USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 805 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 101 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 104 MET CE :methyl -132:sc= -0.279 (180deg=-1.07) USER MOD Set 2.1: A 25 TYR OH : rot -22:sc= 1.3 USER MOD Set 2.2: A 48 HIS : no HD1:sc= -0.515 K(o=0.78,f=-2.8) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -132:sc= -0.0728 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc=-0.00396 X(o=-0.004,f=-0.004) USER MOD Single : A 22 THR OG1 : rot -72:sc= 0.134 USER MOD Single : A 26 GLN : amide:sc= -0.083 X(o=-0.083,f=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc=-0.00571 X(o=-0.0057,f=-0.36) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -85:sc= 1.25 USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 36 SER OG : rot -70:sc= 0.703 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 83:sc= -1.89! USER MOD Single : A 56 ASN :FLIP amide:sc= -0.64 F(o=-1.6!,f=-0.64) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -6.22! C(o=-6.2!,f=-13!) USER MOD Single : A 68 ASN : amide:sc= -2.23! C(o=-2.2!,f=-4.3!) USER MOD Single : A 69 ASN : amide:sc= -0.822 X(o=-0.82,f=-0.68) USER MOD Single : A 70 GLN : amide:sc= -0.282 K(o=-0.28,f=-1.8) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0172 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -164:sc= -0.0187 (180deg=-0.18) USER MOD Single : A 91 MET CE :methyl -113:sc= -1.54 (180deg=-4.04!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0248 K(o=-0.025,f=-1.1) USER MOD Single : A 99 LYS NZ :NH3+ -157:sc= 0.0464 (180deg=-0.15) USER MOD Single : A 102 MET CE :methyl 171:sc= -3.44! (180deg=-3.57!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 68:sc= 0.0471 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N SER A 12 -6.542 -8.200 2.120 1.00 0.00 N ATOM 136 CA SER A 12 -6.709 -8.639 3.500 1.00 0.00 C ATOM 137 C SER A 12 -5.891 -7.771 4.450 1.00 0.00 C ATOM 138 O SER A 12 -6.318 -7.479 5.567 1.00 0.00 O ATOM 139 CB SER A 12 -6.293 -10.105 3.645 1.00 0.00 C ATOM 140 OG SER A 12 -6.573 -10.588 4.947 1.00 0.00 O ATOM 0 HA SER A 12 -7.763 -8.539 3.761 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.820 -10.711 2.908 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.228 -10.206 3.437 1.00 0.00 H new ATOM 0 HG SER A 12 -6.300 -11.527 5.013 1.00 0.00 H new ATOM 146 N LYS A 13 -4.711 -7.360 3.998 1.00 0.00 N ATOM 147 CA LYS A 13 -3.831 -6.523 4.805 1.00 0.00 C ATOM 148 C LYS A 13 -4.060 -5.045 4.505 1.00 0.00 C ATOM 149 O LYS A 13 -3.812 -4.184 5.351 1.00 0.00 O ATOM 150 CB LYS A 13 -2.367 -6.887 4.544 1.00 0.00 C ATOM 151 CG LYS A 13 -1.383 -6.077 5.371 1.00 0.00 C ATOM 152 CD LYS A 13 -1.540 -6.356 6.856 1.00 0.00 C ATOM 153 CE LYS A 13 -0.600 -5.496 7.687 1.00 0.00 C ATOM 154 NZ LYS A 13 0.808 -5.974 7.605 1.00 0.00 N ATOM 0 H LYS A 13 -4.342 -7.593 3.076 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.062 -6.702 5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.221 -7.946 4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.148 -6.740 3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.365 -6.313 5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.535 -5.014 5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.570 -6.165 7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.340 -7.409 7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.653 -4.463 7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.926 -5.503 8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.417 -5.362 8.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.864 -6.951 7.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.128 -5.944 6.616 1.00 0.00 H new ATOM 168 N LEU A 14 -4.534 -4.758 3.298 1.00 0.00 N ATOM 169 CA LEU A 14 -4.798 -3.383 2.887 1.00 0.00 C ATOM 170 C LEU A 14 -5.944 -2.784 3.695 1.00 0.00 C ATOM 171 O LEU A 14 -5.892 -1.621 4.099 1.00 0.00 O ATOM 172 CB LEU A 14 -5.129 -3.331 1.395 1.00 0.00 C ATOM 173 CG LEU A 14 -5.606 -1.980 0.860 1.00 0.00 C ATOM 174 CD1 LEU A 14 -4.454 -0.989 0.807 1.00 0.00 C ATOM 175 CD2 LEU A 14 -6.235 -2.143 -0.516 1.00 0.00 C ATOM 0 H LEU A 14 -4.743 -5.458 2.587 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.900 -2.795 3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.242 -3.628 0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.899 -4.074 1.188 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.363 -1.589 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.813 -0.034 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.048 -0.849 1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.674 -1.373 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.569 -1.172 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.499 -2.557 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.088 -2.818 -0.448 1.00 0.00 H new ATOM 187 N LEU A 15 -6.978 -3.585 3.930 1.00 0.00 N ATOM 188 CA LEU A 15 -8.137 -3.135 4.693 1.00 0.00 C ATOM 189 C LEU A 15 -7.712 -2.551 6.036 1.00 0.00 C ATOM 190 O LEU A 15 -8.061 -1.420 6.373 1.00 0.00 O ATOM 191 CB LEU A 15 -9.109 -4.295 4.912 1.00 0.00 C ATOM 192 CG LEU A 15 -10.426 -3.945 5.607 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.316 -3.128 4.683 1.00 0.00 C ATOM 194 CD2 LEU A 15 -11.142 -5.208 6.060 1.00 0.00 C ATOM 0 H LEU A 15 -7.037 -4.549 3.603 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.637 -2.353 4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.339 -4.738 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.603 -5.061 5.500 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.201 -3.343 6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.248 -2.888 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.805 -2.205 4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.533 -3.704 3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.077 -4.940 6.552 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.355 -5.836 5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.508 -5.755 6.758 1.00 0.00 H new ATOM 206 N THR A 16 -6.953 -3.331 6.801 1.00 0.00 N ATOM 207 CA THR A 16 -6.479 -2.892 8.107 1.00 0.00 C ATOM 208 C THR A 16 -5.935 -1.469 8.045 1.00 0.00 C ATOM 209 O THR A 16 -6.433 -0.574 8.727 1.00 0.00 O ATOM 210 CB THR A 16 -5.380 -3.826 8.649 1.00 0.00 C ATOM 211 OG1 THR A 16 -5.839 -5.182 8.635 1.00 0.00 O ATOM 212 CG2 THR A 16 -4.986 -3.434 10.065 1.00 0.00 C ATOM 0 H THR A 16 -6.654 -4.270 6.538 1.00 0.00 H new ATOM 0 HA THR A 16 -7.336 -2.922 8.780 1.00 0.00 H new ATOM 0 HB THR A 16 -4.505 -3.732 8.006 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.134 -5.769 8.979 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.209 -4.108 10.426 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.610 -2.411 10.068 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.857 -3.502 10.717 1.00 0.00 H new ATOM 220 N TRP A 17 -4.911 -1.268 7.223 1.00 0.00 N ATOM 221 CA TRP A 17 -4.301 0.048 7.072 1.00 0.00 C ATOM 222 C TRP A 17 -5.365 1.136 6.989 1.00 0.00 C ATOM 223 O TRP A 17 -5.376 2.070 7.792 1.00 0.00 O ATOM 224 CB TRP A 17 -3.419 0.083 5.823 1.00 0.00 C ATOM 225 CG TRP A 17 -2.730 1.399 5.618 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.518 1.776 6.122 1.00 0.00 C ATOM 227 CD2 TRP A 17 -3.215 2.511 4.857 1.00 0.00 C ATOM 228 NE1 TRP A 17 -1.220 3.056 5.720 1.00 0.00 N ATOM 229 CE2 TRP A 17 -2.244 3.528 4.942 1.00 0.00 C ATOM 230 CE3 TRP A 17 -4.373 2.745 4.111 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -2.399 4.759 4.310 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -4.525 3.967 3.484 1.00 0.00 C ATOM 233 CH2 TRP A 17 -3.542 4.961 3.586 1.00 0.00 C ATOM 0 H TRP A 17 -4.486 -1.998 6.652 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.684 0.237 7.950 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.669 -0.704 5.895 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.031 -0.139 4.949 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -0.887 1.159 6.745 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -0.373 3.571 5.962 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -5.135 1.985 4.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.644 5.527 4.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -5.416 4.159 2.905 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -3.690 5.905 3.083 1.00 0.00 H new ATOM 244 N CYS A 18 -6.258 1.011 6.014 1.00 0.00 N ATOM 245 CA CYS A 18 -7.328 1.985 5.826 1.00 0.00 C ATOM 246 C CYS A 18 -8.094 2.209 7.125 1.00 0.00 C ATOM 247 O CYS A 18 -8.188 3.334 7.615 1.00 0.00 O ATOM 248 CB CYS A 18 -8.285 1.517 4.729 1.00 0.00 C ATOM 249 SG CYS A 18 -7.520 1.357 3.099 1.00 0.00 S ATOM 0 H CYS A 18 -6.263 0.245 5.341 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.876 2.930 5.525 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.707 0.554 5.016 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.115 2.221 4.661 1.00 0.00 H new ATOM 0 HG CYS A 18 -8.268 1.939 2.209 1.00 0.00 H new ATOM 255 N GLN A 19 -8.640 1.130 7.678 1.00 0.00 N ATOM 256 CA GLN A 19 -9.400 1.210 8.920 1.00 0.00 C ATOM 257 C GLN A 19 -8.646 2.022 9.968 1.00 0.00 C ATOM 258 O GLN A 19 -9.232 2.849 10.665 1.00 0.00 O ATOM 259 CB GLN A 19 -9.691 -0.193 9.455 1.00 0.00 C ATOM 260 CG GLN A 19 -10.899 -0.852 8.810 1.00 0.00 C ATOM 261 CD GLN A 19 -11.177 -2.234 9.368 1.00 0.00 C ATOM 262 OE1 GLN A 19 -10.604 -2.634 10.382 1.00 0.00 O ATOM 263 NE2 GLN A 19 -12.060 -2.973 8.707 1.00 0.00 N ATOM 0 H GLN A 19 -8.570 0.191 7.286 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.344 1.713 8.708 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.816 -0.822 9.295 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.850 -0.136 10.532 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.775 -0.221 8.959 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.738 -0.924 7.734 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.511 -2.602 7.871 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.287 -3.912 9.035 1.00 0.00 H new ATOM 272 N GLN A 20 -7.343 1.778 10.073 1.00 0.00 N ATOM 273 CA GLN A 20 -6.510 2.486 11.038 1.00 0.00 C ATOM 274 C GLN A 20 -6.483 3.982 10.740 1.00 0.00 C ATOM 275 O GLN A 20 -6.763 4.803 11.613 1.00 0.00 O ATOM 276 CB GLN A 20 -5.087 1.925 11.023 1.00 0.00 C ATOM 277 CG GLN A 20 -4.990 0.497 11.533 1.00 0.00 C ATOM 278 CD GLN A 20 -3.644 0.191 12.160 1.00 0.00 C ATOM 279 OE1 GLN A 20 -3.539 0.005 13.373 1.00 0.00 O ATOM 280 NE2 GLN A 20 -2.606 0.136 11.335 1.00 0.00 N ATOM 0 H GLN A 20 -6.842 1.097 9.503 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.940 2.339 12.029 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.700 1.965 10.005 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.447 2.564 11.632 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.776 0.323 12.267 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.167 -0.192 10.707 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.739 0.297 10.337 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.675 -0.067 11.699 1.00 0.00 H new ATOM 289 N GLN A 21 -6.143 4.327 9.502 1.00 0.00 N ATOM 290 CA GLN A 21 -6.079 5.725 9.090 1.00 0.00 C ATOM 291 C GLN A 21 -7.390 6.443 9.393 1.00 0.00 C ATOM 292 O GLN A 21 -7.394 7.563 9.904 1.00 0.00 O ATOM 293 CB GLN A 21 -5.762 5.824 7.597 1.00 0.00 C ATOM 294 CG GLN A 21 -4.481 5.110 7.198 1.00 0.00 C ATOM 295 CD GLN A 21 -3.239 5.803 7.723 1.00 0.00 C ATOM 296 OE1 GLN A 21 -2.764 6.777 7.140 1.00 0.00 O ATOM 297 NE2 GLN A 21 -2.706 5.302 8.831 1.00 0.00 N ATOM 0 H GLN A 21 -5.908 3.659 8.768 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.283 6.208 9.656 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.593 5.406 7.029 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.684 6.875 7.320 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.508 4.087 7.573 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.427 5.049 6.111 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.133 4.493 9.282 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.869 5.726 9.232 1.00 0.00 H new ATOM 306 N THR A 22 -8.504 5.790 9.075 1.00 0.00 N ATOM 307 CA THR A 22 -9.821 6.366 9.311 1.00 0.00 C ATOM 308 C THR A 22 -10.278 6.124 10.745 1.00 0.00 C ATOM 309 O THR A 22 -11.471 6.172 11.042 1.00 0.00 O ATOM 310 CB THR A 22 -10.870 5.784 8.345 1.00 0.00 C ATOM 311 OG1 THR A 22 -11.015 4.377 8.568 1.00 0.00 O ATOM 312 CG2 THR A 22 -10.472 6.035 6.898 1.00 0.00 C ATOM 0 H THR A 22 -8.519 4.861 8.653 1.00 0.00 H new ATOM 0 HA THR A 22 -9.733 7.438 9.137 1.00 0.00 H new ATOM 0 HB THR A 22 -11.821 6.281 8.535 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.222 3.909 8.233 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.228 5.615 6.235 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.392 7.108 6.724 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.511 