USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 729 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 42 HIS : no HE2:sc= -0.574 K(o=-0.5,f=-3.1!) USER MOD Set 1.2: A 57 SER OG : rot 31:sc= 0.0703 USER MOD Single : A 9 HIS : no HE2:sc= 0.264 K(o=0.26,f=-0.94) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.971! K(o=-0.97!,f=-0.35) USER MOD Single : A 24 ASN : amide:sc= -1.48 X(o=-1.5,f=-0.99) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot -49:sc= 1.8 USER MOD Single : A 33 GLN : amide:sc= -0.775 X(o=-0.77,f=-0.63) USER MOD Single : A 34 ASN : amide:sc= -2.29 K(o=-2.3,f=-0.017) USER MOD Single : A 37 SER OG : rot 130:sc= 0.389 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 175:sc= -2.2 (180deg=-2.37) USER MOD Single : A 52 LYS NZ :NH3+ -168:sc= 0.683 (180deg=0.368) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0962 USER MOD Single : A 67 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.37) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 84:sc= 0.944 USER MOD Single : A 77 GLN : amide:sc=-0.00385 K(o=-0.0039,f=-1) USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= -0.0316 (180deg=-0.227) USER MOD Single : A 79 HIS : no HD1:sc=-0.00903 X(o=-0.009,f=-0.44) USER MOD Single : A 95 TYR OH : rot 70:sc= 0.368 USER MOD Single : A 98 MET CE :methyl 176:sc= -3.17! (180deg=-3.32!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N PHE A 5 -6.005 9.959 -2.532 1.00 0.00 N ATOM 63 CA PHE A 5 -4.704 9.663 -1.920 1.00 0.00 C ATOM 64 C PHE A 5 -4.365 10.735 -0.875 1.00 0.00 C ATOM 65 O PHE A 5 -4.554 11.931 -1.113 1.00 0.00 O ATOM 66 CB PHE A 5 -3.599 9.578 -3.004 1.00 0.00 C ATOM 67 CG PHE A 5 -2.198 9.361 -2.439 1.00 0.00 C ATOM 68 CD1 PHE A 5 -1.867 8.162 -1.816 1.00 0.00 C ATOM 69 CD2 PHE A 5 -1.226 10.362 -2.505 1.00 0.00 C ATOM 70 CE1 PHE A 5 -0.616 7.974 -1.282 1.00 0.00 C ATOM 71 CE2 PHE A 5 0.030 10.167 -1.972 1.00 0.00 C ATOM 72 CZ PHE A 5 0.334 8.975 -1.359 1.00 0.00 C ATOM 0 HA PHE A 5 -4.758 8.695 -1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.835 8.763 -3.687 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.606 10.497 -3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.601 7.372 -1.752 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.462 11.302 -2.981 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.373 7.039 -0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.773 10.948 -2.036 1.00 0.00 H new ATOM 0 HZ PHE A 5 1.316 8.820 -0.937 1.00 0.00 H new ATOM 82 N GLU A 6 -3.868 10.277 0.274 1.00 0.00 N ATOM 83 CA GLU A 6 -3.410 11.122 1.387 1.00 0.00 C ATOM 84 C GLU A 6 -2.159 10.460 2.026 1.00 0.00 C ATOM 85 O GLU A 6 -1.962 9.246 1.854 1.00 0.00 O ATOM 86 CB GLU A 6 -4.568 11.265 2.422 1.00 0.00 C ATOM 87 CG GLU A 6 -5.015 9.927 3.048 1.00 0.00 C ATOM 88 CD GLU A 6 -6.294 10.020 3.889 1.00 0.00 C ATOM 89 OE1 GLU A 6 -6.220 10.444 5.062 1.00 0.00 O ATOM 90 OE2 GLU A 6 -7.378 9.653 3.386 1.00 0.00 O ATOM 0 H GLU A 6 -3.768 9.280 0.466 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.138 12.118 1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.250 11.939 3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.424 11.730 1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.170 9.200 2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.209 9.545 3.675 1.00 0.00 H new ATOM 97 N PRO A 7 -1.272 11.234 2.737 1.00 0.00 N ATOM 98 CA PRO A 7 -0.128 10.654 3.487 1.00 0.00 C ATOM 99 C PRO A 7 -0.583 9.598 4.527 1.00 0.00 C ATOM 100 O PRO A 7 -1.165 9.944 5.563 1.00 0.00 O ATOM 101 CB PRO A 7 0.525 11.890 4.171 1.00 0.00 C ATOM 102 CG PRO A 7 0.119 13.051 3.311 1.00 0.00 C ATOM 103 CD PRO A 7 -1.276 12.720 2.822 1.00 0.00 C ATOM 0 HA PRO A 7 0.562 10.114 2.838 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.171 12.011 5.195 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.609 11.791 4.219 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.126 13.982 3.878 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.808 13.181 2.476 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.039 13.080 3.512 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.481 13.177 1.854 1.00 0.00 H new ATOM 111 N GLY A 8 -0.357 8.313 4.207 1.00 0.00 N ATOM 112 CA GLY A 8 -0.677 7.194 5.103 1.00 0.00 