 25 -16.750 4.359 24.395 1.00 0.00 C ATOM 357 O GLN A 25 -15.546 4.088 24.388 1.00 0.00 O ATOM 358 CB GLN A 25 -18.537 3.609 25.936 1.00 0.00 C ATOM 359 CG GLN A 25 -19.209 3.702 27.284 1.00 0.00 C ATOM 360 CD GLN A 25 -20.280 2.646 27.467 1.00 0.00 C ATOM 361 OE1 GLN A 25 -20.166 1.534 26.961 1.00 0.00 O ATOM 362 NE2 GLN A 25 -21.326 2.987 28.185 1.00 0.00 N ATOM 0 H GLN A 25 -19.109 5.984 25.747 1.00 0.00 H new ATOM 0 HA GLN A 25 -16.744 4.675 26.506 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.296 3.687 25.158 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.079 2.625 25.838 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.460 3.596 28.069 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.653 4.691 27.398 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.384 3.922 28.589 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.080 2.317 28.338 1.00 0.00 H new ATOM 371 N ILE A 26 -17.480 4.417 23.301 1.00 0.00 N ATOM 372 CA ILE A 26 -16.942 4.077 22.011 1.00 0.00 C ATOM 373 C ILE A 26 -15.907 5.105 21.532 1.00 0.00 C ATOM 374 O ILE A 26 -14.958 4.758 20.825 1.00 0.00 O ATOM 375 CB ILE A 26 -18.078 3.883 20.974 1.00 0.00 C ATOM 376 CG1 ILE A 26 -17.620 2.957 19.862 1.00 0.00 C ATOM 377 CG2 ILE A 26 -18.558 5.217 20.404 1.00 0.00 C ATOM 378 CD1 ILE A 26 -18.746 2.425 19.014 1.00 0.00 C ATOM 0 H ILE A 26 -18.460 4.701 23.286 1.00 0.00 H new ATOM 0 HA ILE A 26 -16.416 3.128 22.113 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.925 3.427 21.487 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.917 3.491 19.223 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -17.079 2.118 20.300 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -19.354 5.038 19.681 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.935 5.843 21.212 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.727 5.722 19.911 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -18.342 1.771 18.241 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -19.438 1.862 19.640 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -19.274 3.256 18.547 1.00 0.00 H new ATOM 390 N LEU A 27 -16.085 6.362 21.941 1.00 0.00 N ATOM 391 CA LEU A 27 -15.165 7.426 21.561 1.00 0.00 C ATOM 392 C LEU A 27 -13.767 7.157 22.098 1.00 0.00 C ATOM 393 O LEU A 27 -12.804 7.262 21.379 1.00 0.00 O ATOM 394 CB LEU A 27 -15.664 8.779 22.073 1.00 0.00 C ATOM 395 CG LEU A 27 -14.764 9.974 21.767 1.00 0.00 C ATOM 396 CD1 LEU A 27 -14.742 10.260 20.274 1.00 0.00 C ATOM 397 CD2 LEU A 27 -15.214 11.197 22.547 1.00 0.00 C ATOM 0 H LEU A 27 -16.858 6.664 22.534 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.121 7.452 20.472 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.648 8.969 21.644 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.795 8.713 23.153 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.749 9.728 22.079 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.095 11.115 20.077 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.363 9.388 19.742 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.752 10.483 19.931 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.560 12.037 22.315 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.238 11.448 22.272 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.167 10.985 23.615 1.00 0.00 H new ATOM 409 N ALA A 28 -13.681 6.764 23.359 1.00 0.00 N ATOM 410 CA ALA A 28 -12.399 6.474 23.998 1.00 0.00 C ATOM 411 C ALA A 28 -11.677 5.316 23.308 1.00 0.00 C ATOM 412 O ALA A 28 -10.456 5.175 23.413 1.00 0.00 O ATOM 413 CB ALA A 28 -12.601 6.166 25.474 1.00 0.00 C ATOM 0 H ALA A 28 -14.489 6.637 23.968 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.772 7.361 23.903 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.637 5.952 25.936 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.057 7.025 25.966 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.254 5.300 25.579 1.00 0.00 H new ATOM 419 N TYR A 29 -12.435 4.483 22.618 1.00 0.00 N ATOM 420 CA TYR A 29 -11.877 3.328 21.931 1.00 0.00 C ATOM 421 C TYR A 29 -11.387 3.689 20.511 1.00 0.00 C ATOM 422 O TYR A 29 -10.285 3.329 20.120 1.00 0.00 O ATOM 423 CB TYR A 29 -12.925 2.202 21.858 1.00 0.00 C ATOM 424 CG TYR A 29 -12.400 0.903 21.275 1.00 0.00 C ATOM 425 CD1 TYR A 29 -12.352 0.709 19.903 1.00 0.00 C ATOM 426 CD2 TYR A 29 -11.951 -0.123 22.099 1.00 0.00 C ATOM 427 CE1 TYR A 29 -11.876 -0.463 19.363 1.00 0.00 C ATOM 428 CE2 TYR A 29 -11.472 -1.303 21.567 1.00 0.00 C ATOM 429 CZ TYR A 29 -11.435 -1.470 20.199 1.00 0.00 C ATOM 430 OH TYR A 29 -10.953 -2.644 19.664 1.00 0.00 O ATOM 0 H TYR A 29 -13.445 4.584 22.517 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.014 2.986 22.502 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -13.306 2.010 22.861 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.768 2.543 21.257 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -12.695 1.494 19.245 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.977 0.005 23.171 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -11.847 -0.595 18.291 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.128 -2.092 22.219 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.683 -3.247 20.388 1.00 0.00 H new ATOM 440 N PHE A 30 -12.211 4.401 19.764 1.00 0.00 N ATOM 441 CA PHE A 30 -11.904 4.730 18.364 1.00 0.00 C ATOM 442 C PHE A 30 -11.225 6.085 18.187 1.00 0.00 C ATOM 443 O PHE A 30 -10.838 6.432 17.084 1.00 0.00 O ATOM 444 CB PHE A 30 -13.161 4.666 17.510 1.00 0.00 C ATOM 445 CG PHE A 30 -13.631 3.269 17.242 1.00 0.00 C ATOM 446 CD1 PHE A 30 -13.148 2.565 16.152 1.00 0.00 C ATOM 447 CD2 PHE A 30 -14.553 2.660 18.075 1.00 0.00 C ATOM 448 CE1 PHE A 30 -13.578 1.282 15.897 1.00 0.00 C ATOM 449 CE2 PHE A 30 -14.985 1.376 17.824 1.00 0.00 C ATOM 450 CZ PHE A 30 -14.497 0.687 16.734 1.00 0.00 C ATOM 0 H PHE A 30 -13.103 4.768 20.095 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.190 3.977 18.032 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.957 5.220 18.008 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.971 5.165 16.560 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.426 3.027 15.495 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.938 3.196 18.930 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -13.196 0.743 15.043 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -15.705 0.910 18.480 1.00 0.00 H new ATOM 0 HZ PHE A 30 -14.835 -0.319 16.536 1.00 0.00 H new ATOM 460 N ALA A 31 -11.088 6.831 19.270 1.00 0.00 N ATOM 461 CA ALA A 31 -10.554 8.213 19.246 1.00 0.00 C ATOM 462 C ALA A 31 -9.253 8.367 18.447 1.00 0.00 C ATOM 463 O ALA A 31 -8.971 9.448 17.929 1.00 0.00 O ATOM 464 CB ALA A 31 -10.345 8.709 20.656 1.00 0.00 C ATOM 0 H ALA A 31 -11.341 6.508 20.204 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.303 8.816 18.732 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.952 9.725 20.630 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.296 8.701 21.189 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.636 8.059 21.169 1.00 0.00 H new ATOM 470 N GLN A 32 -8.475 7.306 18.353 1.00 0.00 N ATOM 471 CA GLN A 32 -7.222 7.332 17.600 1.00 0.00 C ATOM 472 C GLN A 32 -7.483 7.630 16.126 1.00 0.00 C ATOM 473 O GLN A 32 -6.652 8.227 15.441 1.00 0.00 O ATOM 474 CB GLN A 32 -6.482 5.991 17.720 1.00 0.00 C ATOM 475 CG GLN A 32 -5.859 5.723 19.095 1.00 0.00 C ATOM 476 CD GLN A 32 -6.882 5.557 20.208 1.00 0.00 C ATOM 477 OE1 GLN A 32 -7.995 5.088 19.983 1.00 0.00 O ATOM 478 NE2 GLN A 32 -6.509 5.942 21.415 1.00 0.00 N ATOM 0 H GLN A 32 -8.684 6.408 18.789 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.601 8.122 18.023 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.179 5.185 17.489 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.695 5.957 16.967 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.248 4.822 19.038 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.191 6.546 19.348 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.576 6.327 21.562 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.154 5.855 22.200 1.00 0.00 H new ATOM 487 N PHE A 33 -8.639 