5.562 6.698 1.00 0.00 H new ATOM 320 N GLU A 23 -9.321 5.864 11.630 1.00 0.00 N ATOM 321 CA GLU A 23 -9.627 5.614 13.034 1.00 0.00 C ATOM 322 C GLU A 23 -9.798 6.926 13.795 1.00 0.00 C ATOM 323 O GLU A 23 -8.955 7.818 13.714 1.00 0.00 O ATOM 324 CB GLU A 23 -8.520 4.778 13.679 1.00 0.00 C ATOM 325 CG GLU A 23 -8.769 4.467 15.146 1.00 0.00 C ATOM 326 CD GLU A 23 -7.484 4.251 15.922 1.00 0.00 C ATOM 327 OE1 GLU A 23 -6.940 3.128 15.866 1.00 0.00 O ATOM 328 OE2 GLU A 23 -7.023 5.203 16.585 1.00 0.00 O ATOM 0 H GLU A 23 -8.328 5.821 11.400 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.565 5.061 13.082 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.417 3.842 13.130 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.573 5.309 13.584 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.329 5.286 15.597 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.391 3.575 15.224 1.00 0.00 H new ATOM 335 N GLY A 24 -10.897 7.035 14.536 1.00 0.00 N ATOM 336 CA GLY A 24 -11.159 8.240 15.301 1.00 0.00 C ATOM 337 C GLY A 24 -12.278 9.072 14.706 1.00 0.00 C ATOM 338 O GLY A 24 -13.162 9.540 15.425 1.00 0.00 O ATOM 0 H GLY A 24 -11.610 6.310 14.620 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.417 7.968 16.324 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.251 8.840 15.350 1.00 0.00 H new ATOM 342 N TYR A 25 -12.241 9.257 13.392 1.00 0.00 N ATOM 343 CA TYR A 25 -13.258 10.042 12.701 1.00 0.00 C ATOM 344 C TYR A 25 -14.659 9.612 13.126 1.00 0.00 C ATOM 345 O TYR A 25 -14.893 8.446 13.441 1.00 0.00 O ATOM 346 CB TYR A 25 -13.104 9.895 11.187 1.00 0.00 C ATOM 347 CG TYR A 25 -12.020 10.771 10.600 1.00 0.00 C ATOM 348 CD1 TYR A 25 -12.289 12.078 10.215 1.00 0.00 C ATOM 349 CD2 TYR A 25 -10.728 10.290 10.430 1.00 0.00 C ATOM 350 CE1 TYR A 25 -11.302 12.882 9.678 1.00 0.00 C ATOM 351 CE2 TYR A 25 -9.734 11.087 9.895 1.00 0.00 C ATOM 352 CZ TYR A 25 -10.026 12.382 9.521 1.00 0.00 C ATOM 353 OH TYR A 25 -9.039 13.179 8.987 1.00 0.00 O ATOM 0 H TYR A 25 -11.518 8.874 12.783 1.00 0.00 H new ATOM 0 HA TYR A 25 -13.121 11.089 12.973 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.885 8.853 10.952 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -14.053 10.136 10.709 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -13.287 12.473 10.337 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.496 9.276 10.721 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.528 13.896 9.383 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.734 10.698 9.770 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.448 13.900 8.464 1.00 0.00 H new ATOM 363 N GLN A 26 -15.587 10.563 13.130 1.00 0.00 N ATOM 364 CA GLN A 26 -16.965 10.284 13.515 1.00 0.00 C ATOM 365 C GLN A 26 -17.825 9.994 12.290 1.00 0.00 C ATOM 366 O GLN A 26 -17.550 10.486 11.195 1.00 0.00 O ATOM 367 CB GLN A 26 -17.548 11.464 14.294 1.00 0.00 C ATOM 368 CG GLN A 26 -16.957 11.627 15.685 1.00 0.00 C ATOM 369 CD GLN A 26 -17.042 13.054 16.192 1.00 0.00 C ATOM 370 OE1 GLN A 26 -17.662 13.323 17.221 1.00 0.00 O ATOM 371 NE2 GLN A 26 -16.417 13.977 15.471 1.00 0.00 N ATOM 0 H GLN A 26 -15.410 11.533 12.871 1.00 0.00 H new ATOM 0 HA GLN A 26 -16.965 9.400 14.153 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -17.381 12.380 13.728 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -18.627 11.334 14.380 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.480 10.968 16.377 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.914 11.312 15.672 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -15.915 13.709 14.624 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -16.439 14.954 15.764 1.00 0.00 H new ATOM 380 N HIS A 27 -18.867 9.191 12.481 1.00 0.00 N ATOM 381 CA HIS A 27 -19.768 8.836 11.390 1.00 0.00 C ATOM 382 C HIS A 27 -19.006 8.161 10.254 1.00 0.00 C ATOM 383 O HIS A 27 -19.429 8.201 9.098 1.00 0.00 O ATOM 384 CB HIS A 27 -20.488 10.080 10.869 1.00 0.00 C ATOM 385 CG HIS A 27 -21.483 10.645 11.836 1.00 0.00 C ATOM 386 ND1 HIS A 27 -22.829 10.351 11.789 1.00 0.00 N ATOM 387 CD2 HIS A 27 -21.320 11.491 12.880 1.00 0.00 C ATOM 388 CE1 HIS A 27 -23.451 10.993 12.762 1.00 0.00 C ATOM 389 NE2 HIS A 27 -22.558 11.691 13.439 1.00 0.00 N ATOM 0 H HIS A 27 -19.108 8.774 13.380 1.00 0.00 H new ATOM 0 HA HIS A 27 -20.507 8.134 11.776 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.749 10.845 10.632 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -20.999 9.831 9.939 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -20.389 11.927 13.212 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -24.510 10.953 12.968 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -22.756 12.283 14.246 1.00 0.00 H new ATOM 398 N VAL A 28 -17.878 7.542 10.589 1.00 0.00 N ATOM 399 CA VAL A 28 -17.057 6.859 9.598 1.00 0.00 C ATOM 400 C VAL A 28 -16.753 5.428 10.027 1.00 0.00 C ATOM 401 O VAL A 28 -15.854 5.188 10.832 1.00 0.00 O ATOM 402 CB VAL A 28 -15.730 7.604 9.358 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.835 6.813 8.416 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.994 8.998 8.811 1.00 0.00 C ATOM 0 H VAL A 28 -17.512 7.500 11.540 1.00 0.00 H new ATOM 0 HA VAL A 28 -17.629 6.843 8.670 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.212 7.705 10.312 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.903 7.355 8.259 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.618 5.838 8.853 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.342 6.678 7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -15.046 9.510 8.647 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -16.533 8.922 7.867 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.592 9.562 9.526 1.00 0.00 H new ATOM 414 N ASN A 29 -17.509 4.480 9.483 1.00 0.00 N ATOM 415 CA ASN A 29 -17.321 3.071 9.810 1.00 0.00 C ATOM 416 C ASN A 29 -16.864 2.285 8.585 1.00 0.00 C ATOM 417 O ASN A 29 -17.659 1.983 7.695 1.00 0.00 O ATOM 418 CB ASN A 29 -18.619 2.475 10.357 1.00 0.00 C ATOM 419 CG ASN A 29 -18.385 1.193 11.132 1.00 0.00 C ATOM 420 OD1 ASN A 29 -17.484 1.114 11.967 1.00 0.00 O ATOM 421 ND2 ASN A 29 -19.199 0.180 10.858 1.00 0.00 N ATOM 0 H ASN A 29 -18.257 4.662 8.814 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.547 3.001 10.574 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -19.106 3.204 11.005 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.301 2.277 9.530 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -19.091 -0.708 11.348 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -19.933 0.290 10.158 1.00 0.00 H new ATOM 428 N VAL A 30 -15.577 1.955 8.546 1.00 0.00 N ATOM 429 CA VAL A 30 -15.013 1.202 7.432 1.00 0.00 C ATOM 430 C VAL A 30 -15.012 -0.294 7.724 1.00 0.00 C ATOM 431 O VAL A 30 -14.230 -0.778 8.543 1.00 0.00 O ATOM 432 CB VAL A 30 -13.574 1.654 7.120 1.00 0.00 C ATOM 433 CG1 VAL A 30 -12.947 0.751 6.069 1.00 0.00 C ATOM 434 CG2 VAL A 30 -13.559 3.105 6.665 1.00 0.00 C ATOM 0 H VAL A 30 -14.905 2.198 9.274 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.644 1.400 6.565 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.981 1.577 8.032 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.931 1.086 5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.923 -0.274 6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.537 0.794 5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.535 3.408 6.449 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.166 3.211 5.766 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.966 3.738 7.454 1.00 0.00 H new ATOM 444 N THR A 31 -15.895 -1.024 7.049 1.00 0.00 N ATOM 445 CA THR A 31 -15.997 -2.466 7.236 1.00 0.00 C ATOM 446 C THR A 31 -15.707 -3.211 5.938 1.00 0.00 C ATOM 447 O THR A 31 -15.287 -4.368 5.956 1.00 0.00 O ATOM 448 CB THR A 31 -17.394 -2.869 7.745 1.00 0.00 C ATOM 449 OG1 THR A 31 -18.387 -2.525 6.772 1.00 0.00 O ATOM 450 CG2 THR A 31 -17.709 -2.180 9.064 1.00 0.00 C ATOM 0 H THR A 31 -16.550 -0.640 6.368 1.00 0.00 H new ATOM 0 HA THR A 31 -15.253 -2.741 7.983 1.00 0.00 H new ATOM 0 HB THR A 31 -17.401 -3.947 7.906 1.00 0.00 H new ATOM 0 HG1 THR A 31 -19.272 -2.786 7.102 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.700 -2.480 9.404 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.968 -2.466 9.810 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.685 -1.099 8.925 1.00 0.00 H new ATOM 458 N ASP A 32 -15.933 -2.540 4.814 1.00 0.00 N ATOM 459 CA ASP A 32 -15.694 -3.139 3.506 1.00 0.00 C ATOM 460 C ASP A 32 -14.917 -2.184 2.605 1.00 0.00 C ATOM 461 O ASP A 32 -14.499 -1.108 3.036 1.00 0.00 O ATOM 462 CB ASP A 32 -17.020 -3.519 2.845 1.00 0.00 C ATOM 463 CG ASP A 32 -16.861 -4.630 1.826 1.00 0.00 C ATOM 464 OD1 ASP A 32 -16.922 -5.812 2.224 1.00 0.00 O ATOM 465 OD2 ASP A 32 -16.676 -4.318 0.631 1.00 0.00 O ATOM 0 H ASP A 32 -16.281 -1.582 4.782 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.098 -4.040 3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.728 -3.832 3.612 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.445 -2.641 2.358 1.00 0.00 H new ATOM 470 N LEU A 33 -14.728 -2.583 1.352 1.00 0.00 N ATOM 471 CA LEU A 33 -14.000 -1.763 0.390 1.00 0.00 C ATOM 472 C LEU A 33 -14.879 -1.421 -0.809 1.00 0.00 C ATOM 473 O LEU A 33 -14.387 -1.242 -1.924 1.00 0.00 O ATOM 474 CB LEU A 33 -12.738 -2.490 -0.079 1.00 0.00 C ATOM 475 CG LEU A 33 -11.856 -3.079 1.021 1.00 0.00 C ATOM 476 CD1 LEU A 33 -10.962 -4.174 0.459 1.00 0.00 C ATOM 477 CD2 LEU A 33 -11.019 -1.989 1.676 1.00 0.00 C ATOM 0 H LEU A 33 -15.069 -3.469 0.979 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.714 -0.835 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.035 -3.296 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.138 -1.793 -0.664 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.502 -3.519 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.341 -4.582 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.579 -4.968 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.324 -3.758 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.397 -2.427 2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.382 -1.519 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.677 -1.239 2.115 1.00 0.00 H new ATOM 489 N THR A 34 -16.184 -1.330 -0.573 1.00 0.00 N ATOM 490 CA THR A 34 -17.132 -1.009 -1.632 1.00 0.00 C ATOM 491 C THR A 34 -18.022 0.164 -1.236 1.00 0.00 C ATOM 492 O THR A 34 -17.905 1.260 -1.786 1.00 0.00 O ATOM 493 CB THR A 34 -18.021 -2.219 -1.977 1.00 0.00 C ATOM 494 OG1 THR A 34 -18.310 -2.968 -0.791 1.00 0.00 O ATOM 495 CG2 THR A 34 -17.338 -3.118 -2.997 1.00 0.00 C ATOM 0 H THR A 34 -16.609 -1.474 0.343 1.00 0.00 H new ATOM 0 HA THR A 34 -16.545 -0.737 -2.509 1.00 0.00 H new ATOM 0 HB THR A 34 -18.951 -1.848 -2.408 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.584 -3.604 -0.621 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.984 -3.966 -3.225 1.00 0.00 H new ATOM 0 HG22 THR A 34 -17.145 -2.553 -3.909 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.395 -3.481 -2.589 1.00 0.00 H new ATOM 503 N THR A 35 -18.914 -0.072 -0.279 1.00 0.00 N ATOM 504 CA THR A 35 -19.824 0.965 0.191 1.00 0.00 C ATOM 505 C THR A 35 -19.147 1.870 1.213 1.00 0.00 C ATOM 506 O THR A 35 -19.482 3.048 1.331 1.00 0.00 O ATOM 507 CB THR A 35 -21.092 0.357 0.820 1.00 0.00 C ATOM 508 OG1 THR A 35 -21.883 1.387 1.422 1.00 0.00 O ATOM 509 CG2 THR A 35 -20.729 -0.687 1.866 1.00 0.00 C ATOM 0 H THR A 35 -19.026 -0.973 0.186 1.00 0.00 H new ATOM 0 HA THR A 35 -20.107 1.555 -0.681 1.00 0.00 H new ATOM 0 HB THR A 35 -21.667 -0.126 0.030 1.00 0.00 H new ATOM 0 HG1 THR A 35 -22.688 0.992 1.818 1.00 0.00 H new ATOM 0 HG21 THR A 35 -21.640 -1.103 2.297 1.00 0.00 H new ATOM 0 HG22 THR A 35 -20.152 -1.485 1.399 1.00 0.00 H new ATOM 0 HG23 THR A 35 -20.135 -0.222 2.653 1.00 0.00 H new ATOM 517 N SER A 36 -18.192 1.311 1.950 1.00 0.00 N ATOM 518 CA SER A 36 -17.469 2.068 2.966 1.00 0.00 C ATOM 519 C SER A 36 -16.766 3.273 2.348 1.00 0.00 C ATOM 520 O SER A 36 -16.343 4.188 3.054 1.00 0.00 O ATOM 521 CB SER A 36 -16.447 1.173 3.668 1.00 0.00 C ATOM 522 OG SER A 36 -17.085 0.263 4.548 1.00 0.00 O ATOM 0 H SER A 36 -17.901 0.337 1.863 1.00 0.00 H new ATOM 0 HA SER A 36 -18.192 2.427 3.699 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.871 0.622 2.925 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.742 1.789 4.226 1.00 0.00 H new ATOM 0 HG SER A 36 -17.448 0.751 5.316 1.00 0.00 H new ATOM 528 N TRP A 37 -16.647 3.266 1.025 1.00 0.00 N ATOM 529 CA TRP A 37 -15.995 4.358 0.311 1.00 0.00 C ATOM 530 C TRP A 37 -16.920 4.941 -0.752 1.00 0.00 C ATOM 531 O TRP A 37 -16.463 5.443 -1.778 1.00 0.00 O ATOM 532 CB TRP A 37 -14.699 3.870 -0.337 1.00 0.00 C ATOM 533 CG TRP A 37 -13.857 3.031 0.577 1.00 0.00 C ATOM 534 CD1 TRP A 37 -14.171 1.801 1.081 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.565 3.363 1.098 1.00 0.00 C ATOM 536 NE1 TRP A 37 -13.151 1.348 1.883 1.00 0.00 N ATOM 537 CE2 TRP A 37 -12.154 2.287 1.909 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.715 4.462 0.955 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.932 2.282 2.575 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.502 4.456 1.617 1.00 0.00 C ATOM 541 CH2 TRP A 37 -10.119 3.371 2.418 1.00 0.00 C ATOM 0 H TRP A 37 -16.993 2.517 0.425 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.760 5.141 1.032 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -14.942 3.292 -1.228 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -14.118 4.732 -0.665 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -15.086 1.264 0.879 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -13.138 0.457 2.379 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -12.001 5.301 0.