7.203 15.648 1.00 0.00 N ATOM 488 CA PHE A 33 -9.008 7.373 14.259 1.00 0.00 C ATOM 489 C PHE A 33 -10.531 7.286 14.067 1.00 0.00 C ATOM 490 O PHE A 33 -11.014 6.510 13.249 1.00 0.00 O ATOM 491 CB PHE A 33 -8.292 6.321 13.385 1.00 0.00 C ATOM 492 CG PHE A 33 -8.262 4.929 13.981 1.00 0.00 C ATOM 493 CD1 PHE A 33 -9.367 4.100 13.910 1.00 0.00 C ATOM 494 CD2 PHE A 33 -7.119 4.457 14.603 1.00 0.00 C ATOM 495 CE1 PHE A 33 -9.338 2.830 14.450 1.00 0.00 C ATOM 496 CE2 PHE A 33 -7.082 3.189 15.145 1.00 0.00 C ATOM 497 CZ PHE A 33 -8.192 2.373 15.067 1.00 0.00 C ATOM 0 H PHE A 33 -9.345 6.730 16.213 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.692 8.368 13.946 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.785 6.277 12.414 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.268 6.650 13.208 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.266 4.452 13.425 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.246 5.089 14.665 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.210 2.196 14.390 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.184 2.835 15.630 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.164 1.379 15.488 1.00 0.00 H new ATOM 507 N GLY A 34 -11.285 8.089 14.824 1.00 0.00 N ATOM 508 CA GLY A 34 -12.737 8.063 14.687 1.00 0.00 C ATOM 509 C GLY A 34 -13.456 9.072 15.572 1.00 0.00 C ATOM 510 O GLY A 34 -13.277 9.082 16.790 1.00 0.00 O ATOM 0 H GLY A 34 -10.925 8.745 15.517 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.998 8.256 13.646 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.097 7.062 14.926 1.00 0.00 H new ATOM 514 N GLU A 35 -14.269 9.920 14.946 1.00 0.00 N ATOM 515 CA GLU A 35 -15.091 10.906 15.658 1.00 0.00 C ATOM 516 C GLU A 35 -16.509 10.377 15.703 1.00 0.00 C ATOM 517 O GLU A 35 -17.297 10.613 14.795 1.00 0.00 O ATOM 518 CB GLU A 35 -15.046 12.255 14.918 1.00 0.00 C ATOM 519 CG GLU A 35 -15.749 13.416 15.624 1.00 0.00 C ATOM 520 CD GLU A 35 -15.605 14.738 14.861 1.00 0.00 C ATOM 521 OE1 GLU A 35 -15.167 14.712 13.691 1.00 0.00 O ATOM 522 OE2 GLU A 35 -15.937 15.807 15.427 1.00 0.00 O ATOM 0 H GLU A 35 -14.379 9.946 13.932 1.00 0.00 H new ATOM 0 HA GLU A 35 -14.716 11.062 16.669 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.003 12.528 14.758 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.496 12.125 13.934 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -16.807 13.180 15.740 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.336 13.531 16.626 1.00 0.00 H new ATOM 529 N ILE A 36 -16.821 9.634 16.737 1.00 0.00 N ATOM 530 CA ILE A 36 -18.088 8.946 16.782 1.00 0.00 C ATOM 531 C ILE A 36 -19.154 9.773 17.470 1.00 0.00 C ATOM 532 O ILE A 36 -18.963 10.248 18.596 1.00 0.00 O ATOM 533 CB ILE A 36 -17.990 7.568 17.485 1.00 0.00 C ATOM 534 CG1 ILE A 36 -16.533 7.085 17.573 1.00 0.00 C ATOM 535 CG2 ILE A 36 -18.817 6.554 16.714 1.00 0.00 C ATOM 536 CD1 ILE A 36 -15.930 6.702 16.239 1.00 0.00 C ATOM 0 H ILE A 36 -16.222 9.491 17.550 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.370 8.787 15.741 1.00 0.00 H new ATOM 0 HB ILE A 36 -18.372 7.672 18.501 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.927 7.872 18.022 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.486 6.226 18.242 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.751 5.583 17.204 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.857 6.878 16.688 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.436 6.473 15.696 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -14.901 6.372 16.386 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.511 5.893 15.796 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.943 7.565 15.573 1.00 0.00 H new ATOM 548 N LEU A 37 -20.284 9.925 16.787 1.00 0.00 N ATOM 549 CA LEU A 37 -21.438 10.646 17.309 1.00 0.00 C ATOM 550 C LEU A 37 -21.140 12.132 17.524 1.00 0.00 C ATOM 551 O LEU A 37 -20.120 12.648 17.074 1.00 0.00 O ATOM 552 CB LEU A 37 -21.969 9.988 18.594 1.00 0.00 C ATOM 553 CG LEU A 37 -22.805 8.710 18.415 1.00 0.00 C ATOM 554 CD1 LEU A 37 -21.990 7.605 17.787 1.00 0.00 C ATOM 555 CD2 LEU A 37 -23.357 8.249 19.740 1.00 0.00 C ATOM 0 H LEU A 37 -20.425 9.549 15.850 1.00 0.00 H new ATOM 0 HA LEU A 37 -22.222 10.587 16.554 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -21.118 9.752 19.233 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.575 10.720 19.127 1.00 0.00 H new ATOM 0 HG LEU A 37 -23.632 8.948 17.747 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -22.609 6.715 17.674 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -21.634 7.926 16.808 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -21.137 7.374 18.425 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -23.946 7.343 19.594 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -22.534 8.040 20.424 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -23.990 9.029 20.162 1.00 0.00 H new ATOM 567 N GLU A 38 -22.046 12.818 18.195 1.00 0.00 N ATOM 568 CA GLU A 38 -21.946 14.255 18.343 1.00 0.00 C ATOM 569 C GLU A 38 -21.957 14.693 19.816 1.00 0.00 C ATOM 570 O GLU A 38 -22.186 15.864 20.119 1.00 0.00 O ATOM 571 CB GLU A 38 -23.114 14.878 17.607 1.00 0.00 C ATOM 572 CG GLU A 38 -23.051 14.673 16.101 1.00 0.00 C ATOM 573 CD GLU A 38 -24.302 15.121 15.405 1.00 0.00 C ATOM 574 OE1 GLU A 38 -24.571 16.340 15.373 1.00 0.00 O ATOM 575 OE2 GLU A 38 -25.031 14.252 14.879 1.00 0.00 O ATOM 0 H GLU A 38 -22.860 12.401 18.646 1.00 0.00 H new ATOM 0 HA GLU A 38 -20.995 14.587 17.927 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -24.043 14.453 17.987 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -23.142 15.946 17.821 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -22.199 15.222 15.699 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -22.879 13.618 15.889 1.00 0.00 H new ATOM 582 N ASP A 39 -21.713 13.763 20.725 1.00 0.00 N ATOM 583 CA ASP A 39 -21.695 14.090 22.155 1.00 0.00 C ATOM 584 C ASP A 39 -20.343 13.742 22.770 1.00 0.00 C ATOM 585 O ASP A 39 -20.173 12.708 23.410 1.00 0.00 O ATOM 586 CB ASP A 39 -22.844 13.389 22.896 1.00 0.00 C ATOM 587 CG ASP A 39 -22.793 13.587 24.402 1.00 0.00 C ATOM 588 OD1 ASP A 39 -22.338 14.650 24.857 1.00 0.00 O ATOM 589 OD2 ASP A 39 -23.182 12.657 25.135 1.00 0.00 O ATOM 0 H ASP A 39 -21.526 12.784 20.509 1.00 0.00 H new ATOM 0 HA ASP A 39 -21.844 15.165 22.261 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.795 13.765 22.518 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -22.813 12.322 22.675 1.00 0.00 H new ATOM 594 N LEU A 40 -19.396 14.620 22.582 1.00 0.00 N ATOM 595 CA LEU A 40 -18.037 14.398 23.026 1.00 0.00 C ATOM 596 C LEU A 40 -17.853 14.872 24.467 1.00 0.00 C ATOM 597 O LEU A 40 -17.699 14.065 25.380 1.00 0.00 O ATOM 598 CB LEU A 40 -17.073 15.133 22.088 1.00 0.00 C ATOM 599 CG LEU A 40 -17.225 14.807 20.594 1.00 0.00 C ATOM 600 CD1 LEU A 40 -16.258 15.624 19.771 1.00 0.00 C ATOM 601 CD2 LEU A 40 -17.028 13.317 20.330 1.00 0.00 C ATOM 0 H LEU A 40 -19.541 15.515 22.115 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.822 13.330 22.999 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -17.209 16.206 22.223 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -16.052 14.901 22.390 1.00 0.00 H new ATOM 0 HG LEU A 40 -18.241 15.068 20.297 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.381 15.379 18.716 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -16.457 16.685 19.923 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -15.237 15.399 20.079 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -17.142 13.118 19.264 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.029 13.020 20.650 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.772 12.747 20.887 1.00 0.00 H new ATOM 1035 N SER A 67 -19.933 16.844 11.521 1.00 0.00 N ATOM 1036 CA SER A 67 -20.937 17.495 10.664 1.00 0.00 C ATOM 1037 C SER A 67 -21.383 16.628 9.445 1.00 0.00 C ATOM 1038 O SER A 67 -21.895 17.156 8.450 1.00 0.00 O ATOM 1039 CB SER A 67 -20.391 18.858 10.192 1.00 0.00 C ATOM 1040 OG SER A 67 -21.394 19.626 9.541 1.00 0.00 O ATOM 0 HA SER A 67 -21.834 17.631 11.268 1.00 0.00 H new ATOM 0 HB2 SER A 67 -20.006 19.412 11.048 1.00 0.00 H new ATOM 0 HB3 SER A 67 -19.554 18.700 9.512 1.00 0.00 H new ATOM 0 HG SER A 67 -21.911 19.048 8.942 1.00 0.00 H new ATOM 1046 N ARG A 68 -21.200 15.324 9.529 1.00 0.00 N ATOM 1047 CA ARG A 68 -21.606 14.437 8.453 1.00 0.00 C ATOM 1048 C ARG A 68 -23.074 14.101 8.565 1.00 0.00 C ATOM 1049 O ARG A 68 -23.620 14.032 9.668 1.00 0.00 O ATOM 1050 CB ARG A 68 -20.751 13.160 8.430 1.00 0.00 C ATOM 1051 CG ARG A 68 -19.637 13.195 7.390 1.00 0.00 C ATOM 1052 CD ARG A 68 -18.653 14.310 7.660 1.00 0.00 C ATOM 1053 NE ARG A 68 -17.713 14.496 6.563 1.00 0.00 N ATOM 1054 CZ ARG A 68 -16.797 15.465 6.516 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -16.648 16.305 7.545 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -16.029 15.595 5.443 1.00 0.00 N ATOM 0 H ARG A 68 -20.774 14.855 10.329 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.445 14.959 7.510 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -20.312 13.008 9.416 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -21.396 12.304 8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -19.112 12.240 7.387 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -20.070 13.324 6.398 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.198 15.239 7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -18.102 14.091 8.575 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.758 13.843 5.780 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -17.236 16.207 8.372 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.946 17.044 7.503 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.139 14.955 4.656 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.328 16.335 5.404 1.00 0.00 H new ATOM 1070 N GLU A 69 -23.719 13.906 7.429 1.00 0.00 N ATOM 1071 CA GLU A 69 -25.121 13.574 7.427 1.00 0.00 C ATOM 1072 C GLU A 69 -25.316 12.128 7.839 1.00 0.00 C ATOM 1073 O GLU A 69 -24.929 11.199 7.124 1.00 0.00 O ATOM 1074 CB GLU A 69 -25.750 13.836 6.056 1.00 0.00 C ATOM 1075 CG GLU A 69 -27.244 13.557 6.008 1.00 0.00 C ATOM 1076 CD GLU A 69 -27.863 13.939 4.686 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -28.120 15.140 4.472 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -28.106 13.046 3.857 1.00 0.00 O ATOM 0 H GLU A 69 -23.293 13.973 6.505 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.625 14.215 8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -25.574 14.875 5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -25.249 13.217 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -27.418 12.497 6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -27.739 14.107 6.809 1.00 0.00 H new ATOM 1085 N HIS A 70 -25.894 11.949 9.002 1.00 0.00 N ATOM 1086 CA HIS A 70 -26.148 10.637 9.541 1.00 0.00 C ATOM 1087 C HIS A 70 -27.393 10.658 10.392 1.00 0.00 C ATOM 1088 O HIS A 70 -27.914 11.725 10.720 1.00 0.00 O ATOM 1089 CB HIS A 70 -24.946 10.124 10.368 1.00 0.00 C ATOM 1090 CG HIS A 70 -24.532 11.025 11.505 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -23.339 11.707 11.523 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -25.164 11.356 12.661 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -23.254 12.415 12.635 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -24.347 12.223 13.340 1.00 0.00 N ATOM 0 H HIS A 70 -26.202 12.713 9.603 1.00 0.00 H new ATOM 0 HA HIS A 70 -26.296 9.953 8.705 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -25.193 9.142 10.772 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -24.095 9.989 9.701 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -26.131 11.002 12.985 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -22.425 13.046 12.918 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -24.553 12.649 14.244 1.00 0.00 H new ATOM 1102 N GLY A 71 -27.867 9.491 10.729 1.00 0.00 N ATOM 1103 CA GLY A 71 -29.021 9.381 11.574 1.00 0.00 C ATOM 1104 C GLY A 71 -28.642 8.828 12.914 1.00 0.00 C ATOM 1105 O GLY A 71 -27.591 9.175 13.454 1.00 0.00 O ATOM 0 H GLY A 71 -27.470 8.600 10.430 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -29.484 10.360 11.696 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -29.762 8.735 11.104 1.00 0.00 H new ATOM 1109 N ARG A 72 -29.466 7.976 13.456 1.00 0.00 N ATOM 1110 CA ARG A 72 -29.166 7.367 14.720 1.00 0.00 C ATOM 1111 C ARG A 72 -28.725 5.937 14.482 1.00 0.00 C ATOM 1112 O ARG A 72 -29.187 5.311 13.547 1.00 0.00 O ATOM 1113 CB ARG A 72 -30.374 7.411 15.653 1.00 0.00 C ATOM 1114 CG ARG A 72 -30.913 8.813 15.870 1.00 0.00 C ATOM 1115 CD ARG A 72 -31.979 8.841 16.944 1.00 0.00 C ATOM 1116 NE ARG A 72 -31.389 8.735 18.280 1.00 0.00 N ATOM 1117 CZ ARG A 72 -31.976 8.163 19.333 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -33.172 7.599 19.215 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -31.363 8.152 20.505 1.00 0.00 N ATOM 0 H ARG A 72 -30.352 7.687 13.041 1.00 0.00 H new ATOM 0 HA ARG A 72 -28.363 7.923 15.204 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -31.165 6.784 15.242 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -30.097 6.983 16.616 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -30.096 9.478 16.150 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -31.327 9.193 14.936 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -32.550 9.766 16.869 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -32.679 8.020 16.787 1.00 0.00 H new ATOM 0 HE ARG A 72 -30.458 9.129 18.416 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -33.650 7.601 18.314 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -33.613 7.164 20.025 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -30.443 8.580 20.603 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -31.811 7.715 21.311 1.00 0.00 H new ATOM 1133 N THR A 73 -27.807 5.458 15.312 1.00 0.00 N ATOM 1134 CA THR A 73 -27.222 4.091 15.229 1.00 0.00 C ATOM 1135 C THR A 73 -26.254 3.915 14.038 1.00 0.00 C ATOM 1136 O THR A 73 -25.530 2.919 13.967 1.00 0.00 O ATOM 1137 CB THR A 73 -28.279 2.922 15.265 1.00 0.00 C ATOM 1138 OG1 THR A 73 -29.061 2.868 14.066 1.00 0.00 O ATOM 1139 CG2 THR A 73 -29.203 3.072 16.469 1.00 0.00 C ATOM 0 H THR A 73 -27.429 6.007 16.084 1.00 0.00 H new ATOM 0 HA THR A 73 -26.642 4.008 16.148 1.00 0.00 H new ATOM 0 HB THR A 73 -27.720 1.990 15.347 1.00 0.00 H new ATOM 0 HG1 THR A 73 -28.992 3.723 13.592 1.00 0.00 H new ATOM 0 HG21 THR A 73 -29.926 2.256 16.477 1.00 0.00 H new ATOM 0 HG22 THR A 73 -28.614 3.044 17.386 1.00 0.00 H new ATOM 0 HG23 THR A 73 -29.731 4.024 16.406 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.236 4.890 13.120 1.00 0.00 N ATOM 1148 CA TRP A 74 -25.310 4.864 11.986 1.00 0.00 C ATOM 1149 C TRP A 74 -24.648 6.229 11.786 1.00 0.00 C ATOM 1150 O TRP A 74 -25.320 7.262 11.759 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.999 4.375 10.684 1.00 0.00 C ATOM 1152 CG TRP A 74 -27.202 5.173 10.240 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -28.489 5.021 10.670 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -27.234 6.218 9.250 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -29.311 5.911 10.030 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -28.570 6.654 9.150 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -26.267 6.830 8.437 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -28.963 7.670 8.279 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -26.663 7.838 7.575 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -27.999 8.246 7.503 1.00 0.00 C ATOM 0 H TRP A 74 -26.851 5.703 13.142 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.529 4.142 12.223 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -25.263 4.384 9.880 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -26.305 3.338 10.824 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.813 4.302 11.409 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -30.315 6.005 10.184 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -25.233 6.520 8.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -29.993 7.989 8.