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.636 1.448 3.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.838 5.302 1.516 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -9.164 3.395 2.921 1.00 0.00 H new ATOM 552 N ARG A 38 -18.223 4.872 -0.499 1.00 0.00 N ATOM 553 CA ARG A 38 -19.212 5.393 -1.435 1.00 0.00 C ATOM 554 C ARG A 38 -19.519 6.859 -1.142 1.00 0.00 C ATOM 555 O ARG A 38 -19.755 7.649 -2.056 1.00 0.00 O ATOM 556 CB ARG A 38 -20.498 4.568 -1.363 1.00 0.00 C ATOM 557 CG ARG A 38 -21.352 4.875 -0.144 1.00 0.00 C ATOM 558 CD ARG A 38 -22.516 3.904 -0.021 1.00 0.00 C ATOM 559 NE ARG A 38 -23.593 4.219 -0.955 1.00 0.00 N ATOM 560 CZ ARG A 38 -24.409 5.258 -0.813 1.00 0.00 C ATOM 561 NH1 ARG A 38 -24.270 6.078 0.219 1.00 0.00 N ATOM 562 NH2 ARG A 38 -25.365 5.479 -1.706 1.00 0.00 N ATOM 0 H ARG A 38 -18.618 4.460 0.346 1.00 0.00 H new ATOM 0 HA ARG A 38 -18.797 5.320 -2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -21.086 4.749 -2.263 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.240 3.509 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.737 4.824 0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.732 5.894 -0.212 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -22.162 2.889 -0.204 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -22.902 3.928 0.998 1.00 0.00 H new ATOM 0 HE ARG A 38 -23.726 3.608 -1.761 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -23.535 5.912 0.907 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -24.898 6.875 0.325 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -25.474 4.851 -2.502 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -25.991 6.277 -1.596 1.00 0.00 H new ATOM 576 N SER A 39 -19.514 7.215 0.139 1.00 0.00 N ATOM 577 CA SER A 39 -19.796 8.584 0.553 1.00 0.00 C ATOM 578 C SER A 39 -18.594 9.488 0.296 1.00 0.00 C ATOM 579 O SER A 39 -18.746 10.653 -0.066 1.00 0.00 O ATOM 580 CB SER A 39 -20.171 8.624 2.036 1.00 0.00 C ATOM 581 OG SER A 39 -20.425 9.951 2.462 1.00 0.00 O ATOM 0 H SER A 39 -19.318 6.574 0.908 1.00 0.00 H new ATOM 0 HA SER A 39 -20.636 8.950 -0.037 1.00 0.00 H new ATOM 0 HB2 SER A 39 -21.054 8.008 2.208 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.364 8.196 2.630 1.00 0.00 H new ATOM 0 HG SER A 39 -20.664 9.949 3.412 1.00 0.00 H new ATOM 587 N GLY A 40 -17.398 8.940 0.488 1.00 0.00 N ATOM 588 CA GLY A 40 -16.186 9.709 0.273 1.00 0.00 C ATOM 589 C GLY A 40 -15.496 10.078 1.571 1.00 0.00 C ATOM 590 O GLY A 40 -14.302 10.381 1.583 1.00 0.00 O ATOM 0 H GLY A 40 -17.247 7.977 0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.500 9.134 -0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.429 10.618 -0.277 1.00 0.00 H new ATOM 594 N LEU A 41 -16.246 10.053 2.666 1.00 0.00 N ATOM 595 CA LEU A 41 -15.699 10.388 3.976 1.00 0.00 C ATOM 596 C LEU A 41 -14.608 9.402 4.380 1.00 0.00 C ATOM 597 O LEU A 41 -13.839 9.657 5.307 1.00 0.00 O ATOM 598 CB LEU A 41 -16.810 10.395 5.028 1.00 0.00 C ATOM 599 CG LEU A 41 -18.027 11.266 4.713 1.00 0.00 C ATOM 600 CD1 LEU A 41 -19.144 11.002 5.711 1.00 0.00 C ATOM 601 CD2 LEU A 41 -17.644 12.739 4.716 1.00 0.00 C ATOM 0 H LEU A 41 -17.235 9.804 2.673 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.259 11.383 3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -17.150 9.370 5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.385 10.729 5.975 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.388 11.007 3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -20.002 11.630 5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.437 9.953 5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.795 11.233 6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.522 13.344 4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.258 13.013 5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.877 12.917 3.962 1.00 0.00 H new ATOM 613 N ALA A 42 -14.545 8.277 3.675 1.00 0.00 N ATOM 614 CA ALA A 42 -13.544 7.255 3.957 1.00 0.00 C ATOM 615 C ALA A 42 -12.163 7.694 3.485 1.00 0.00 C ATOM 616 O ALA A 42 -11.227 7.797 4.280 1.00 0.00 O ATOM 617 CB ALA A 42 -13.935 5.939 3.300 1.00 0.00 C ATOM 0 H ALA A 42 -15.175 8.050 2.905 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.501 7.111 5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.179 5.185 3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.899 5.610 3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.008 6.078 2.221 1.00 0.00 H new ATOM 623 N LEU A 43 -12.040 7.950 2.187 1.00 0.00 N ATOM 624 CA LEU A 43 -10.771 8.378 1.608 1.00 0.00 C ATOM 625 C LEU A 43 -10.419 9.794 2.054 1.00 0.00 C ATOM 626 O LEU A 43 -9.277 10.074 2.422 1.00 0.00 O ATOM 627 CB LEU A 43 -10.837 8.313 0.082 1.00 0.00 C ATOM 628 CG LEU A 43 -9.562 8.713 -0.663 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.426 7.760 -0.326 1.00 0.00 C ATOM 630 CD2 LEU A 43 -9.808 8.744 -2.164 1.00 0.00 C ATOM 0 H LEU A 43 -12.804 7.869 1.516 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.992 7.702 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.099 7.295 -0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.648 8.959 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.276 9.715 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.527 8.060 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.233 7.789 0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.703 6.747 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.890 9.030 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.120 7.756 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.591 9.468 -2.390 1.00 0.00 H new ATOM 642 N CYS A 44 -11.406 10.682 2.020 1.00 0.00 N ATOM 643 CA CYS A 44 -11.201 12.069 2.422 1.00 0.00 C ATOM 644 C CYS A 44 -10.597 12.146 3.820 1.00 0.00 C ATOM 645 O CYS A 44 -9.849 13.072 4.133 1.00 0.00 O ATOM 646 CB CYS A 44 -12.525 12.834 2.382 1.00 0.00 C ATOM 647 SG CYS A 44 -13.283 12.913 0.743 1.00 0.00 S ATOM 0 H CYS A 44 -12.356 10.466 1.718 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.504 12.526 1.719 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.225 12.363 3.072 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.357 13.849 2.742 1.00 0.00 H new ATOM 0 HG CYS A 44 -13.953 11.821 0.521 1.00 0.00 H new ATOM 653 N ALA A 45 -10.927 11.168 4.657 1.00 0.00 N ATOM 654 CA ALA A 45 -10.417 11.125 6.021 1.00 0.00 C ATOM 655 C ALA A 45 -8.913 10.870 6.037 1.00 0.00 C ATOM 656 O ALA A 45 -8.164 11.564 6.725 1.00 0.00 O ATOM 657 CB ALA A 45 -11.144 10.057 6.824 1.00 0.00 C ATOM 0 H ALA A 45 -11.546 10.394 4.414 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.600 12.096 6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.752 10.037 7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.210 10.284 6.850 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.992 9.084 6.357 1.00 0.00 H new ATOM 663 N ILE A 46 -8.479 9.871 5.276 1.00 0.00 N ATOM 664 CA ILE A 46 -7.065 9.526 5.203 1.00 0.00 C ATOM 665 C ILE A 46 -6.234 10.710 4.722 1.00 0.00 C ATOM 666 O ILE A 46 -5.132 10.949 5.216 1.00 0.00 O ATOM 667 CB ILE A 46 -6.826 8.329 4.264 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.631 7.115 4.732 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.343 7.995 4.199 1.00 0.00 C ATOM 670 CD1 ILE A 46 -7.731 6.020 3.695 1.00 0.00 C ATOM 0 H ILE A 46 -9.086 9.287 4.701 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.754 9.254 6.212 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.162 8.599 3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.171 6.710 5.633 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.635 7.439 5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.190 7.147 3.532 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.792 8.857 3.823 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.983 7.741 5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.315 5.192 4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.219 6.409 2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.731 5.669 3.439 1.00 0.00 H new ATOM 682 N ILE A 47 -6.770 11.449 3.757 1.00 0.00 N ATOM 683 CA ILE A 47 -6.079 12.610 3.211 1.00 0.00 C ATOM 684 C ILE A 47 -6.088 13.771 4.200 1.00 0.00 C ATOM 685 O ILE A 47 -5.043 14.343 4.512 1.00 0.00 O ATOM 686 CB ILE A 47 -6.716 13.074 1.888 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.773 11.915 0.890 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.937 14.244 1.306 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.776 12.125 -0.223 1.00 0.00 C ATOM 0 H ILE A 47 -7.681 11.264 3.337 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.050 12.304 3.022 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.735 13.406 2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.784 11.772 0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.022 10.998 1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.400 14.560 0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.944 15.073 2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.908 13.938 1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.762 11.265 -0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.773 12.238 0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.516 13.024 -0.782 1.00 0.00 H new ATOM 701 N HIS A 48 -7.275 14.112 4.693 1.00 0.00 N ATOM 702 CA HIS A 48 -7.420 15.203 5.651 1.00 0.00 C ATOM 703 C HIS A 48 -6.768 14.846 6.983 1.00 0.00 C ATOM 704 O HIS A 48 -6.529 15.717 7.820 1.00 0.00 O ATOM 705 CB HIS A 48 -8.898 15.529 5.864 1.00 0.00 C ATOM 706 CG HIS A 48 -9.173 16.252 7.146 1.00 0.00 C ATOM 707 ND1 HIS A 48 -9.951 15.725 8.155 1.00 0.00 N ATOM 708 CD2 HIS A 48 -8.767 17.468 7.581 1.00 0.00 C ATOM 709 CE1 HIS A 48 -10.013 16.587 9.155 1.00 0.00 C ATOM 710 NE2 HIS A 48 -9.303 17.652 8.832 1.00 0.00 N ATOM 0 H HIS A 48 -8.149 13.649 4.445 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.917 16.081 5.244 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.251 16.137 5.031 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -9.472 14.602 5.849 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.139 18.164 7.044 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.553 16.444 10.079 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.173 18.478 9.417 1.00 0.00 H new ATOM 719 N ARG A 49 -6.484 13.562 7.173 1.00 0.00 N ATOM 720 CA ARG A 49 -5.862 13.091 8.405 1.00 0.00 C ATOM 721 C ARG A 49 -4.376 13.434 8.429 1.00 0.00 C ATOM 722 O ARG A 49 -3.896 14.097 9.349 1.00 0.00 O ATOM 723 CB ARG A 49 -6.050 11.580 8.550 1.00 0.00 C ATOM 724 CG ARG A 49 -5.137 10.950 9.590 1.00 0.00 C ATOM 725 CD ARG A 49 -5.596 11.274 11.003 1.00 0.00 C ATOM 726 NE ARG A 49 -4.481 11.314 11.945 1.00 0.00 N ATOM 727 CZ ARG A 49 -3.962 10.232 12.516 1.00 0.00 C ATOM 728 NH1 ARG A 49 -4.455 9.032 12.241 1.00 0.00 N ATOM 729 NH2 ARG A 49 -2.947 10.349 13.363 1.00 0.00 N ATOM 0 H ARG A 49 -6.675 12.829 6.490 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.347 13.593 9.243 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.087 11.375 8.817 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.870 11.106 7.585 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.117 9.869 9.451 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.118 11.308 9.446 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.108 12.236 11.006 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.320 10.527 11.329 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.079 12.222 12.177 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.234 8.938 11.590 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.055 8.203 12.681 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.564 11.270 13.576 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.550 9.518 13.801 1.00 0.00 H new ATOM 743 N PHE A 50 -3.652 12.979 7.412 1.00 0.00 N ATOM 744 CA PHE A 50 -2.220 13.237 7.317 1.00 0.00 C ATOM 745 C PHE A 50 -1.954 14.641 6.784 1.00 0.00 C ATOM 746 O PHE A 50 -1.035 15.325 7.235 1.00 0.00 O ATOM 747 CB PHE A 50 -1.552 12.200 6.411 1.00 0.00 C ATOM 748 CG PHE A 50 -1.430 12.644 4.981 1.00 0.00 C ATOM 749 CD1 PHE A 50 -0.335 13.382 4.563 1.00 0.00 C ATOM 750 CD2 PHE A 50 -2.410 12.323 4.056 1.00 0.00 C ATOM 751 CE1 PHE A 50 -0.218 13.791 3.248 1.00 0.00 C ATOM 752 CE2 PHE A 50 -2.300 12.730 2.740 1.00 0.00 C ATOM 753 CZ PHE A 50 -1.203 13.466 2.336 1.00 0.00 C ATOM 0 H PHE A 50 -4.033 12.430 6.642 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.796 13.161 8.318 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.559 11.976 6.800 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.125 11.274 6.448 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.437 13.641 5.273 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.270 11.748 4.367 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.642 14.364 2.934 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.071 12.473 2.028 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.116 13.787 1.308 1.00 0.00 H new ATOM 763 N ARG A 51 -2.765 15.065 5.820 1.00 0.00 N ATOM 764 CA ARG A 51 -2.617 16.387 5.223 1.00 0.00 C ATOM 765 C ARG A 51 -3.971 17.078 5.089 1.00 0.00 C ATOM 766 O ARG A 51 -4.659 16.958 4.075 1.00 0.00 O ATOM 767 CB ARG A 51 -1.950 16.278 3.851 1.00 0.00 C ATOM 768 CG ARG A 51 -0.439 16.441 3.893 1.00 0.00 C ATOM 769 CD ARG A 51 -0.042 17.847 4.314 1.00 0.00 C ATOM 770 NE ARG A 51 0.015 17.988 5.767 1.00 0.00 N ATOM 771 CZ ARG A 51 1.002 17.505 6.514 1.00 0.00 C ATOM 772 NH1 ARG A 51 2.009 16.855 5.948 1.00 0.00 N ATOM 773 NH2 ARG A 51 0.983 17.674 7.830 1.00 0.00 N ATOM 0 H ARG A 51 -3.531 14.512 5.436 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.986 16.986 5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.190 15.308 3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.370 17.037 3.191 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.013 15.718 4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.021 16.223 2.910 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.931 18.092 3.888 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.757 18.562 3.908 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.744 18.484 6.233 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.028 16.725 4.937 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.765 16.485 6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.210 18.175 8.269 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.741 17.303 8.403 1.00 0.00 H new ATOM 787 N PRO A 52 -4.364 17.818 6.136 1.00 0.00 N ATOM 788 CA PRO A 52 -5.638 18.542 6.160 1.00 0.00 C ATOM 789 C PRO A 52 -5.652 19.723 5.195 1.00 0.00 C ATOM 790 O PRO A 52 -6.713 20.165 4.756 1.00 0.00 O ATOM 791 CB PRO A 52 -5.741 19.032 7.606 1.00 0.00 C ATOM 792 CG PRO A 52 -4.331 19.112 8.080 1.00 0.00 C ATOM 793 CD PRO A 52 -3.595 18.005 7.378 1.00 0.00 C ATOM 0 HA PRO A 52 -6.471 17.911 5.849 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.233 20.003 7.661 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.326 18.344 8.217 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.894 20.082 7.844 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.276 18.993 9.162 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.560 18.278 7.172 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.572 17.095 7.977 1.00 0.00 H new ATOM 801 N GLU A 53 -4.466 20.228 4.869 1.00 0.00 N ATOM 802 CA GLU A 53 -4.344 21.359 3.956 1.00 0.00 C ATOM 803 C GLU A 53 -4.961 21.032 2.600 1.00 0.00 C ATOM 804 O GLU A 53 -5.423 21.922 1.884 1.00 0.00 O ATOM 805 CB GLU A 53 -2.873 21.744 3.780 1.00 0.00 C ATOM 806 CG GLU A 53 -2.600 22.541 2.516 1.00 0.00 C ATOM 807 CD GLU A 53 -3.245 23.913 2.541 1.00 0.00 C ATOM 808 OE1 GLU A 53 -3.262 24.542 3.620 1.00 0.00 O ATOM 809 OE2 GLU A 53 -3.732 24.358 1.481 1.00 0.00 O ATOM 0 H GLU A 53 -3.578 19.873 5.223 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.884 22.202 4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.553 22.327 4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.268 20.837 3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.523 22.652 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.969 21.986 1.654 1.00 0.00 H new ATOM 816 N LEU A 54 -4.965 19.750 2.251 1.00 0.00 N ATOM 817 CA LEU A 54 -5.524 19.304 0.980 1.00 0.00 C ATOM 818 C LEU A 54 -7.038 19.145 1.078 1.00 0.00 C ATOM 819 O LEU A 54 -7.779 19.619 0.215 1.00 0.00 O ATOM 820 CB LEU A 54 -4.887 17.979 0.557 1.00 0.00 C ATOM 821 CG LEU A 54 -3.361 17.920 0.614 1.00 0.00 C ATOM 822 CD1 LEU A 54 -2.877 16.485 0.480 1.00 0.00 C ATOM 823 CD2 LEU A 54 -2.752 18.794 -0.474 1.00 0.00 C ATOM 0 H LEU A 54 -4.587 19.001 2.831 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.304 20.062 0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.285 17.188 1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.201 17.757 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.038 18.302 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.788 16.463 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.284 15.886 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.211 16.076 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.665 18.740 -0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.083 18.442 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.071 19.826 -0.333 1.00 0.00 H new ATOM 835 N ILE A 55 -7.491 18.478 2.134 1.00 0.00 N ATOM 836 CA ILE A 55 -8.917 18.260 2.345 1.00 0.00 C ATOM 837 C ILE A 55 -9.325 18.633 3.766 1.00 0.00 C ATOM 838 O ILE A 55 -8.536 18.511 4.702 1.00 0.00 O ATOM 839 CB ILE A 55 -9.308 16.794 2.079 1.00 0.00 C ATOM 840 CG1 ILE A 55 -8.859 16.370 0.679 1.00 0.00 C ATOM 841 CG2 ILE A 55 -10.810 16.609 2.239 1.00 0.00 C ATOM 842 CD1 ILE A 55 -9.575 15.143 0.161 1.00 0.00 C ATOM 0 H ILE A 55 -6.892 18.079 2.857 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.443 18.902 1.638 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.804 16.160 2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.024 17.196 -0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.787 16.176 0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.071 15.568 2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.103 16.876 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.333 17.250 1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.207 14.900 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.389 14.303 0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.646 15.340 0.114 1.00 0.00 H new ATOM 854 N ASN A 56 -10.565 19.087 3.920 1.00 0.00 N ATOM 855 CA ASN A 56 -11.079 19.477 5.228 1.00 0.00 C ATOM 856 C ASN A 56 -12.439 18.837 5.491 1.00 0.00 C ATOM 857 O ASN A 56 -13.463 19.304 4.992 1.00 0.00 O ATOM 858 CB ASN A 56 -11.193 21.000 5.321 1.00 0.00 C ATOM 859 CG ASN A 56 -11.468 21.642 3.975 1.00 0.00 C ATOM 860 OD1 ASN A 56 -12.406 21.071 3.227 1.00 0.00 O flip ATOM 861 ND2 ASN A 56 -10.845 22.640 3.612 1.00 0.00 N flip ATOM 0 H ASN A 56 -11.232 19.194 3.156 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.379 19.125 5.986 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.992 21.260 6.015 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.269 21.406 5.732 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.133 23.045 4.219 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.041 23.061 2.704 1.00 0.00 H new ATOM 868 N PHE A 57 -12.440 17.766 6.277 1.00 0.00 N ATOM 869 CA PHE A 57 -13.674 17.061 6.606 1.00 0.00 C ATOM 870 C PHE A 57 -14.756 18.038 7.056 1.00 0.00 C ATOM 871 O PHE A 57 -15.919 17.913 6.673 1.00 0.00 O ATOM 872 CB PHE A 57 -13.418 16.026 7.704 1.00 0.00 C ATOM 873 CG PHE A 57 -14.400 14.890 7.698 1.00 0.00 C ATOM 874 CD1 PHE A 57 -15.636 15.022 8.309 1.00 0.00 C ATOM 875 CD2 PHE A 57 -14.086 13.689 7.081 1.00 0.00 C ATOM 876 CE1 PHE A 57 -16.541 13.978 8.305 1.00 0.00 C ATOM 877 CE2 PHE A 57 -14.988 12.642 7.074 1.00 0.00 C ATOM 878 CZ PHE A 57 -16.217 12.786 7.686 1.00 0.00 C ATOM 0 H PHE A 57 -11.601 17.367 6.698 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.021 16.550 5.708 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.411 15.626 7.587 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.454 16.521 8.674 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -15.895 15.951 8.794 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.126 13.570 6.601 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -17.501 14.094 8.786 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.731 11.711 6.590 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.923 11.969 7.681 1.00 0.00 H new ATOM 888 N ASP A 58 -14.363 19.012 7.870 1.00 0.00 N ATOM 889 CA ASP A 58 -15.299 20.012 8.372 1.00 0.00 C ATOM 890 C ASP A 58 -16.214 20.508 7.257 1.00 0.00 C ATOM 891 O ASP A 58 -17.426 20.624 7.441 1.00 0.00 O ATOM 892 CB ASP A 58 -14.539 21.188 8.987 1.00 0.00 C ATOM 893 CG ASP A 58 -13.476 20.740 9.971 1.00 0.00 C ATOM 894 OD1 ASP A 58 -13.813 19.984 10.906 1.00 0.00 O ATOM 895 OD2 ASP A 58 -12.306 21.145 9.805 1.00 0.00 O ATOM 0 H ASP A 58 -13.404 19.130 8.196 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.914 19.545 9.141 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.072 21.770 8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.244 21.847 9.493 1.00 0.00 H new ATOM 900 N SER A 59 -15.625 20.802 6.102 1.00 0.00 N ATOM 901 CA SER A 59 -16.387 21.290 4.959 1.00 0.00 C ATOM 902 C SER A 59 -17.078 20.139 4.234 1.00 0.00 C ATOM 903 O SER A 59 -18.057 20.341 3.514 1.00 0.00 O ATOM 904 CB SER A 59 -15.470 22.040 3.991 1.00 0.00 C ATOM 905 OG SER A 59 -14.965 23.226 4.581 1.00 0.00 O ATOM 0 H SER A 59 -14.623 20.711 5.933 1.00 0.00 H new ATOM 0 HA SER A 59 -17.151 21.974 5.329 1.00 0.00 H new ATOM 0 HB2 SER A 59 -14.642 21.395 3.697 1.00 0.00 H new ATOM 0 HB3 SER A 59 -16.019 22.288 3.083 1.00 0.00 H new ATOM 0 HG SER A 59 -14.381 23.686 3.943 1.00 0.00 H new ATOM 911 N LEU A 60 -16.561 18.931 4.429 1.00 0.00 N ATOM 912 CA LEU A 60 -17.127 17.746 3.794 1.00 0.00 C ATOM 913 C LEU A 60 -18.465 17.376 4.426 1.00 0.00 C ATOM 914 O LEU A 60 -18.537 17.067 5.614 1.00 0.00 O ATOM 915 CB LEU A 60 -16.155 16.570 3.907 1.00 0.00 C ATOM 916 CG LEU A 60 -14.784 16.768 3.259 1.00 0.00 C ATOM 917 CD1 LEU A 60 -13.938 15.513 3.407 1.00 0.00 C ATOM 918 CD2 LEU A 60 -14.936 17.141 1.792 1.00 0.00 C ATOM 0 H LEU A 60 -15.751 18.746 5.021 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.294 17.973 2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.007 16.347 4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.623 15.693 3.459 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.277 17.586 3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.966 15.672 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.800 15.290 4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.441 14.676 2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.950 17.278 1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.464 16.345 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.503 18.068 1.709 1.00 0.00 H new ATOM 930 N ASN A 61 -19.523 17.409 3.621 1.00 0.00 N ATOM 931 CA ASN A 61 -20.859 17.076 4.101 1.00 0.00 C ATOM 932 C ASN A 61 -21.262 15.673 3.658 1.00 0.00 C ATOM 933 O ASN A 61 -21.311 15.380 2.464 1.00 0.00 O ATOM 934 CB ASN A 61 -21.877 18.097 3.589 1.00 0.00 C ATOM 935 CG ASN A 61 -23.259 17.499 3.416 1.00 0.00 C ATOM 936 OD1 ASN A 61 -23.691 16.666 4.214 1.00 0.00 O ATOM 937 ND2 ASN A 61 -23.961 17.922 2.371 1.00 0.00 N ATOM 0 H ASN A 61 -19.480 17.663 2.634 1.00 0.00 H new ATOM 0 HA ASN A 61 -20.844 17.103 5.191 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -21.931 18.933 4.286 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -21.536 18.499 2.635 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -24.898 17.555 2.204 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -23.563 18.614 1.736 1.00 0.00 H new ATOM 944 N GLU A 62 -21.550 14.812 4.629 1.00 0.00 N ATOM 945 CA GLU A 62 -21.949 13.440 4.338 1.00 0.00 C ATOM 946 C GLU A 62 -22.958 13.397 3.194 1.00 0.00 C ATOM 947 O GLU A 62 -22.813 12.617 2.253 1.00 0.00 O ATOM 948 CB GLU A 62 -22.546 12.784 5.584 1.00 0.00 C ATOM 949 CG GLU A 62 -23.716 13.552 6.175 1.00 0.00 C ATOM 950 CD GLU A 62 -23.864 13.332 7.668 1.00 0.00 C ATOM 951 OE1 GLU A 62 -22.977 13.778 8.426 1.00 0.00 O ATOM 952 OE2 GLU A 62 -24.869 12.713 8.079 1.00 0.00 O ATOM 0 H GLU A 62 -21.515 15.040 5.623 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.060 12.887 4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.875 11.776 5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -21.768 12.685 6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -23.583 14.616 5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -24.635 