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -25.927 8.318 6.947 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -28.274 9.034 6.818 1.00 0.00 H new ATOM 1171 N THR A 75 -23.330 6.227 11.682 1.00 0.00 N ATOM 1172 CA THR A 75 -22.556 7.446 11.509 1.00 0.00 C ATOM 1173 C THR A 75 -21.475 7.271 10.432 1.00 0.00 C ATOM 1174 O THR A 75 -20.790 6.243 10.386 1.00 0.00 O ATOM 1175 CB THR A 75 -21.913 7.882 12.857 1.00 0.00 C ATOM 1176 OG1 THR A 75 -22.945 8.229 13.787 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.967 9.059 12.681 1.00 0.00 C ATOM 0 H THR A 75 -22.765 5.379 11.715 1.00 0.00 H new ATOM 0 HA THR A 75 -23.238 8.229 11.178 1.00 0.00 H new ATOM 0 HB THR A 75 -21.330 7.043 13.236 1.00 0.00 H new ATOM 0 HG1 THR A 75 -22.541 8.502 14.637 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.540 9.331 13.647 1.00 0.00 H new ATOM 0 HG22 THR A 75 -20.166 8.783 11.995 1.00 0.00 H new ATOM 0 HG23 THR A 75 -21.515 9.909 12.275 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.360 8.262 9.552 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.345 8.259 8.507 1.00 0.00 C ATOM 1187 C LYS A 76 -19.107 9.015 8.990 1.00 0.00 C ATOM 1188 O LYS A 76 -19.212 10.153 9.447 1.00 0.00 O ATOM 1189 CB LYS A 76 -20.896 8.915 7.235 1.00 0.00 C ATOM 1190 CG LYS A 76 -19.900 8.977 6.084 1.00 0.00 C ATOM 1191 CD LYS A 76 -20.513 9.605 4.838 1.00 0.00 C ATOM 1192 CE LYS A 76 -20.861 11.064 5.064 1.00 0.00 C ATOM 1193 NZ LYS A 76 -21.335 11.723 3.824 1.00 0.00 N ATOM 0 H LYS A 76 -21.964 9.084 9.544 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.071 7.229 8.280 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -21.778 8.364 6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -21.222 9.927 7.474 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.027 9.554 6.390 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.552 7.971 5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.814 9.521 4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -21.411 9.055 4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -21.632 11.138 5.831 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.985 11.591 5.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.561 12.718 4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.590 11.677 3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -22.187 11.237 3.477 1.00 0.00 H new ATOM 1207 N LEU A 77 -17.945 8.395 8.877 1.00 0.00 N ATOM 1208 CA LEU A 77 -16.714 9.000 9.370 1.00 0.00 C ATOM 1209 C LEU A 77 -15.766 9.368 8.226 1.00 0.00 C ATOM 1210 O LEU A 77 -15.366 8.511 7.439 1.00 0.00 O ATOM 1211 CB LEU A 77 -16.029 8.043 10.343 1.00 0.00 C ATOM 1212 CG LEU A 77 -16.875 7.612 11.542 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -16.121 6.616 12.402 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -17.288 8.817 12.363 1.00 0.00 C ATOM 0 H LEU A 77 -17.825 7.476 8.450 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.972 9.924 9.887 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.724 7.151 9.795 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.120 8.517 10.713 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.775 7.126 11.166 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.742 6.323 13.249 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.877 5.735 11.809 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.201 7.073 12.767 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.889 8.490 13.212 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.399 9.333 12.725 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.874 9.496 11.743 1.00 0.00 H new ATOM 1226 N THR A 78 -15.449 10.656 8.122 1.00 0.00 N ATOM 1227 CA THR A 78 -14.528 11.153 7.112 1.00 0.00 C ATOM 1228 C THR A 78 -13.246 11.714 7.766 1.00 0.00 C ATOM 1229 O THR A 78 -13.324 12.565 8.640 1.00 0.00 O ATOM 1230 CB THR A 78 -15.201 12.245 6.270 1.00 0.00 C ATOM 1231 OG1 THR A 78 -16.436 11.739 5.748 1.00 0.00 O ATOM 1232 CG2 THR A 78 -14.307 12.671 5.114 1.00 0.00 C ATOM 0 H THR A 78 -15.824 11.380 8.735 1.00 0.00 H new ATOM 0 HA THR A 78 -14.253 10.320 6.465 1.00 0.00 H new ATOM 0 HB THR A 78 -15.382 13.112 6.905 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.712 12.279 4.978 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.808 13.446 4.533 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.367 13.061 5.505 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.105 11.812 4.475 1.00 0.00 H new ATOM 1240 N TYR A 79 -12.083 11.228 7.330 1.00 0.00 N ATOM 1241 CA TYR A 79 -10.777 11.674 7.873 1.00 0.00 C ATOM 1242 C TYR A 79 -9.986 12.411 6.805 1.00 0.00 C ATOM 1243 O TYR A 79 -8.899 12.906 7.061 1.00 0.00 O ATOM 1244 CB TYR A 79 -9.987 10.450 8.328 1.00 0.00 C ATOM 1245 CG TYR A 79 -10.815 9.490 9.139 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -11.094 9.746 10.468 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -11.341 8.336 8.566 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -11.860 8.887 11.212 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -12.115 7.470 9.306 1.00 0.00 C ATOM 1250 CZ TYR A 79 -12.372 7.750 10.626 1.00 0.00 C ATOM 1251 OH TYR A 79 -13.140 6.893 11.364 1.00 0.00 O ATOM 0 H TYR A 79 -12.008 10.521 6.599 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.949 12.347 8.713 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.592 9.933 7.454 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.132 10.775 8.920 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.701 10.640 10.929 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.140 8.117 7.528 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.061 9.100 12.251 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -12.517 6.577 8.852 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.627 6.577 12.137 1.00 0.00 H new ATOM 1261 N ALA A 80 -10.538 12.449 5.594 1.00 0.00 N ATOM 1262 CA ALA A 80 -9.905 13.110 4.436 1.00 0.00 C ATOM 1263 C ALA A 80 -8.663 12.344 3.942 1.00 0.00 C ATOM 1264 O ALA A 80 -8.074 12.696 2.915 1.00 0.00 O ATOM 1265 CB ALA A 80 -9.556 14.561 4.754 1.00 0.00 C ATOM 0 H ALA A 80 -11.440 12.023 5.379 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.635 13.103 3.626 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.091 15.023 3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.464 15.106 5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.863 14.593 5.595 1.00 0.00 H new ATOM 1271 N ASN A 81 -8.283 11.297 4.668 1.00 0.00 N ATOM 1272 CA ASN A 81 -7.120 10.484 4.319 1.00 0.00 C ATOM 1273 C ASN A 81 -7.469 9.014 4.290 1.00 0.00 C ATOM 1274 O ASN A 81 -8.230 8.531 5.129 1.00 0.00 O ATOM 1275 CB ASN A 81 -5.972 10.715 5.297 1.00 0.00 C ATOM 1276 CG ASN A 81 -5.269 12.035 5.077 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -4.318 12.113 4.304 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -5.728 13.075 5.748 1.00 0.00 N ATOM 0 H ASN A 81 -8.769 10.988 5.510 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.802 10.791 3.322 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.357 10.679 6.316 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.250 9.904 5.200 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.290 13.989 5.634 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.521 12.965 6.380 1.00 0.00 H new ATOM 1285 N HIS A 82 -6.885 8.299 3.344 1.00 0.00 N ATOM 1286 CA HIS A 82 -7.142 6.870 3.176 1.00 0.00 C ATOM 1287 C HIS A 82 -6.455 6.059 4.273 1.00 0.00 C ATOM 1288 O HIS A 82 -6.811 4.912 4.528 1.00 0.00 O ATOM 1289 CB HIS A 82 -6.642 6.408 1.799 1.00 0.00 C ATOM 1290 CG HIS A 82 -5.143 6.416 1.655 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -4.400 7.575 1.606 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -4.250 5.395 1.557 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -3.120 7.274 1.485 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -3.000 5.961 1.453 1.00 0.00 N ATOM 0 H HIS A 82 -6.222 8.685 2.672 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.217 6.705 3.248 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.009 5.399 1.611 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.073 7.052 1.033 