13.248 5.674 1.00 0.00 H new ATOM 959 N ASP A 63 -23.981 14.240 3.284 1.00 0.00 N ATOM 960 CA ASP A 63 -25.015 14.301 2.257 1.00 0.00 C ATOM 961 C ASP A 63 -24.413 14.655 0.901 1.00 0.00 C ATOM 962 O ASP A 63 -24.925 14.247 -0.142 1.00 0.00 O ATOM 963 CB ASP A 63 -26.084 15.326 2.639 1.00 0.00 C ATOM 964 CG ASP A 63 -27.208 14.715 3.452 1.00 0.00 C ATOM 965 OD1 ASP A 63 -27.506 13.519 3.247 1.00 0.00 O ATOM 966 OD2 ASP A 63 -27.790 15.432 4.293 1.00 0.00 O ATOM 0 H ASP A 63 -24.116 14.891 4.058 1.00 0.00 H new ATOM 0 HA ASP A 63 -25.478 13.317 2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -25.623 16.132 3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -26.495 15.772 1.734 1.00 0.00 H new ATOM 971 N ASP A 64 -23.326 15.418 0.922 1.00 0.00 N ATOM 972 CA ASP A 64 -22.655 15.829 -0.306 1.00 0.00 C ATOM 973 C ASP A 64 -21.666 14.763 -0.766 1.00 0.00 C ATOM 974 O ASP A 64 -20.469 15.024 -0.888 1.00 0.00 O ATOM 975 CB ASP A 64 -21.930 17.159 -0.096 1.00 0.00 C ATOM 976 CG ASP A 64 -22.829 18.354 -0.345 1.00 0.00 C ATOM 977 OD1 ASP A 64 -24.062 18.209 -0.205 1.00 0.00 O ATOM 978 OD2 ASP A 64 -22.300 19.434 -0.678 1.00 0.00 O ATOM 0 H ASP A 64 -22.890 15.765 1.777 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.412 15.956 -1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.546 17.203 0.923 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -21.070 17.210 -0.763 1.00 0.00 H new ATOM 983 N ALA A 65 -22.174 13.561 -1.019 1.00 0.00 N ATOM 984 CA ALA A 65 -21.335 12.456 -1.466 1.00 0.00 C ATOM 985 C ALA A 65 -20.712 12.755 -2.826 1.00 0.00 C ATOM 986 O ALA A 65 -19.511 12.572 -3.023 1.00 0.00 O ATOM 987 CB ALA A 65 -22.145 11.169 -1.527 1.00 0.00 C ATOM 0 H ALA A 65 -23.162 13.328 -0.922 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.528 12.331 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.506 10.352 -1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.538 10.939 -0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -22.972 11.293 -2.226 1.00 0.00 H new ATOM 993 N VAL A 66 -21.536 13.217 -3.761 1.00 0.00 N ATOM 994 CA VAL A 66 -21.065 13.542 -5.102 1.00 0.00 C ATOM 995 C VAL A 66 -19.866 14.481 -5.050 1.00 0.00 C ATOM 996 O VAL A 66 -18.823 14.204 -5.641 1.00 0.00 O ATOM 997 CB VAL A 66 -22.178 14.194 -5.944 1.00 0.00 C ATOM 998 CG1 VAL A 66 -21.658 14.556 -7.327 1.00 0.00 C ATOM 999 CG2 VAL A 66 -23.382 13.269 -6.043 1.00 0.00 C ATOM 0 H VAL A 66 -22.533 13.375 -3.614 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.768 12.604 -5.570 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.494 15.112 -5.449 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -22.458 15.015 -7.908 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.829 15.258 -7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -21.314 13.654 -7.834 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -24.159 13.745 -6.641 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -23.084 12.333 -6.515 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.767 13.065 -5.044 1.00 0.00 H new ATOM 1009 N GLU A 67 -20.022 15.594 -4.339 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.950 16.574 -4.211 1.00 0.00 C ATOM 1011 C GLU A 67 -17.784 16.005 -3.408 1.00 0.00 C ATOM 1012 O GLU A 67 -16.624 16.150 -3.790 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.471 17.848 -3.541 1.00 0.00 C ATOM 1014 CG GLU A 67 -20.456 18.626 -4.397 1.00 0.00 C ATOM 1015 CD GLU A 67 -19.848 19.096 -5.705 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -18.724 19.639 -5.674 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -20.496 18.921 -6.758 1.00 0.00 O ATOM 0 H GLU A 67 -20.879 15.839 -3.844 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.594 16.817 -5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.951 17.583 -2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.626 18.492 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -21.322 17.999 -4.608 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.816 19.489 -3.837 1.00 0.00 H new ATOM 1024 N ASN A 68 -18.103 15.356 -2.293 1.00 0.00 N ATOM 1025 CA ASN A 68 -17.082 14.765 -1.434 1.00 0.00 C ATOM 1026 C ASN A 68 -16.127 13.895 -2.245 1.00 0.00 C ATOM 1027 O ASN A 68 -14.919 14.124 -2.255 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.736 13.933 -0.329 1.00 0.00 C ATOM 1029 CG ASN A 68 -18.368 14.795 0.747 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -18.105 15.995 0.830 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -19.206 14.185 1.577 1.00 0.00 N ATOM 0 H ASN A 68 -19.059 15.226 -1.963 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.510 15.574 -0.980 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.497 13.287 -0.767 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.988 13.283 0.123 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.662 14.713 2.321 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.394 13.188 1.470 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.679 12.894 -2.924 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.877 11.989 -3.738 1.00 0.00 C ATOM 1040 C ASN A 69 -15.044 12.764 -4.754 1.00 0.00 C ATOM 1041 O ASN A 69 -13.814 12.752 -4.701 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.778 10.985 -4.460 1.00 0.00 C ATOM 1043 CG ASN A 69 -17.507 10.066 -3.499 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.885 9.298 -2.765 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.833 10.142 -3.499 1.00 0.00 N ATOM 0 H ASN A 69 -17.678 12.690 -2.926 1.00 0.00 H new ATOM 0 HA ASN A 69 -15.200 11.449 -3.076 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.506 11.525 -5.065 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -16.176 10.387 -5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -19.378 9.549 -2.873 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -19.306 10.794 -4.125 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.722 13.437 -5.677 1.00 0.00 N ATOM 1053 CA GLN A 70 -15.045 14.218 -6.705 1.00 0.00 C ATOM 1054 C GLN A 70 -13.846 14.960 -6.124 1.00 0.00 C ATOM 1055 O GLN A 70 -12.751 14.930 -6.687 1.00 0.00 O ATOM 1056 CB GLN A 70 -16.015 15.214 -7.342 1.00 0.00 C ATOM 1057 CG GLN A 70 -15.661 15.578 -8.775 1.00 0.00 C ATOM 1058 CD GLN A 70 -15.296 14.368 -9.612 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -16.142 13.522 -9.901 1.00 0.00 O ATOM 1060 NE2 GLN A 70 -14.031 14.280 -10.006 1.00 0.00 N ATOM 0 H GLN A 70 -16.740 13.457 -5.734 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.688 13.529 -7.471 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -17.020 14.793 -7.321 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -16.037 16.123 -6.740 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.506 16.091 -9.235 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.826 16.278 -8.772 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.363 15.005 -9.743 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.727 13.488 -10.572 1.00 0.00 H new ATOM 1069 N LEU A 71 -14.059 15.624 -4.993 1.00 0.00 N ATOM 1070 CA LEU A 71 -12.996 16.374 -4.334 1.00 0.00 C ATOM 1071 C LEU A 71 -11.773 15.493 -4.098 1.00 0.00 C ATOM 1072 O LEU A 71 -10.725 15.691 -4.713 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.494 16.942 -3.004 1.00 0.00 C ATOM 1074 CG LEU A 71 -12.479 17.756 -2.200 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -12.103 19.027 -2.946 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -13.035 18.089 -0.823 1.00 0.00 C ATOM 0 H LEU A 71 -14.959 15.658 -4.513 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.707 17.197 -4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.360 17.573 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.838 16.114 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.579 17.155 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.380 19.593 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.664 18.767 -3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.995 19.633 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.300 18.668 -0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.950 18.671 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.254 17.166 -0.286 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.916 14.519 -3.206 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.825 13.605 -2.892 1.00 0.00 C ATOM 1090 C ALA A 72 -10.087 13.176 -4.155 1.00 0.00 C ATOM 1091 O ALA A 72 -8.860 13.247 -4.224 1.00 0.00 O ATOM 1092 CB ALA A 72 -11.354 12.387 -2.148 1.00 0.00 C ATOM 0 H ALA A 72 -12.777 14.342 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.118 14.130 -2.250 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.528 11.713 -1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.829 12.705 -1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.084 11.869 -2.770 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.842 12.730 -5.154 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.259 12.288 -6.415 1.00 0.00 C ATOM 1100 C PHE A 73 -9.429 13.400 -7.049 1.00 0.00 C ATOM 1101 O PHE A 73 -8.290 13.180 -7.462 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.359 11.843 -7.381 1.00 0.00 C ATOM 1103 CG PHE A 73 -12.265 10.789 -6.813 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.797 9.888 -5.870 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.586 10.698 -7.222 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -12.628 8.917 -5.345 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -14.422 9.729 -6.701 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.943 8.837 -5.762 1.00 0.00 C ATOM 0 H PHE A 73 -11.859 12.665 -5.114 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.603 11.442 -6.207 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.956 12.710 -7.664 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.899 11.462 -8.293 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.770 9.945 -5.541 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.966 11.392 -7.956 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.250 8.222 -4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.450 9.669 -7.028 1.00 0.00 H new ATOM 0 HZ PHE A 73 -14.595 8.078 -5.354 1.00 0.00 H new ATOM 1118 N ASP A 74 -10.007 14.593 -7.124 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.321 15.740 -7.707 1.00 0.00 C ATOM 1120 C ASP A 74 -8.023 16.034 -6.962 1.00 0.00 C ATOM 1121 O ASP A 74 -6.984 16.277 -7.577 1.00 0.00 O ATOM 1122 CB ASP A 74 -10.229 16.972 -7.680 1.00 0.00 C ATOM 1123 CG ASP A 74 -9.842 17.998 -8.727 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -9.496 17.593 -9.857 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -9.887 19.207 -8.416 1.00 0.00 O ATOM 0 H ASP A 74 -10.949 14.791 -6.788 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.078 15.499 -8.742 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.261 16.663 -7.842 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.185 17.431 -6.692 1.00 0.00 H new ATOM 1130 N VAL A 75 -8.090 16.010 -5.635 1.00 0.00 N ATOM 1131 CA VAL A 75 -6.920 16.273 -4.806 1.00 0.00 C ATOM 1132 C VAL A 75 -5.792 15.296 -5.120 1.00 0.00 C ATOM 1133 O VAL A 75 -4.619 15.664 -5.117 1.00 0.00 O ATOM 1134 CB VAL A 75 -7.262 16.181 -3.307 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -5.994 16.046 -2.477 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -8.068 17.395 -2.870 1.00 0.00 C ATOM 0 H VAL A 75 -8.942 15.811 -5.111 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.592 17.287 -5.035 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.870 15.291 -3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.256 15.982 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.459 15.144 -2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.357 16.915 -2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.301 17.314 -1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.487 18.300 -3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.994 17.442 -3.442 1.00 0.00 H new ATOM 1146 N ALA A 76 -6.158 14.047 -5.390 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.178 13.016 -5.709 1.00 0.00 C ATOM 1148 C ALA A 76 -4.470 13.320 -7.025 1.00 0.00 C ATOM 1149 O ALA A 76 -3.249 13.466 -7.063 1.00 0.00 O ATOM 1150 CB ALA A 76 -5.848 11.652 -5.771 1.00 0.00 C ATOM 0 H ALA A 76 -7.126 13.725 -5.394 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.429 13.005 -4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.104 10.892 -6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.301 11.425 -4.806 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.619 11.660 -6.541 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.245 13.412 -8.101 1.00 0.00 N ATOM 1157 CA GLU A 77 -4.690 13.697 -9.419 1.00 0.00 C ATOM 1158 C GLU A 77 -4.079 15.095 -9.462 1.00 0.00 C ATOM 1159 O GLU A 77 -3.334 15.430 -10.383 1.00 0.00 O ATOM 1160 CB GLU A 77 -5.773 13.569 -10.492 1.00 0.00 C ATOM 1161 CG GLU A 77 -5.230 13.213 -11.866 1.00 0.00 C ATOM 1162 CD GLU A 77 -4.484 14.363 -12.514 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -4.960 15.513 -12.411 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -3.424 14.113 -13.124 1.00 0.00 O ATOM 0 H GLU A 77 -6.258 13.293 -8.086 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.903 12.969 -9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.489 12.806 -10.185 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.319 14.510 -10.559 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.563 12.356 -11.778 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.055 12.910 -12.511 1.00 0.00 H new ATOM 1171 N ARG A 78 -4.400 15.905 -8.459 1.00 0.00 N ATOM 1172 CA ARG A 78 -3.885 17.267 -8.382 1.00 0.00 C ATOM 1173 C ARG A 78 -2.565 17.307 -7.619 1.00 0.00 C ATOM 1174 O ARG A 78 -1.658 18.063 -7.967 1.00 0.00 O ATOM 1175 CB ARG A 78 -4.906 18.184 -7.705 1.00 0.00 C ATOM 1176 CG ARG A 78 -4.348 19.548 -7.335 1.00 0.00 C ATOM 1177 CD ARG A 78 -5.245 20.266 -6.339 1.00 0.00 C ATOM 1178 NE ARG A 78 -4.661 21.524 -5.884 1.00 0.00 N ATOM 1179 CZ ARG A 78 -4.525 22.594 -6.660 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -4.929 22.558 -7.922 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -3.984 23.704 -6.173 1.00 0.00 N ATOM 0 H ARG A 78 -5.014 15.642 -7.688 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.708 17.619 -9.398 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.759 18.318 -8.370 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.278 17.697 -6.804 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.351 19.431 -6.910 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.242 20.155 -8.234 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.214 20.462 -6.799 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.425 19.618 -5.481 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.340 21.585 -4.918 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.346 21.707 -8.300 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.823 23.381 -8.515 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.672 23.736 -5.202 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.880 24.525 -6.769 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.464 16.488 -6.577 1.00 0.00 N ATOM 1196 CA GLU A 79 -1.255 16.431 -5.764 1.00 0.00 C ATOM 1197 C GLU A 79 -0.456 15.166 -6.065 1.00 0.00 C ATOM 1198 O GLU A 79 0.734 15.228 -6.375 1.00 0.00 O ATOM 1199 CB GLU A 79 -1.611 16.481 -4.277 1.00 0.00 C ATOM 1200 CG GLU A 79 -2.338 17.751 -3.867 1.00 0.00 C ATOM 1201 CD GLU A 79 -1.509 18.999 -4.102 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -0.619 19.286 -3.276 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -1.752 19.690 -5.115 1.00 0.00 O ATOM 0 H GLU A 79 -3.205 15.855 -6.276 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.640 17.296 -6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.234 15.621 -4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.697 16.390 -3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.271 17.828 -4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.603 17.689 -2.812 1.00 0.00 H new ATOM 1210 N PHE A 80 -1.120 14.018 -5.970 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.472 12.737 -6.230 1.00 0.00 C ATOM 1212 C PHE A 80 -0.432 12.442 -7.727 1.00 0.00 C ATOM 1213 O PHE A 80 0.307 11.569 -8.179 1.00 0.00 O ATOM 1214 CB PHE A 80 -1.206 11.613 -5.497 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.503 11.929 -4.059 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -0.636 12.714 -3.315 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -2.648 11.440 -3.450 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -0.907 13.006 -1.992 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -2.923 11.729 -2.127 1.00 0.00 C ATOM 1220 CZ PHE A 80 -2.052 12.513 -1.397 1.00 0.00 C ATOM 0 H PHE A 80 -2.105 13.949 -5.715 1.00 0.00 H new ATOM 0 HA PHE A 80 0.552 12.794 -5.861 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -2.142 11.403 -6.015 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.604 10.705 -5.544 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.261 13.102 -3.775 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.333 10.826 -4.016 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.224 13.619 -1.423 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.819 11.342 -1.664 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.265 12.740 -0.363 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.234 13.178 -8.491 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.275 12.981 -9.928 1.00 0.00 C ATOM 1232 C GLY A 81 -1.927 11.668 -10.314 1.00 0.00 C ATOM 1233 O GLY A 81 -1.971 11.312 -11.492 1.00 0.00 O ATOM 0 H GLY A 81 -1.856 13.907 -8.140 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.821 13.804 -10.389 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.260 13.010 -10.325 1.00 0.00 H new ATOM 1237 N ILE A 82 -2.433 10.945 -9.320 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.084 9.664 -9.562 1.00 0.00 C ATOM 1239 C ILE A 82 -4.463 9.857 -10.183 1.00 0.00 C ATOM 1240 O ILE A 82 -5.343 10.502 -9.613 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.228 8.851 -8.262 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -1.863 8.662 -7.598 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -3.875 7.504 -8.548 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -1.948 8.214 -6.156 1.00 0.00 C ATOM 0 H ILE A 82 -2.404 11.225 -8.340 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.449 9.114 -10.256 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.871 9.403 -7.576 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.291 7.927 -8.165 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.312 9.601 -7.646 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.970 6.941 -7.619 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.863 7.660 -8.980 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.256 6.945 -9.249 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.943 8.101 -5.750 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.492 8.959 -5.575 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.471 7.259 -6.102 1.00 0.00 H new ATOM 1256 N PRO A 83 -4.658 9.284 -11.380 1.00 0.00 N ATOM 1257 CA PRO A 83 -5.930 9.377 -12.104 1.00 0.00 C ATOM 1258 C PRO A 83 -7.040 8.578 -11.431 1.00 0.00 C ATOM 1259 O PRO A 83 -6.841 7.449 -10.981 1.00 0.00 O ATOM 1260 CB PRO A 83 -5.600 8.784 -13.477 1.00 0.00 C ATOM 1261 CG PRO A 83 -4.449 7.871 -13.228 1.00 0.00 C ATOM 1262 CD PRO A 83 -3.654 8.500 -12.118 1.00 0.00 C ATOM 0 HA PRO A 83 -6.302 10.401 -12.145 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.452 8.244 -13.890 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.339 9.564 -14.193 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.794 6.876 -12.946 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -3.842 7.755 -14.126 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.186 7.748 -11.483 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.855 9.133 -12.505 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.239 9.174 -11.359 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.406 8.535 -10.743 1.00 0.00 C ATOM 1272 C PRO A 84 -9.929 7.364 -11.568 1.00 0.00 C ATOM 1273 O PRO A 84 -9.753 7.322 -12.786 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.443 9.660 -10.695 1.00 0.00 C ATOM 1275 CG PRO A 84 -10.049 10.585 -11.794 1.00 0.00 C ATOM 1276 CD PRO A 84 -8.549 10.519 -11.875 1.00 0.00 C ATOM 0 HA PRO A 84 -9.170 8.112 -9.767 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.452 9.275 -10.844 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.434 10.166 -9.729 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.504 10.285 -12.738 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.384 11.601 -11.587 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.196 10.648 -12.898 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.079 11.298 -11.275 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.573 6.414 -10.898 1.00 0.00 N ATOM 1285 CA VAL A 85 -11.122 5.243 -11.570 1.00 0.00 C ATOM 1286 C VAL A 85 -12.613 5.415 -11.843 1.00 0.00 C ATOM 1287 O VAL A 85 -13.145 4.872 -12.811 1.00 0.00 O ATOM 1288 CB VAL A 85 -10.909 3.966 -10.736 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.430 3.761 -10.442 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -11.713 4.031 -9.446 1.00 0.00 C ATOM 0 H VAL A 85 -10.727 6.433 -9.890 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.591 5.143 -12.516 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.262 3.112 -11.314 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.299 2.854 -9.852 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.882 3.666 -11.380 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.048 4.616 -9.884 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.550 3.120 -8.870 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.393 4.893 -8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.773 4.126 -9.682 1.00 0.00 H new ATOM 1300 N THR A 86 -13.282 6.175 -10.982 1.00 0.00 N ATOM 1301 CA THR A 86 -14.712 6.419 -11.129 1.00 0.00 C ATOM 1302 C THR A 86 -15.053 7.876 -10.841 1.00 0.00 C ATOM 1303 O THR A 86 -14.334 8.562 -10.113 1.00 0.00 O ATOM 1304 CB THR A 86 -15.535 5.515 -10.192 1.00 0.00 C ATOM 1305 OG1 THR A 86 -16.934 5.725 -10.414 1.00 0.00 O ATOM 1306 CG2 THR A 86 -15.200 5.797 -8.736 1.00 0.00 C ATOM 0 H THR A 86 -12.857 6.632 -10.175 1.00 0.00 H new ATOM 0 HA THR A 86 -14.968 6.187 -12.163 1.00 0.00 H new ATOM 0 HB THR A 86 -15.284 4.477 -10.411 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.451 5.146 -9.816 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.794 5.147 -8.094 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.140 5.609 -8.563 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.426 6.838 -8.506 1.00 0.00 H new ATOM 1314 N THR A 87 -16.157 8.346 -11.415 1.00 0.00 N ATOM 1315 CA THR A 87 -16.594 9.722 -11.220 1.00 0.00 C ATOM 1316 C THR A 87 -17.504 9.843 -10.003 1.00 0.00 C ATOM 1317 O THR A 87 -18.433 9.056 -9.830 1.00 0.00 O ATOM 1318 CB THR A 87 -17.338 10.256 -12.458 1.00 0.00 C ATOM 1319 OG1 THR A 87 -18.510 9.471 -12.702 1.00 0.00 O ATOM 1320 CG2 THR A 87 -16.438 10.228 -13.684 1.00 0.00 C ATOM 0 H THR A 87 -16.765 7.793 -12.019 1.00 0.00 H new ATOM 0 HA THR A 87 -15.696 10.319 -11.059 1.00 0.00 H new ATOM 0 HB THR A 87 -17.627 11.289 -12.263 1.00 0.00 H new ATOM 0 HG1 THR A 87 -18.978 9.818 -13.490 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.985 10.610 -14.546 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.561 10.851 -13.506 1.00 0.00 H new ATOM 0 HG23 THR A 87 -16.122 9.203 -13.880 1.00 0.00 H new ATOM 1328 N GLY A 88 -17.230 10.835 -9.161 1.00 0.00 N ATOM 1329 CA GLY A 88 -18.034 11.041 -7.970 1.00 0.00 C ATOM 1330 C GLY A 88 -19.506 10.767 -8.210 1.00 0.00 C ATOM 1331 O GLY A 88 -20.151 10.069 -7.429 1.00 0.00 O ATOM 0 H GLY A 88 -16.466 11.500 -9.282 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.672 10.391 -7.174 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.910 12.067 -7.625 1.00 0.00 H new ATOM 1335 N LYS A 89 -20.040 11.321 -9.294 1.00 0.00 N ATOM 1336 CA LYS A 89 -21.445 11.134 -9.636 1.00 0.00 C ATOM 1337 C LYS A 89 -21.791 9.651 -9.726 1.00 0.00 C ATOM 1338 O LYS A 89 -22.631 9.155 -8.976 1.00 0.00 O ATOM 1339 CB LYS A 89 -21.764 11.825 -10.964 1.00 0.00 C ATOM 1340 CG LYS A 89 -22.113 13.296 -10.816 1.00 0.00 C ATOM 1341 CD LYS A 89 -23.580 13.489 -10.472 1.00 0.00 C ATOM 1342 CE LYS A 89 -24.468 13.310 -11.694 1.00 0.00 C ATOM 1343 NZ LYS A 89 -24.320 14.436 -12.656 1.00 0.00 N ATOM 0 H LYS A 89 -19.520 11.903 -9.951 1.00 0.00 H new ATOM 0 HA LYS A 89 -22.048 11.582 -8.846 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -20.906 11.729 -11.629 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -22.597 11.309 -11.442 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -21.494 13.741 -10.037 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.884 13.820 -11.744 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -23.871 12.775 -9.702 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -23.729 14.485 -10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -24.218 12.373 -12.191 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -25.509 13.236 -11.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -25.115 14.426 -13.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -24.315 15.337 -12.