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.479 4.339 1.560 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -2.308 7.983 1.423 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.123 5.448 1.365 1.00 0.00 H new ATOM 1302 N SER A 83 -5.474 6.672 4.907 1.00 0.00 N ATOM 1303 CA SER A 83 -4.701 6.022 5.954 1.00 0.00 C ATOM 1304 C SER A 83 -5.599 5.598 7.123 1.00 0.00 C ATOM 1305 O SER A 83 -5.493 4.483 7.631 1.00 0.00 O ATOM 1306 CB SER A 83 -3.623 6.982 6.445 1.00 0.00 C ATOM 1307 OG SER A 83 -2.879 7.493 5.349 1.00 0.00 O ATOM 0 H SER A 83 -5.189 7.632 4.713 1.00 0.00 H new ATOM 0 HA SER A 83 -4.240 5.123 5.544 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.082 7.803 6.996 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.956 6.467 7.137 1.00 0.00 H new ATOM 0 HG SER A 83 -2.192 8.109 5.679 1.00 0.00 H new ATOM 1313 N SER A 84 -6.498 6.486 7.520 1.00 0.00 N ATOM 1314 CA SER A 84 -7.405 6.203 8.615 1.00 0.00 C ATOM 1315 C SER A 84 -8.558 5.318 8.143 1.00 0.00 C ATOM 1316 O SER A 84 -9.143 4.583 8.927 1.00 0.00 O ATOM 1317 CB SER A 84 -7.932 7.510 9.214 1.00 0.00 C ATOM 1318 OG SER A 84 -8.653 7.282 10.408 1.00 0.00 O ATOM 0 H SER A 84 -6.617 7.407 7.099 1.00 0.00 H new ATOM 0 HA SER A 84 -6.861 5.663 9.389 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.097 8.181 9.415 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.575 8.009 8.490 1.00 0.00 H new ATOM 0 HG SER A 84 -9.414 7.898 10.453 1.00 0.00 H new ATOM 1324 N TYR A 85 -8.850 5.383 6.843 1.00 0.00 N ATOM 1325 CA TYR A 85 -9.928 4.594 6.234 1.00 0.00 C ATOM 1326 C TYR A 85 -9.703 3.103 6.427 1.00 0.00 C ATOM 1327 O TYR A 85 -10.602 2.382 6.853 1.00 0.00 O ATOM 1328 CB TYR A 85 -10.015 4.918 4.726 1.00 0.00 C ATOM 1329 CG TYR A 85 -10.836 3.932 3.910 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -12.210 4.058 3.782 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -10.214 2.864 3.269 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -12.942 3.149 3.040 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -10.933 1.957 2.530 1.00 0.00 C ATOM 1334 CZ TYR A 85 -12.297 2.099 2.417 1.00 0.00 C ATOM 1335 OH TYR A 85 -13.017 1.189 1.683 1.00 0.00 O ATOM 0 H TYR A 85 -8.350 5.980 6.184 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.864 4.859 6.726 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.444 5.913 4.606 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.005 4.955 4.317 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.717 4.878 4.269 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.144 2.746 3.355 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.012 3.260 2.948 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.430 1.136 2.040 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.410 0.515 1.311 1.00 0.00 H new ATOM 1345 N LEU A 86 -8.499 2.653 6.124 1.00 0.00 N ATOM 1346 CA LEU A 86 -8.168 1.264 6.197 1.00 0.00 C ATOM 1347 C LEU A 86 -8.253 0.745 7.636 1.00 0.00 C ATOM 1348 O LEU A 86 -8.763 -0.343 7.884 1.00 0.00 O ATOM 1349 CB LEU A 86 -6.775 1.048 5.628 1.00 0.00 C ATOM 1350 CG LEU A 86 -6.336 -0.391 5.542 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -7.228 -1.167 4.579 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -4.891 -0.485 5.116 1.00 0.00 C ATOM 0 H LEU A 86 -7.730 3.251 5.821 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.891 0.701 5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.735 1.484 4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.059 1.594 6.243 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.430 -0.835 6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.895 -2.204 4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.259 -1.133 4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.168 -0.720 3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.595 -1.533 5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.769 -0.021 4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.263 0.031 5.842 1.00 0.00 H new ATOM 1364 N ARG A 87 -7.752 1.531 8.571 1.00 0.00 N ATOM 1365 CA ARG A 87 -7.768 1.151 9.980 1.00 0.00 C ATOM 1366 C ARG A 87 -9.193 1.172 10.545 1.00 0.00 C ATOM 1367 O ARG A 87 -9.562 0.328 11.365 1.00 0.00 O ATOM 1368 CB ARG A 87 -6.839 2.056 10.790 1.00 0.00 C ATOM 1369 CG ARG A 87 -5.378 1.936 10.364 1.00 0.00 C ATOM 1370 CD ARG A 87 -4.464 2.848 11.164 1.00 0.00 C ATOM 1371 NE ARG A 87 -4.362 2.437 12.563 1.00 0.00 N ATOM 1372 CZ ARG A 87 -3.586 3.038 13.468 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -2.843 4.091 13.128 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -3.548 2.576 14.709 1.00 0.00 N ATOM 0 H ARG A 87 -7.327 2.439 8.384 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.401 0.128 10.059 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.161 3.092 10.680 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.926 1.806 11.847 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.051 0.903 10.484 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.290 2.177 9.305 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.471 2.850 10.714 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.839 3.870 11.114 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.920 1.639 12.868 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.865 4.443 12.171 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.253 4.545 13.825 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.110 1.765 14.969 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.957 3.031 15.405 1.00 0.00 H new ATOM 1388 N ALA A 88 -9.986 2.138 10.091 1.00 0.00 N ATOM 1389 CA ALA A 88 -11.375 2.297 10.535 1.00 0.00 C ATOM 1390 C ALA A 88 -12.283 1.229 9.923 1.00 0.00 C ATOM 1391 O ALA A 88 -13.426 1.064 10.339 1.00 0.00 O ATOM 1392 CB ALA A 88 -11.889 3.689 10.193 1.00 0.00 C ATOM 0 H ALA A 88 -9.689 2.833 9.406 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.393 2.172 11.618 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.921 3.789 10.530 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.271 4.437 10.690 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.843 3.839 9.114 1.00 0.00 H new ATOM 1398 N LEU A 89 -11.759 0.515 8.930 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.506 -0.536 8.241 1.00 0.00 C ATOM 1400 C LEU A 89 -12.913 -1.617 9.241 1.00 0.00 C ATOM 1401 O LEU A 89 -14.012 -2.159 9.176 1.00 0.00 O ATOM 1402 CB LEU A 89 -11.632 -1.155 7.143 1.00 0.00 C ATOM 1403 CG LEU A 89 -12.317 -2.144 6.205 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -13.328 -1.419 5.333 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -11.288 -2.857 5.346 1.00 0.00 C ATOM 0 H LEU A 89 -10.810 0.647 8.581 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.400 -0.105 7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.216 -0.347 6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.793 -1.662 7.620 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.842 -2.890 6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.812 -2.133 4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.079 -0.945 5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.819 -0.658 4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.792 -3.559 4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.740 -2.125 4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.592 -3.399 5.986 1.00 0.00 H new ATOM 1417 N ARG A 90 -11.991 -1.926 10.156 1.00 0.00 N ATOM 1418 CA ARG A 90 -12.211 -2.905 11.217 1.00 0.00 C ATOM 1419 C ARG A 90 -12.603 -4.274 10.664 1.00 0.00 C ATOM 1420 O ARG A 90 -11.848 -4.872 9.895 1.00 0.00 O ATOM 1421 CB ARG A 90 -13.265 -2.404 12.223 1.00 0.00 C ATOM 1422 CG ARG A 90 -12.890 -1.108 12.926 1.00 0.00 C ATOM 1423 CD ARG A 90 -11.622 -1.274 13.748 1.00 0.00 C ATOM 1424 NE ARG A 90 -11.746 -2.337 14.751 1.00 0.00 N ATOM 1425 CZ ARG A 90 -10.728 -2.802 15.481 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -9.513 -2.290 15.338 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -10.928 -3.780 16.347 1.00 0.00 N ATOM 0 H ARG A 90 -11.065 -1.499 10.179 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.262 -3.024 11.740 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.210 -2.260 11.700 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.430 -3.177 12.974 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.747 -0.319 12.188 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.708 -0.793 13.574 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.788 -1.499 13.084 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.388 -0.333 14.246 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.668 -2.747 14.901 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.352 -1.538 14.668 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.739 -2.649 15.898 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.860 -4.180 16.458 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.151 -4.135 16.904 1.00 0.00 H new ATOM 1441 N GLU A 91 -13.790 -4.759 11.061 1.00 0.00 N ATOM 1442 CA GLU A 91 -14.289 -6.073 10.648 1.00 0.00 C ATOM 1443 C GLU A 91 -13.255 -7.172 10.988 1.00 0.00 C ATOM 1444 O GLU A 91 -12.992 -8.081 10.205 1.00 0.00 O ATOM 1445 CB GLU A 91 -14.642 -6.068 9.144 1.00 0.00 C ATOM 1446 CG GLU A 91 -15.290 -7.354 8.643 1.00 0.00 C ATOM 1447 CD GLU A 91 -16.545 -7.706 9.404 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -16.436 -8.366 10.468 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -17.644 -7.326 8.951 1.00 0.00 O ATOM 0 H GLU A 91 -14.426 -4.251 11.675 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.202 -6.295 11.200 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -15.316 -5.235 8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.733 -5.887 8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.529 -7.248 7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.576 -8.173 8.728 1.00 0.00 H new ATOM 1456 N HIS A 92 -12.667 -7.059 12.162 1.00 0.00 N ATOM 1457 CA HIS A 92 -11.697 -8.041 12.635 1.00 0.00 C ATOM 1458 C HIS A 92 -12.172 -8.659 13.938 1.00 0.00 C ATOM 1459 O HIS A 92 -11.400 -8.811 14.883 1.00 0.00 O ATOM 1460 CB HIS A 92 -10.307 -7.408 12.831 1.00 0.00 C ATOM 1461 CG HIS A 92 -9.624 -6.978 11.566 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -9.319 -7.845 10.541 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -9.164 -5.768 11.175 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -8.697 -7.187 9.579 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -8.590 -5.924 9.940 1.00 0.00 N ATOM 0 H HIS A 92 -12.842 -6.294 12.814 1.00 0.00 H new ATOM 0 HA HIS A 92 -11.611 -8.818 11.876 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -10.407 -6.542 13.485 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.667 -8.124 13.347 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -9.236 -4.847 11.734 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -8.337 -7.612 8.654 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.152 -5.184 9.391 1.00 0.00 H new ATOM 1473 N GLY A 93 -13.447 -9.014 13.987 1.00 0.00 N ATOM 1474 CA GLY A 93 -14.007 -9.584 15.195 1.00 0.00 C ATOM 1475 C GLY A 93 -14.196 -8.534 16.264 1.00 0.00 C ATOM 1476 O GLY A 93 -13.960 -8.781 17.449 1.00 0.00 O ATOM 0 H GLY A 93 -14.104 -8.918 13.213 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.965 -10.051 14.968 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.350 -10.370 15.567 1.00 0.00 H new ATOM 1480 N THR A 94 -14.617 -7.358 15.845 1.00 0.00 N ATOM 1481 CA THR A 94 -14.775 -6.244 16.750 1.00 0.00 C ATOM 1482 C THR A 94 -16.117 -6.291 17.470 1.00 0.00 C ATOM 1483 O THR A 94 -17.148 -5.884 16.929 1.00 0.00 O ATOM 1484 CB THR A 94 -14.618 -4.908 16.001 1.00 0.00 C ATOM 1485 OG1 THR A 94 -13.364 -4.921 15.299 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.641 -3.733 16.970 1.00 0.00 C ATOM 0 H THR A 94 -14.857 -7.151 14.875 1.00 0.00 H new ATOM 0 HA THR A 94 -13.990 -6.321 17.502 1.00 0.00 H new ATOM 0 HB THR A 94 -15.448 -4.792 15.304 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.529 -4.979 14.335 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.528 -2.802 16.415 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.589 -3.723 17.507 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.822 -3.833 17.682 1.00 0.00 H new ATOM 1494 N ILE A 95 -16.089 -6.796 18.693 1.00 0.00 N ATOM 1495 CA ILE A 95 -17.267 -6.874 19.524 1.00 0.00 C ATOM 1496 C ILE A 95 -17.155 -5.872 20.658 1.00 0.00 C ATOM 1497 O ILE A 95 -16.166 -5.864 21.397 1.00 0.00 O ATOM 1498 CB ILE A 95 -17.463 -8.302 20.106 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -17.751 -9.303 18.982 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -18.574 -8.327 21.150 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -17.788 -10.748 19.444 1.00 0.00 C ATOM 0 H ILE A 95 -15.245 -7.162 19.133 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.133 -6.642 18.904 1.00 0.00 H new ATOM 0 HB ILE A 95 -16.537 -8.594 20.602 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -18.707 -9.054 18.522 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -16.989 -9.197 18.210 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -18.686 -9.340 21.538 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -18.321 -7.652 21.967 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -19.510 -8.008 20.693 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -17.997 -11.397 18.593 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.824 -11.016 19.877 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -18.569 -10.870 20.194 1.00 0.00 H new ATOM 1513 N TYR A 96 -18.152 -5.025 20.783 1.00 0.00 N ATOM 1514 CA TYR A 96 -18.160 -4.016 21.814 1.00 0.00 C ATOM 1515 C TYR A 96 -19.520 -4.020 22.508 1.00 0.00 C ATOM 1516 O TYR A 96 -20.557 -4.048 21.844 1.00 0.00 O ATOM 1517 CB TYR A 96 -17.860 -2.637 21.203 1.00 0.00 C ATOM 1518 CG TYR A 96 -17.407 -1.613 22.211 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -16.085 -1.580 22.621 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -18.284 -0.691 22.756 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -15.645 -0.664 23.549 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -17.853 0.237 23.686 1.00 0.00 C ATOM 1523 CZ TYR A 96 -16.531 0.243 24.080 1.00 0.00 C ATOM 1524 OH TYR A 96 -16.100 1.152 25.017 1.00 0.00 O ATOM 0 H TYR A 96 -18.973 -5.017 20.178 1.00 0.00 H new ATOM 0 HA TYR A 96 -17.387 -4.234 22.551 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -17.090 -2.748 20.440 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -18.755 -2.269 20.702 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -15.384 -2.288 22.204 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -19.320 -0.697 22.450 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -14.610 -0.658 23.858 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -18.547 0.953 24.101 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.155 1.361 24.860 1.00 0.00 H new ATOM 1534 N CYS A 97 -19.507 -4.031 23.842 1.00 0.00 N ATOM 1535 CA CYS A 97 -20.738 -4.060 24.646 1.00 0.00 C ATOM 1536 C CYS A 97 -21.537 -5.355 24.419 1.00 0.00 C ATOM 1537 O CYS A 97 -22.741 -5.418 24.697 1.00 0.00 O ATOM 1538 CB CYS A 97 -21.608 -2.824 24.369 1.00 0.00 C ATOM 1539 SG CYS A 97 -20.849 -1.265 24.879 1.00 0.00 S ATOM 0 H CYS A 97 -18.651 -4.020 24.396 1.00 0.00 H new ATOM 0 HA CYS A 97 -20.440 -4.039 25.694 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -21.828 -2.778 23.302 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -22.561 -2.939 24.886 1.00 0.00 H new ATOM 0 HG CYS A 97 -19.767 -1.062 24.187 1.00 0.00 H new ATOM 1545 N GLY A 98 -20.860 -6.386 23.932 1.00 0.00 N ATOM 1546 CA GLY A 98 -21.505 -7.664 23.731 1.00 0.00 C ATOM 1547 C GLY A 98 -21.958 -7.911 22.300 1.00 0.00 C ATOM 1548 O GLY A 98 -22.407 -9.013 21.977 1.00 0.00 O ATOM 0 H GLY A 98 -19.874 -6.358 23.673 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -20.817 -8.457 24.025 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -22.370 -7.731 24.391 1.00 0.00 H new ATOM 1552 N ALA A 99 -21.831 -6.914 21.439 1.00 0.00 N ATOM 1553 CA ALA A 99 -22.251 -7.066 20.045 1.00 0.00 C ATOM 1554 C ALA A 99 -21.200 -6.524 19.092 1.00 0.00 C