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -23.426 14.332 -13.177 1.00 0.00 H new ATOM 1357 N GLU A 90 -21.136 8.950 -10.647 1.00 0.00 N ATOM 1358 CA GLU A 90 -21.375 7.524 -10.832 1.00 0.00 C ATOM 1359 C GLU A 90 -21.175 6.764 -9.525 1.00 0.00 C ATOM 1360 O GLU A 90 -21.956 5.875 -9.186 1.00 0.00 O ATOM 1361 CB GLU A 90 -20.442 6.964 -11.908 1.00 0.00 C ATOM 1362 CG GLU A 90 -20.523 5.454 -12.058 1.00 0.00 C ATOM 1363 CD GLU A 90 -21.952 4.951 -12.125 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -22.603 5.147 -13.173 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -22.419 4.359 -11.129 1.00 0.00 O ATOM 0 H GLU A 90 -20.437 9.346 -11.275 1.00 0.00 H new ATOM 0 HA GLU A 90 -22.409 7.394 -11.153 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -20.683 7.429 -12.864 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -19.416 7.242 -11.668 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -19.993 5.153 -12.962 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -20.014 4.981 -11.218 1.00 0.00 H new ATOM 1372 N MET A 91 -20.123 7.120 -8.795 1.00 0.00 N ATOM 1373 CA MET A 91 -19.821 6.472 -7.524 1.00 0.00 C ATOM 1374 C MET A 91 -21.069 6.375 -6.652 1.00 0.00 C ATOM 1375 O MET A 91 -21.463 5.286 -6.236 1.00 0.00 O ATOM 1376 CB MET A 91 -18.726 7.242 -6.782 1.00 0.00 C ATOM 1377 CG MET A 91 -17.928 6.383 -5.816 1.00 0.00 C ATOM 1378 SD MET A 91 -18.934 5.118 -5.016 1.00 0.00 S ATOM 1379 CE MET A 91 -17.861 3.691 -5.159 1.00 0.00 C ATOM 0 H MET A 91 -19.466 7.853 -9.062 1.00 0.00 H new ATOM 0 HA MET A 91 -19.467 5.463 -7.735 1.00 0.00 H new ATOM 0 HB2 MET A 91 -18.046 7.683 -7.511 1.00 0.00 H new ATOM 0 HB3 MET A 91 -19.181 8.066 -6.232 1.00 0.00 H new ATOM 0 HG2 MET A 91 -17.109 5.904 -6.353 1.00 0.00 H new ATOM 0 HG3 MET A 91 -17.480 7.021 -5.054 1.00 0.00 H new ATOM 0 HE1 MET A 91 -18.312 2.963 -5.833 1.00 0.00 H new ATOM 0 HE2 MET A 91 -16.894 4.001 -5.554 1.00 0.00 H new ATOM 0 HE3 MET A 91 -17.724 3.239 -4.177 1.00 0.00 H new ATOM 1389 N ALA A 92 -21.687 7.520 -6.381 1.00 0.00 N ATOM 1390 CA ALA A 92 -22.891 7.563 -5.561 1.00 0.00 C ATOM 1391 C ALA A 92 -24.044 6.830 -6.240 1.00 0.00 C ATOM 1392 O ALA A 92 -25.046 6.506 -5.604 1.00 0.00 O ATOM 1393 CB ALA A 92 -23.279 9.004 -5.268 1.00 0.00 C ATOM 0 H ALA A 92 -21.373 8.430 -6.718 1.00 0.00 H new ATOM 0 HA ALA A 92 -22.678 7.057 -4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -24.180 9.021 -4.655 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -22.467 9.498 -4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -23.468 9.528 -6.205 1.00 0.00 H new ATOM 1399 N SER A 93 -23.895 6.574 -7.536 1.00 0.00 N ATOM 1400 CA SER A 93 -24.926 5.884 -8.302 1.00 0.00 C ATOM 1401 C SER A 93 -24.858 4.378 -8.070 1.00 0.00 C ATOM 1402 O SER A 93 -25.830 3.761 -7.634 1.00 0.00 O ATOM 1403 CB SER A 93 -24.773 6.190 -9.793 1.00 0.00 C ATOM 1404 OG SER A 93 -26.028 6.157 -10.452 1.00 0.00 O ATOM 0 H SER A 93 -23.070 6.834 -8.077 1.00 0.00 H new ATOM 0 HA SER A 93 -25.898 6.242 -7.963 1.00 0.00 H new ATOM 0 HB2 SER A 93 -24.317 7.172 -9.921 1.00 0.00 H new ATOM 0 HB3 SER A 93 -24.100 5.464 -10.249 1.00 0.00 H new ATOM 0 HG SER A 93 -25.903 6.357 -11.403 1.00 0.00 H new ATOM 1410 N ALA A 94 -23.703 3.791 -8.366 1.00 0.00 N ATOM 1411 CA ALA A 94 -23.506 2.358 -8.188 1.00 0.00 C ATOM 1412 C ALA A 94 -23.525 1.980 -6.711 1.00 0.00 C ATOM 1413 O ALA A 94 -22.587 2.279 -5.973 1.00 0.00 O ATOM 1414 CB ALA A 94 -22.197 1.921 -8.830 1.00 0.00 C ATOM 0 H ALA A 94 -22.889 4.286 -8.730 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.330 1.840 -8.679 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -22.063 0.848 -8.689 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -22.221 2.147 -9.896 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.368 2.454 -8.365 1.00 0.00 H new ATOM 1420 N GLN A 95 -24.600 1.322 -6.287 1.00 0.00 N ATOM 1421 CA GLN A 95 -24.741 0.905 -4.897 1.00 0.00 C ATOM 1422 C GLN A 95 -23.511 0.130 -4.434 1.00 0.00 C ATOM 1423 O GLN A 95 -22.770 0.587 -3.565 1.00 0.00 O ATOM 1424 CB GLN A 95 -25.994 0.046 -4.725 1.00 0.00 C ATOM 1425 CG GLN A 95 -27.273 0.740 -5.165 1.00 0.00 C ATOM 1426 CD GLN A 95 -28.504 0.189 -4.472 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -28.450 -0.855 -3.822 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -29.623 0.891 -4.607 1.00 0.00 N ATOM 0 H GLN A 95 -25.385 1.067 -6.886 1.00 0.00 H new ATOM 0 HA GLN A 95 -24.836 1.801 -4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -25.875 -0.874 -5.297 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -26.087 -0.240 -3.677 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -27.192 1.807 -4.959 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -27.388 0.631 -6.243 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -29.622 1.751 -5.155 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -30.483 0.570 -4.163 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.302 -1.044 -5.021 1.00 0.00 N ATOM 1438 CA GLU A 96 -22.162 -1.882 -4.666 1.00 0.00 C ATOM 1439 C GLU A 96 -21.185 -1.992 -5.833 1.00 0.00 C ATOM 1440 O GLU A 96 -21.374 -2.776 -6.763 1.00 0.00 O ATOM 1441 CB GLU A 96 -22.636 -3.276 -4.250 1.00 0.00 C ATOM 1442 CG GLU A 96 -21.705 -3.967 -3.268 1.00 0.00 C ATOM 1443 CD GLU A 96 -21.890 -3.477 -1.845 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -22.154 -2.270 -1.662 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -21.770 -4.301 -0.914 1.00 0.00 O ATOM 0 H GLU A 96 -23.906 -1.436 -5.743 1.00 0.00 H new ATOM 0 HA GLU A 96 -21.647 -1.416 -3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.627 -3.195 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -22.737 -3.897 -5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -21.879 -5.042 -3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -20.672 -3.801 -3.574 1.00 0.00 H new ATOM 1452 N PRO A 97 -20.113 -1.187 -5.784 1.00 0.00 N ATOM 1453 CA PRO A 97 -19.084 -1.175 -6.828 1.00 0.00 C ATOM 1454 C PRO A 97 -18.248 -2.451 -6.833 1.00 0.00 C ATOM 1455 O PRO A 97 -18.509 -3.379 -6.067 1.00 0.00 O ATOM 1456 CB PRO A 97 -18.217 0.030 -6.457 1.00 0.00 C ATOM 1457 CG PRO A 97 -18.409 0.198 -4.989 1.00 0.00 C ATOM 1458 CD PRO A 97 -19.823 -0.228 -4.705 1.00 0.00 C ATOM 0 HA PRO A 97 -19.517 -1.115 -7.826 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.169 -0.146 -6.702 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.526 0.922 -7.001 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.698 -0.411 -4.430 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.246 1.233 -4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -19.914 -0.690 -3.722 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.509 0.619 -4.724 1.00 0.00 H new ATOM 1466 N ASP A 98 -17.242 -2.490 -7.699 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.366 -3.652 -7.803 1.00 0.00 C ATOM 1468 C ASP A 98 -15.275 -3.606 -6.738 1.00 0.00 C ATOM 1469 O ASP A 98 -14.439 -2.702 -6.729 1.00 0.00 O ATOM 1470 CB ASP A 98 -15.736 -3.720 -9.195 1.00 0.00 C ATOM 1471 CG ASP A 98 -15.446 -5.143 -9.629 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -15.046 -5.956 -8.770 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -15.617 -5.444 -10.829 1.00 0.00 O ATOM 0 H ASP A 98 -17.012 -1.730 -8.340 1.00 0.00 H new ATOM 0 HA ASP A 98 -16.968 -4.546 -7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -16.405 -3.252 -9.917 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.810 -3.146 -9.200 1.00 0.00 H new ATOM 1478 N LYS A 99 -15.288 -4.586 -5.841 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.300 -4.659 -4.772 1.00 0.00 C ATOM 1480 C LYS A 99 -12.902 -4.354 -5.301 1.00 0.00 C ATOM 1481 O LYS A 99 -12.095 -3.718 -4.621 1.00 0.00 O ATOM 1482 CB LYS A 99 -14.320 -6.045 -4.124 1.00 0.00 C ATOM 1483 CG LYS A 99 -15.474 -6.248 -3.157 1.00 0.00 C ATOM 1484 CD LYS A 99 -15.665 -7.716 -2.816 1.00 0.00 C ATOM 1485 CE LYS A 99 -16.795 -7.914 -1.818 1.00 0.00 C ATOM 1486 NZ LYS A 99 -16.479 -7.310 -0.495 1.00 0.00 N ATOM 0 H LYS A 99 -15.973 -5.342 -5.833 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.557 -3.911 -4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -14.375 -6.802 -4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.381 -6.203 -3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -15.288 -5.683 -2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -16.391 -5.853 -3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.879 -8.277 -3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.740 -8.118 -2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -17.709 -7.469 -2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -16.987 -8.980 -1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -17.047 -7.773 0.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.468 -7.440 -0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -16.700 -6.294 -0.515 1.00 0.00 H new ATOM 1500 N LEU A 100 -12.623 -4.808 -6.517 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.323 -4.582 -7.138 1.00 0.00 C ATOM 1502 C LEU A 100 -11.118 -3.104 -7.451 1.00 0.00 C ATOM 1503 O LEU A 100 -10.275 -2.442 -6.846 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.197 -5.409 -8.420 1.00 0.00 C ATOM 1505 CG LEU A 100 -10.672 -6.835 -8.250 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -9.152 -6.844 -8.215 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -11.241 -7.465 -6.987 1.00 0.00 C ATOM 0 H LEU A 100 -13.280 -5.335 -7.093 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.553 -4.895 -6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.177 -5.458 -8.895 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.537 -4.880 -9.107 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.998 -7.426 -9.106 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.797 -7.867 -8.093 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.764 -6.434 -9.147 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.804 -6.237 -7.379 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.857 -8.480 -6.882 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.946 -6.873 -6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.329 -7.494 -7.053 1.00 0.00 H new ATOM 1519 N SER A 101 -11.897 -2.591 -8.399 1.00 0.00 N ATOM 1520 CA SER A 101 -11.800 -1.191 -8.793 1.00 0.00 C ATOM 1521 C SER A 101 -11.512 -0.305 -7.585 1.00 0.00 C ATOM 1522 O SER A 101 -10.873 0.740 -7.706 1.00 0.00 O ATOM 1523 CB SER A 101 -13.094 -0.740 -9.474 1.00 0.00 C ATOM 1524 OG SER A 101 -13.208 -1.295 -10.772 1.00 0.00 O ATOM 0 H SER A 101 -12.602 -3.124 -8.908 1.00 0.00 H new ATOM 0 HA SER A 101 -10.974 -1.094 -9.498 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.950 -1.041 -8.870 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.115 0.348 -9.537 1.00 0.00 H new ATOM 0 HG SER A 101 -14.044 -0.993 -11.185 1.00 0.00 H new ATOM 1530 N MET A 102 -11.988 -0.731 -6.420 1.00 0.00 N ATOM 1531 CA MET A 102 -11.781 0.023 -5.189 1.00 0.00 C ATOM 1532 C MET A 102 -10.401 -0.260 -4.604 1.00 0.00 C ATOM 1533 O MET A 102 -9.661 0.662 -4.261 1.00 0.00 O ATOM 1534 CB MET A 102 -12.863 -0.326 -4.164 1.00 0.00 C ATOM 1535 CG MET A 102 -14.121 0.516 -4.299 1.00 0.00 C ATOM 1536 SD MET A 102 -14.062 2.018 -3.303 1.00 0.00 S ATOM 1537 CE MET A 102 -12.401 2.590 -3.653 1.00 0.00 C ATOM 0 H MET A 102 -12.519 -1.594 -6.302 1.00 0.00 H new ATOM 0 HA MET A 102 -11.845 1.085 -5.427 1.00 0.00 H new ATOM 0 HB2 MET A 102 -13.127 -1.378 -4.270 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.456 -0.199 -3.161 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.263 0.784 -5.346 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.985 -0.078 -4.002 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.266 3.590 -3.240 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.679 1.910 -3.201 1.00 0.00 H new ATOM 0 HE3 MET A 102 -12.246 2.619 -4.732 1.00 0.00 H new ATOM 1547 N VAL A 103 -10.061 -1.540 -4.492 1.00 0.00 N ATOM 1548 CA VAL A 103 -8.769 -1.943 -3.950 1.00 0.00 C ATOM 1549 C VAL A 103 -7.625 -1.436 -4.820 1.00 0.00 C ATOM 1550 O VAL A 103 -6.669 -0.842 -4.323 1.00 0.00 O ATOM 1551 CB VAL A 103 -8.666 -3.475 -3.826 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -7.316 -3.875 -3.250 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -9.801 -4.018 -2.971 1.00 0.00 C ATOM 0 H VAL A 103 -10.662 -2.316 -4.769 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.690 -1.499 -2.958 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.752 -3.909 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.262 -4.961 -3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.521 -3.519 -3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.197 -3.432 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.712 -5.102 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.749 -3.578 -1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.756 -3.764 -3.430 1.00 0.00 H