ATOM 1555 O ALA A 99 -20.424 -5.643 19.452 1.00 0.00 O ATOM 1556 CB ALA A 99 -23.582 -6.368 19.814 1.00 0.00 C ATOM 0 H ALA A 99 -21.446 -5.999 21.672 1.00 0.00 H new ATOM 0 HA ALA A 99 -22.371 -8.131 19.845 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -23.881 -6.490 18.773 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -24.340 -6.806 20.463 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -23.480 -5.307 20.040 1.00 0.00 H new ATOM 1562 N ALA A 100 -21.161 -7.062 17.883 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.212 -6.602 16.886 1.00 0.00 C ATOM 1564 C ALA A 100 -20.800 -5.456 16.099 1.00 0.00 C ATOM 1565 O ALA A 100 -21.964 -5.507 15.683 1.00 0.00 O ATOM 1566 CB ALA A 100 -19.795 -7.731 15.940 1.00 0.00 C ATOM 0 H ALA A 100 -21.774 -7.815 17.571 1.00 0.00 H new ATOM 0 HA ALA A 100 -19.319 -6.260 17.410 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.084 -7.348 15.208 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -19.329 -8.533 16.513 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -20.674 -8.117 15.425 1.00 0.00 H new ATOM 1572 N ILE A 101 -20.008 -4.429 15.903 1.00 0.00 N ATOM 1573 CA ILE A 101 -20.438 -3.266 15.158 1.00 0.00 C ATOM 1574 C ILE A 101 -20.073 -3.432 13.690 1.00 0.00 C ATOM 1575 O ILE A 101 -19.097 -4.105 13.362 1.00 0.00 O ATOM 1576 CB ILE A 101 -19.807 -1.960 15.708 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -18.279 -2.007 15.600 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -20.232 -1.716 17.161 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -17.602 -0.716 16.000 1.00 0.00 C ATOM 0 H ILE A 101 -19.051 -4.374 16.253 1.00 0.00 H new ATOM 0 HA ILE A 101 -21.519 -3.184 15.267 1.00 0.00 H new ATOM 0 HB ILE A 101 -20.171 -1.131 15.101 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -17.904 -2.814 16.229 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -18.003 -2.249 14.574 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -19.776 -0.794 17.523 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -21.317 -1.629 17.213 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -19.905 -2.551 17.781 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -16.522 -0.825 15.898 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.948 0.091 15.355 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.847 -0.483 17.036 1.00 0.00 H new ATOM 1591 N GLY A 102 -20.846 -2.830 12.817 1.00 0.00 N ATOM 1592 CA GLY A 102 -20.590 -2.969 11.406 1.00 0.00 C ATOM 1593 C GLY A 102 -19.833 -1.787 10.856 1.00 0.00 C ATOM 1594 O GLY A 102 -20.217 -0.638 11.076 1.00 0.00 O ATOM 0 H GLY A 102 -21.648 -2.246 13.056 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -20.020 -3.881 11.228 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -21.535 -3.075 10.874 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.749 -2.065 10.168 1.00 0.00 N ATOM 1599 CA CYS A 103 -17.920 -1.033 9.576 1.00 0.00 C ATOM 1600 C CYS A 103 -17.624 -1.386 8.126 1.00 0.00 C ATOM 1601 O CYS A 103 -16.923 -2.362 7.849 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.611 -0.891 10.362 1.00 0.00 C ATOM 1603 SG CYS A 103 -16.832 -0.690 12.148 1.00 0.00 S ATOM 0 H CYS A 103 -18.414 -3.014 10.001 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.452 -0.082 9.612 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -15.995 -1.772 10.181 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -16.061 -0.032 9.977 1.00 0.00 H new ATOM 0 HG CYS A 103 -16.511 0.522 12.491 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.180 -0.619 7.205 1.00 0.00 N ATOM 1610 CA VAL A 104 -17.986 -0.864 5.780 1.00 0.00 C ATOM 1611 C VAL A 104 -17.797 0.447 5.023 1.00 0.00 C ATOM 1612 O VAL A 104 -18.174 1.512 5.519 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.188 -1.633 5.157 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -19.265 -3.052 5.698 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.494 -0.893 5.410 1.00 0.00 C ATOM 0 H VAL A 104 -18.773 0.184 7.416 1.00 0.00 H new ATOM 0 HA VAL A 104 -17.089 -1.476 5.688 1.00 0.00 H new ATOM 0 HB VAL A 104 -19.028 -1.688 4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -20.113 -3.568 5.247 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -18.345 -3.584 5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -19.392 -3.022 6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.319 -1.449 4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -20.657 -0.799 6.484 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.443 0.099 4.962 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.195 0.392 3.816 1.00 0.00 N ATOM 1626 CA PRO A 105 -17.012 1.575 2.968 1.00 0.00 C ATOM 1627 C PRO A 105 -18.352 2.193 2.562 1.00 0.00 C ATOM 1628 O PRO A 105 -19.364 1.487 2.448 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.283 1.027 1.734 1.00 0.00 C ATOM 1630 CG PRO A 105 -16.543 -0.439 1.754 1.00 0.00 C ATOM 1631 CD PRO A 105 -16.620 -0.817 3.198 1.00 0.00 C ATOM 0 HA PRO A 105 -16.465 2.367 3.480 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -16.660 1.482 0.818 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.215 1.239 1.780 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.472 -0.679 1.237 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -15.746 -0.985 1.248 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -17.251 -1.692 3.355 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.638 -1.054 3.608 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.349 3.506 2.350 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.563 4.250 2.006 1.00 0.00 C ATOM 1641 C TYR A 106 -20.236 3.688 0.756 1.00 0.00 C ATOM 1642 O TYR A 106 -19.661 3.691 -0.337 1.00 0.00 O ATOM 1643 CB TYR A 106 -19.224 5.735 1.801 1.00 0.00 C ATOM 1644 CG TYR A 106 -20.423 6.632 1.551 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -21.178 7.111 2.607 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -20.787 7.011 0.263 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -22.261 7.946 2.393 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -21.875 7.843 0.040 1.00 0.00 C ATOM 1649 CZ TYR A 106 -22.606 8.307 1.113 1.00 0.00 C ATOM 1650 OH TYR A 106 -23.685 9.139 0.907 1.00 0.00 O ATOM 0 H TYR A 106 -17.511 4.084 2.411 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.265 4.146 2.833 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -18.694 6.097 2.682 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.539 5.824 0.958 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.918 6.828 3.616 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.213 6.651 -0.578 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -22.834 8.313 3.231 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -22.147 8.125 -0.966 1.00 0.00 H new ATOM 0 HH TYR A 106 -23.796 9.299 -0.053 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.458 3.209 0.933 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.255 2.687 -0.159 1.00 0.00 C ATOM 1662 C LYS A 107 -23.476 3.569 -0.363 1.00 0.00 C ATOM 1663 O LYS A 107 -24.128 3.967 0.603 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.707 1.249 0.128 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.591 0.215 0.147 1.00 0.00 C ATOM 1666 CD LYS A 107 -22.148 -1.178 0.428 1.00 0.00 C ATOM 1667 CE LYS A 107 -21.065 -2.242 0.363 1.00 0.00 C ATOM 1668 NZ LYS A 107 -20.027 -2.041 1.398 1.00 0.00 N ATOM 0 H LYS A 107 -21.923 3.173 1.840 1.00 0.00 H new ATOM 0 HA LYS A 107 -21.642 2.683 -1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -23.216 1.230 1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.439 0.957 -0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -21.071 0.217 -0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.857 0.479 0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -22.612 -1.192 1.414 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -22.929 -1.410 -0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -21.516 -3.226 0.488 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -20.601 -2.227 -0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -19.354 -2.834 1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -19.521 -1.152 1.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -20.475 -1.996 2.335 1.00 0.00 H new ATOM 1682 N HIS A 108 -23.791 3.855 -1.609 1.00 0.00 N ATOM 1683 CA HIS A 108 -24.923 4.717 -1.937 1.00 0.00 C ATOM 1684 C HIS A 108 -26.238 4.064 -1.511 1.00 0.00 C ATOM 1685 O HIS A 108 -27.082 4.703 -0.882 1.00 0.00 O ATOM 1686 CB HIS A 108 -24.939 5.015 -3.447 1.00 0.00 C ATOM 1687 CG HIS A 108 -26.007 5.984 -3.873 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -27.284 5.596 -4.225 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -25.980 7.333 -4.006 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -27.993 6.662 -4.555 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -27.225 7.726 -4.429 1.00 0.00 N ATOM 0 H HIS A 108 -23.280 3.505 -2.419 1.00 0.00 H new ATOM 0 HA HIS A 108 -24.814 5.655 -1.393 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -23.967 5.413 -3.738 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -25.076 4.079 -3.989 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -25.136 7.978 -3.815 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -29.025 6.661 -4.873 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -27.510 8.687 -4.616 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.386 2.790 -1.831 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.604 2.054 -1.508 1.00 0.00 C ATOM 1701 C GLU A 109 -27.776 1.851 0.005 1.00 0.00 C ATOM 1702 O GLU A 109 -28.891 1.932 0.527 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.619 0.712 -2.228 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.849 -0.117 -1.931 1.00 0.00 C ATOM 1705 CD GLU A 109 -28.854 -1.424 -2.670 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -28.099 -2.336 -2.277 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -29.632 -1.556 -3.640 1.00 0.00 O ATOM 0 H GLU A 109 -25.678 2.239 -2.316 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.446 2.655 -1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.557 0.884 -3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.732 0.146 -1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -28.904 -0.309 -0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.740 0.451 -2.199 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.670 1.611 0.703 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.710 1.382 2.150 1.00 0.00 C ATOM 1716 C LEU A 110 -27.270 2.604 2.858 1.00 0.00 C ATOM 1717 O LEU A 110 -28.127 2.491 3.735 1.00 0.00 O ATOM 1718 CB LEU A 110 -25.306 1.068 2.680 1.00 0.00 C ATOM 1719 CG LEU A 110 -25.196 0.845 4.190 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -25.984 -0.383 4.619 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -23.742 0.721 4.604 1.00 0.00 C ATOM 0 H LEU A 110 -25.736 1.569 0.295 1.00 0.00 H new ATOM 0 HA LEU A 110 -27.359 0.529 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -24.938 0.176 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.643 1.888 2.404 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.625 1.711 4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -25.889 -0.518 5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -27.035 -0.249 4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -25.594 -1.263 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -23.683 0.563 5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -23.287 -0.124 4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -23.210 1.635 4.342 1.00 0.00 H new ATOM 1733 N ILE A 111 -26.798 3.768 2.449 1.00 0.00 N ATOM 1734 CA ILE A 111 -27.269 5.027 2.998 1.00 0.00 C ATOM 1735 C ILE A 111 -28.742 5.229 2.684 1.00 0.00 C ATOM 1736 O ILE A 111 -29.493 5.724 3.513 1.00 0.00 O ATOM 1737 CB ILE A 111 -26.445 6.227 2.482 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -24.960 6.008 2.779 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -26.936 7.535 3.107 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -24.634 5.881 4.258 1.00 0.00 C ATOM 0 H ILE A 111 -26.081 3.867 1.730 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.138 4.977 4.079 1.00 0.00 H new ATOM 0 HB ILE A 111 -26.579 6.302 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -24.627 5.106 2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -24.391 6.839 2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -26.340 8.365 2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -27.983 7.692 2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -26.835 7.481 4.191 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -23.562 5.728 4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -24.933 6.792 4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.173 5.032 4.678 1.00 0.00 H new ATOM 1752 N SER A 112 -29.146 4.836 1.483 1.00 0.00 N ATOM 1753 CA SER A 112 -30.526 4.987 1.048 1.00 0.00 C ATOM 1754 C SER A 112 -31.470 4.252 2.001 1.00 0.00 C ATOM 1755 O SER A 112 -32.488 4.806 2.425 1.00 0.00 O ATOM 1756 CB SER A 112 -30.681 4.439 -0.376 1.00 0.00 C ATOM 1757 OG SER A 112 -31.878 4.891 -0.986 1.00 0.00 O ATOM 0 H SER A 112 -28.532 4.408 0.790 1.00 0.00 H new ATOM 0 HA SER A 112 -30.785 6.046 1.055 1.00 0.00 H new ATOM 0 HB2 SER A 112 -29.827 4.747 -0.979 1.00 0.00 H new ATOM 0 HB3 SER A 112 -30.676 3.349 -0.349 1.00 0.00 H new ATOM 0 HG SER A 112 -31.942 4.524 -1.892 1.00 0.00 H new ATOM 1763 N GLU A 113 -31.121 3.022 2.356 1.00 0.00 N ATOM 1764 CA GLU A 113 -31.938 2.246 3.290 1.00 0.00 C ATOM 1765 C GLU A 113 -31.914 2.883 4.680 1.00 0.00 C ATOM 1766 O GLU A 113 -32.947 3.000 5.345 1.00 0.00 O ATOM 1767 CB GLU A 113 -31.466 0.790 3.380 1.00 0.00 C ATOM 1768 CG GLU A 113 -31.623 0.002 2.089 1.00 0.00 C ATOM 1769 CD GLU A 113 -31.236 -1.454 2.248 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -30.137 -1.739 2.769 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -32.038 -2.330 1.860 1.00 0.00 O ATOM 0 H GLU A 113 -30.288 2.541 2.018 1.00 0.00 H new ATOM 0 HA GLU A 113 -32.959 2.249 2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -30.417 0.778 3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -32.024 0.287 4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -32.658 0.065 1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -31.007 0.456 1.313 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.733 3.310 5.098 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.546 3.937 6.398 1.00 0.00 C ATOM 1780 C LEU A 114 -31.318 5.254 6.514 1.00 0.00 C ATOM 1781 O LEU A 114 -31.926 5.539 7.545 1.00 0.00 O ATOM 1782 CB LEU A 114 -29.066 4.172 6.655 1.00 0.00 C ATOM 1783 CG LEU A 114 -28.228 2.911 6.836 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -26.779 3.272 6.985 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -28.705 2.113 8.039 1.00 0.00 C ATOM 0 H LEU A 114 -29.878 3.232 4.547 1.00 0.00 H new ATOM 0 HA LEU A 114 -30.942 3.258 7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -28.656 4.745 5.823 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -28.962 4.789 7.548 1.00 0.00 H new ATOM 0 HG LEU A 114 -28.345 2.288 5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -26.189 2.364 7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -26.442 3.800 6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -26.652 3.914 7.857 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -28.092 1.218 8.148 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -28.619 2.723 8.938 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -29.746 1.825 7.895 1.00 0.00 H new ATOM 1797 N SER A 115 -31.298 6.038 5.441 1.00 0.00 N ATOM 1798 CA SER A 115 -31.957 7.342 5.399 1.00 0.00 C ATOM 1799 C SER A 115 -33.478 7.208 5.548 1.00 0.00 C ATOM 1800 O SER A 115 -34.159 8.145 5.977 1.00 0.00 O ATOM 1801 CB SER A 115 -31.606 8.058 4.077 1.00 0.00 C ATOM 1802 OG SER A 115 -32.182 9.353 4.009 1.00 0.00 O ATOM 0 H SER A 115 -30.824 5.788 4.573 1.00 0.00 H new ATOM 0 HA SER A 115 -31.597 7.935 6.239 1.00 0.00 H new ATOM 0 HB2 SER A 115 -30.523 8.137 3.983 1.00 0.00 H new ATOM 0 HB3 SER A 115 -31.956 7.460 3.236 1.00 0.00 H new ATOM 0 HG SER A 115 -31.937 9.776 3.160 1.00 0.00 H new