new ATOM 1563 N MET A 104 -7.730 -1.675 -6.124 1.00 0.00 N ATOM 1564 CA MET A 104 -6.704 -1.241 -7.065 1.00 0.00 C ATOM 1565 C MET A 104 -6.423 0.251 -6.912 1.00 0.00 C ATOM 1566 O MET A 104 -5.282 0.694 -7.047 1.00 0.00 O ATOM 1567 CB MET A 104 -7.136 -1.546 -8.500 1.00 0.00 C ATOM 1568 CG MET A 104 -8.430 -0.858 -8.905 1.00 0.00 C ATOM 1569 SD MET A 104 -8.607 -0.707 -10.693 1.00 0.00 S ATOM 1570 CE MET A 104 -9.213 -2.340 -11.112 1.00 0.00 C ATOM 0 H MET A 104 -8.515 -2.166 -6.552 1.00 0.00 H new ATOM 0 HA MET A 104 -5.788 -1.790 -6.845 1.00 0.00 H new ATOM 0 HB2 MET A 104 -6.343 -1.240 -9.182 1.00 0.00 H new ATOM 0 HB3 MET A 104 -7.256 -2.623 -8.613 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.275 -1.419 -8.506 1.00 0.00 H new ATOM 0 HG3 MET A 104 -8.465 0.134 -8.455 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.642 -2.736 -11.952 1.00 0.00 H new ATOM 0 HE2 MET A 104 -9.100 -3.001 -10.253 1.00 0.00 H new ATOM 0 HE3 MET A 104 -10.266 -2.278 -11.386 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.469 1.020 -6.631 1.00 0.00 N ATOM 1581 CA TYR A 105 -7.334 2.462 -6.464 1.00 0.00 C ATOM 1582 C TYR A 105 -6.694 2.796 -5.120 1.00 0.00 C ATOM 1583 O TYR A 105 -5.850 3.689 -5.025 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.701 3.139 -6.573 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.622 4.638 -6.751 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -8.039 5.193 -7.883 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -9.129 5.500 -5.785 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -7.964 6.563 -8.049 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -9.059 6.870 -5.944 1.00 0.00 C ATOM 1590 CZ TYR A 105 -8.476 7.397 -7.077 1.00 0.00 C ATOM 1591 OH TYR A 105 -8.403 8.762 -7.238 1.00 0.00 O ATOM 0 H TYR A 105 -8.420 0.669 -6.514 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.687 2.836 -7.257 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.243 2.710 -7.415 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.279 2.918 -5.676 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -7.638 4.543 -8.646 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.585 5.091 -4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.507 6.978 -8.935 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.459 7.526 -5.185 1.00 0.00 H new ATOM 0 HH TYR A 105 -8.810 9.205 -6.464 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.102 2.074 -4.082 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.569 2.292 -2.742 1.00 0.00 C ATOM 1603 C LEU A 106 -5.073 1.998 -2.696 1.00 0.00 C ATOM 1604 O LEU A 106 -4.346 2.551 -1.870 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.305 1.413 -1.729 1.00 0.00 C ATOM 1606 CG LEU A 106 -8.783 1.736 -1.508 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -9.495 0.561 -0.857 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -8.932 2.990 -0.659 1.00 0.00 C ATOM 0 H LEU A 106 -7.800 1.333 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.722 3.340 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.225 0.375 -2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.790 1.488 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.245 1.920 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.546 0.810 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.417 -0.314 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.033 0.344 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.990 3.206 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.455 2.833 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.458 3.831 -1.165 1.00 0.00 H new ATOM 1620 N SER A 107 -4.619 1.125 -3.589 1.00 0.00 N ATOM 1621 CA SER A 107 -3.210 0.756 -3.650 1.00 0.00 C ATOM 1622 C SER A 107 -2.340 1.978 -3.927 1.00 0.00 C ATOM 1623 O SER A 107 -1.278 2.148 -3.327 1.00 0.00 O ATOM 1624 CB SER A 107 -2.984 -0.301 -4.732 1.00 0.00 C ATOM 1625 OG SER A 107 -3.508 -1.557 -4.337 1.00 0.00 O ATOM 0 H SER A 107 -5.207 0.660 -4.281 1.00 0.00 H new ATOM 0 HA SER A 107 -2.926 0.341 -2.683 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.457 0.018 -5.661 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.917 -0.396 -4.934 1.00 0.00 H new ATOM 0 HG SER A 107 -4.486 -1.506 -4.299 1.00 0.00 H new ATOM 1631 N LYS A 108 -2.798 2.828 -4.840 1.00 0.00 N ATOM 1632 CA LYS A 108 -2.064 4.036 -5.197 1.00 0.00 C ATOM 1633 C LYS A 108 -1.759 4.874 -3.960 1.00 0.00 C ATOM 1634 O LYS A 108 -0.671 5.435 -3.830 1.00 0.00 O ATOM 1635 CB LYS A 108 -2.866 4.865 -6.203 1.00 0.00 C ATOM 1636 CG LYS A 108 -2.990 4.211 -7.568 1.00 0.00 C ATOM 1637 CD LYS A 108 -3.838 2.952 -7.508 1.00 0.00 C ATOM 1638 CE LYS A 108 -4.404 2.595 -8.874 1.00 0.00 C ATOM 1639 NZ LYS A 108 -3.491 1.697 -9.634 1.00 0.00 N ATOM 0 H LYS A 108 -3.675 2.702 -5.346 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.120 3.736 -5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.864 5.042 -5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.392 5.840 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.433 4.916 -8.271 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.998 3.965 -7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.235 2.124 -7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.655 3.096 -6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -5.372 2.109 -8.751 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.576 3.507 -9.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.912 1.477 -10.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.576 2.170 -9.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.347 0.816 -9.100 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.726 4.954 -3.052 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.560 5.723 -1.824 1.00 0.00 C ATOM 1655 C PHE A 109 -1.785 4.923 -0.782 1.00 0.00 C ATOM 1656 O PHE A 109 -0.760 5.376 -0.272 1.00 0.00 O ATOM 1657 CB PHE A 109 -3.925 6.126 -1.262 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.720 7.002 -2.188 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -4.484 8.366 -2.246 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -5.703 6.461 -3.001 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -5.213 9.175 -3.098 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -6.435 7.264 -3.855 1.00 0.00 C ATOM 1663 CZ PHE A 109 -6.191 8.623 -3.902 1.00 0.00 C ATOM 0 H PHE A 109 -3.633 4.496 -3.143 1.00 0.00 H new ATOM 0 HA PHE A 109 -1.992 6.622 -2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -4.499 5.226 -1.044 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -3.780 6.648 -0.316 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -3.721 8.803 -1.618 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -5.899 5.400 -2.967 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -5.018 10.237 -3.135 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -7.197 6.830 -4.485 1.00 0.00 H new ATOM 0 HZ PHE A 109 -6.764 9.253 -4.566 1.00 0.00 H new ATOM 1673 N TYR A 110 -2.282 3.731 -0.469 1.00 0.00 N ATOM 1674 CA TYR A 110 -1.639 2.869 0.515 1.00 0.00 C ATOM 1675 C TYR A 110 -0.120 2.922 0.376 1.00 0.00 C ATOM 1676 O TYR A 110 0.596 3.119 1.357 1.00 0.00 O ATOM 1677 CB TYR A 110 -2.126 1.427 0.356 1.00 0.00 C ATOM 1678 CG TYR A 110 -1.397 0.441 1.240 1.00 0.00 C ATOM 1679 CD1 TYR A 110 -1.438 0.557 2.624 1.00 0.00 C ATOM 1680 CD2 TYR A 110 -0.666 -0.606 0.692 1.00 0.00 C ATOM 1681 CE1 TYR A 110 -0.772 -0.342 3.436 1.00 0.00 C ATOM 1682 CE2 TYR A 110 0.001 -1.510 1.496 1.00 0.00 C ATOM 1683 CZ TYR A 110 -0.055 -1.373 2.867 1.00 0.00 C ATOM 1684 OH TYR A 110 0.610 -2.271 3.671 1.00 0.00 O ATOM 0 H TYR A 110 -3.128 3.340 -0.883 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.908 3.230 1.508 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.192 1.385 0.581 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -2.008 1.125 -0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -2.000 1.363 3.073 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.618 -0.715 -0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.813 -0.237 4.510 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.563 -2.319 1.053 1.00 0.00 H new ATOM 0 HH TYR A 110 1.065 -2.936 3.113 1.00 0.00 H new ATOM 1694 N GLU A 111 0.362 2.746 -0.850 1.00 0.00 N ATOM 1695 CA GLU A 111 1.795 2.774 -1.118 1.00 0.00 C ATOM 1696 C GLU A 111 2.357 4.180 -0.926 1.00 0.00 C ATOM 1697 O GLU A 111 3.429 4.359 -0.347 1.00 0.00 O ATOM 1698 CB GLU A 111 2.080 2.289 -2.541 1.00 0.00 C ATOM 1699 CG GLU A 111 1.802 0.810 -2.747 1.00 0.00 C ATOM 1700 CD GLU A 111 2.796 -0.077 -2.022 1.00 0.00 C ATOM 1701 OE1 GLU A 111 2.542 -0.416 -0.847 1.00 0.00 O ATOM 1702 OE2 GLU A 111 3.827 -0.432 -2.630 1.00 0.00 O ATOM 0 H GLU A 111 -0.218 2.583 -1.673 1.00 0.00 H new ATOM 0 HA GLU A 111 2.284 2.106 -0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.474 2.865 -3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.124 2.491 -2.782 1.00 0.00 H new ATOM 0 HG2 GLU A 111 0.795 0.581 -2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.829 0.584 -3.813 1.00 0.00 H new ATOM 1709 N LEU A 112 1.626 5.175 -1.417 1.00 0.00 N ATOM 1710 CA LEU A 112 2.051 6.566 -1.300 1.00 0.00 C ATOM 1711 C LEU A 112 2.306 6.937 0.157 1.00 0.00 C ATOM 1712 O LEU A 112 3.310 7.572 0.480 1.00 0.00 O ATOM 1713 CB LEU A 112 0.992 7.494 -1.897 1.00 0.00 C ATOM 1714 CG LEU A 112 1.447 8.921 -2.206 1.00 0.00 C ATOM 1715 CD1 LEU A 112 2.310 8.946 -3.458 1.00 0.00 C ATOM 1716 CD2 LEU A 112 0.246 9.842 -2.366 1.00 0.00 C ATOM 0 H LEU A 112 0.737 5.045 -1.900 1.00 0.00 H new ATOM 0 HA LEU A 112 2.983 6.684 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.622 7.045 -2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.150 7.544 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 112 2.045 9.280 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.625 9.969 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.189 8.319 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.736 8.567 -4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.589 10.853 -2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.379 9.486 -3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.333 9.848 -1.443 1.00 0.00 H new ATOM 1728 N PHE A 113 1.392 6.535 1.034 1.00 0.00 N ATOM 1729 CA PHE A 113 1.518 6.824 2.457 1.00 0.00 C ATOM 1730 C PHE A 113 2.601 5.958 3.094 1.00 0.00 C ATOM 1731 O PHE A 113 3.505 6.465 3.758 1.00 0.00 O ATOM 1732 CB PHE A 113 0.182 6.594 3.167 1.00 0.00 C ATOM 1733 CG PHE A 113 -0.840 7.657 2.880 1.00 0.00 C ATOM 1734 CD1 PHE A 113 -1.135 8.018 1.575 1.00 0.00 C ATOM 1735 CD2 PHE A 113 -1.504 8.295 3.915 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -2.076 8.995 1.307 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -2.446 9.273 3.653 1.00 0.00 C ATOM 1738 CZ PHE A 113 -2.731 9.624 2.348 1.00 0.00 C ATOM 0 H PHE A 113 0.556 6.008 0.784 1.00 0.00 H new ATOM 0 HA PHE A 113 1.803 7.870 2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -0.218 5.626 2.866 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.354 6.548 4.242 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.624 7.531 0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.284 8.026 4.937 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -2.299 9.266 0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -2.958 9.762 4.468 1.00 0.00 H new ATOM 0 HZ PHE A 113 -3.465 10.389 2.142 1.00 0.00 H new ATOM 1748 N ARG A 114 2.501 4.649 2.886 1.00 0.00 N ATOM 1749 CA ARG A 114 3.470 3.712 3.441 1.00 0.00 C ATOM 1750 C ARG A 114 4.788 3.774 2.674 1.00 0.00 C ATOM 1751 O ARG A 114 4.877 3.319 1.535 1.00 0.00 O ATOM 1752 CB ARG A 114 2.913 2.287 3.403 1.00 0.00 C ATOM 1753 CG ARG A 114 3.862 1.247 3.974 1.00 0.00 C ATOM 1754 CD ARG A 114 3.185 -0.108 4.115 1.00 0.00 C ATOM 1755 NE ARG A 114 2.542 -0.265 5.416 1.00 0.00 N ATOM 1756 CZ ARG A 114 3.212 -0.423 6.553 1.00 0.00 C ATOM 1757 NH1 ARG A 114 4.537 -0.442 6.547 1.00 0.00 N ATOM 1758 NH2 ARG A 114 2.555 -0.560 7.698 1.00 0.00 N ATOM 0 H ARG A 114 1.759 4.214 2.338 1.00 0.00 H new ATOM 0 HA ARG A 114 3.658 3.995 4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.977 2.257 3.960 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.678 2.025 2.371 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.734 1.154 3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.223 1.578 4.948 1.00 0.00 H new ATOM 0 HD2 ARG A 114 2.442 -0.226 3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.923 -0.898 3.978 1.00 0.00 H new ATOM 0 HE ARG A 114 1.523 -0.253 5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.045 -0.335 5.669 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.049 -0.563 7.421 1.00 0.00 H new ATOM 0 HH21 ARG A 114 1.535 -0.544 7.706 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.070 -0.681 8.570 1.00 0.00 H new