C ATOM 113 C GLY A 8 -1.754 6.261 4.558 1.00 0.00 C ATOM 114 O GLY A 8 -1.846 5.098 4.988 1.00 0.00 O ATOM 0 H GLY A 8 0.053 8.023 3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.230 6.618 5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.005 7.591 6.063 1.00 0.00 H new ATOM 118 N HIS A 9 -2.562 6.744 3.587 1.00 0.00 N ATOM 119 CA HIS A 9 -3.750 6.007 3.106 1.00 0.00 C ATOM 120 C HIS A 9 -4.080 6.323 1.631 1.00 0.00 C ATOM 121 O HIS A 9 -4.076 7.471 1.206 1.00 0.00 O ATOM 122 CB HIS A 9 -4.964 6.327 4.023 1.00 0.00 C ATOM 123 CG HIS A 9 -6.285 5.760 3.565 1.00 0.00 C ATOM 124 ND1 HIS A 9 -7.323 6.545 3.117 1.00 0.00 N ATOM 125 CD2 HIS A 9 -6.736 4.484 3.509 1.00 0.00 C ATOM 126 CE1 HIS A 9 -8.347 5.782 2.812 1.00 0.00 C ATOM 127 NE2 HIS A 9 -8.026 4.520 3.043 1.00 0.00 N ATOM 0 H HIS A 9 -2.412 7.640 3.123 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.526 4.941 3.153 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.752 5.949 5.023 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.061 7.410 4.105 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -7.300 7.561 3.035 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.181 3.599 3.782 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.297 6.129 2.434 1.00 0.00 H new ATOM 136 N LEU A 10 -4.372 5.263 0.883 1.00 0.00 N ATOM 137 CA LEU A 10 -4.906 5.303 -0.483 1.00 0.00 C ATOM 138 C LEU A 10 -6.331 4.703 -0.483 1.00 0.00 C ATOM 139 O LEU A 10 -6.603 3.741 0.242 1.00 0.00 O ATOM 140 CB LEU A 10 -3.983 4.462 -1.413 1.00 0.00 C ATOM 141 CG LEU A 10 -4.444 4.312 -2.900 1.00 0.00 C ATOM 142 CD1 LEU A 10 -4.340 5.654 -3.658 1.00 0.00 C ATOM 143 CD2 LEU A 10 -3.658 3.187 -3.614 1.00 0.00 C ATOM 0 H LEU A 10 -4.239 4.310 1.223 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.944 6.331 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.990 4.912 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.883 3.465 -0.984 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.496 4.025 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.668 5.516 -4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.973 6.396 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.306 5.998 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.998 3.104 -4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.594 3.422 -3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.827 2.241 -3.099 1.00 0.00 H new ATOM 155 N HIS A 11 -7.244 5.296 -1.263 1.00 0.00 N ATOM 156 CA HIS A 11 -8.566 4.709 -1.563 1.00 0.00 C ATOM 157 C HIS A 11 -8.839 4.814 -3.070 1.00 0.00 C ATOM 158 O HIS A 11 -8.788 5.912 -3.635 1.00 0.00 O ATOM 159 CB HIS A 11 -9.690 5.425 -0.772 1.00 0.00 C ATOM 160 CG HIS A 11 -11.087 5.044 -1.211 1.00 0.00 C ATOM 161 ND1 HIS A 11 -11.885 5.875 -1.969 1.00 0.00 N ATOM 162 CD2 HIS A 11 -11.804 3.905 -1.034 1.00 0.00 C ATOM 163 CE1 HIS A 11 -13.024 5.271 -2.236 1.00 0.00 C ATOM 164 NE2 HIS A 11 -12.998 4.076 -1.684 1.00 0.00 N ATOM 0 H HIS A 11 -7.090 6.201 -1.708 1.00 0.00 H new ATOM 0 HA HIS A 11 -8.557 3.662 -1.260 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.578 5.196 0.288 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -9.567 6.503 -0.880 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -11.492 3.029 -0.484 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -13.840 5.685 -2.810 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -13.748 3.387 -1.733 1.00 0.00 H new ATOM 173 N LEU A 12 -9.163 3.674 -3.701 1.00 0.00 N ATOM 174 CA LEU A 12 -9.463 3.602 -5.139 1.00 0.00 C ATOM 175 C LEU A 12 -10.864 2.997 -5.370 1.00 0.00 C ATOM 176 O LEU A 12 -11.113 1.819 -5.100 1.00 0.00 O ATOM 177 CB LEU A 12 -8.358 2.808 -5.934 1.00 0.00 C ATOM 178 CG LEU A 12 -7.918 1.394 -5.410 1.00 0.00 C ATOM 179 CD1 LEU A 12 -7.153 0.595 -6.496 1.00 0.00 C ATOM 180 CD2 LEU A 12 -7.061 1.493 -4.123 1.00 0.00 C ATOM 0 H LEU A 12 -9.224 2.773 -3.226 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.460 4.620 -5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.712 2.685 -6.958 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.468 3.435 -5.978 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.835 0.857 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.865 -0.377 -6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.796 0.455 -7.365 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.260 1.145 -6.791 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.779 0.492 -3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.162 2.074 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.638 1.982 -3.338 1.00 0.00 H new ATOM 192 N VAL A 13 -11.778 3.860 -5.825 1.00 0.00 N ATOM 193 CA VAL A 13 -13.069 3.471 -6.425 1.00 0.00 C ATOM 194 C VAL A 13 -12.923 3.682 -7.950 1.00 0.00 C ATOM 195 O VAL A 13 -12.045 4.462 -8.373 1.00 0.00 O ATOM 196 CB VAL A 13 -14.264 4.315 -5.817 1.00 0.00 C ATOM 197 CG1 VAL A 13 -14.034 5.833 -5.977 1.00 0.00 C ATOM 198 CG2 VAL A 13 -15.637 3.905 -6.407 1.00 0.00 C ATOM 0 H VAL A 13 -11.643 4.870 -5.788 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.309 2.430 -6.207 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.285 4.087 -4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.876 6.376 -5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.117 6.118 -5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.946 6.078 -7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.422 4.513 -5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.630 4.060 -7.486 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -15.825 2.853 -6.193 1.00 0.00 H new ATOM 307 N GLN A 21 -17.508 -0.658 -12.736 1.00 0.00 N ATOM 308 CA GLN A 21 -17.614 -1.865 -11.878 1.00 0.00 C ATOM 309 C GLN A 21 -17.579 -1.443 -10.393 1.00 0.00 C ATOM 310 O GLN A 21 -17.063 -0.370 -10.067 1.00 0.00 O ATOM 311 CB GLN A 21 -16.467 -2.878 -12.168 1.00 0.00 C ATOM 312 CG GLN A 21 -16.668 -4.277 -11.529 1.00 0.00 C ATOM 313 CD GLN A 21 -15.414 -5.148 -11.508 1.00 0.00 C ATOM 314 OE1 GLN A 21 -14.532 -5.022 -12.346 1.00 0.00 O ATOM 315 NE2 GLN A 21 -15.326 -6.038 -10.534 1.00 0.00 N ATOM 0 HA GLN A 21 -18.558 -2.361 -12.103 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.368 -2.996 -13.247 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.528 -2.458 -11.806 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.023 -4.148 -10.507 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -17.452 -4.803 -12.075 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -16.077 -6.121 -9.849 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.507 -6.642 -10.468 1.00 0.00 H new ATOM 324 N ASP A 22 -18.095 -2.292 -9.489 1.00 0.00 N ATOM 325 CA ASP A 22 -18.179 -1.978 -8.056 1.00 0.00 C ATOM 326 C ASP A 22 -16.855 -2.352 -7.347 1.00 0.00 C ATOM 327 O ASP A 22 -16.836 -3.094 -6.363 1.00 0.00 O ATOM 328 CB ASP A 22 -19.412 -2.687 -7.425 1.00 0.00 C ATOM 329 CG ASP A 22 -19.694 -2.208 -5.991 1.00 0.00 C ATOM 330 OD1 ASP A 22 -20.140 -1.054 -5.829 1.00 0.00 O ATOM 331 OD2 ASP A 22 -19.442 -2.954 -5.023 1.00 0.00 O ATOM 0 H ASP A 22 -18.464 -3.212 -9.731 1.00 0.00 H new ATOM 0 HA ASP A 22 -18.321 -0.905 -7.925 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -20.289 -2.504 -8.045 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -19.245 -3.764 -7.419 1.00 0.00 H new ATOM 336 N ILE A 23 -15.734 -1.836 -7.883 1.00 0.00 N ATOM 337 CA ILE A 23 -14.421 -1.962 -7.240 1.00 0.00 C ATOM 338 C ILE A 23 -14.236 -0.756 -6.309 1.00 0.00 C ATOM 339 O ILE A 23 -14.293 0.405 -6.733 1.00 0.00 O ATOM 340 CB ILE A 23 -13.231 -2.144 -8.277 1.00 0.00 C ATOM 341 CG1 ILE A 23 -12.950 -0.885 -9.177 1.00 0.00 C ATOM 342 CG2 ILE A 23 -13.496 -3.390 -9.142 1.00 0.00 C ATOM 343 CD1 ILE A 23 -11.763 -0.024 -8.737 1.00 0.00 C ATOM 0 H ILE A 23 -15.716 -1.325 -8.766 1.00 0.00 H new ATOM 0 HA ILE A 23 -14.390 -2.880 -6.653 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.323 -2.273 -7.688 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -12.777 -1.220 -10.200 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -13.844 -0.262 -9.193 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.681 -3.518 -9.855 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.560 -4.270 -8.502 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -14.434 -3.265 -9.682 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.651 0.818 -9.420 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.938 0.348 -7.728 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.853 -0.624 -8.750 1.00 0.00 H new ATOM 355 N ASN A 24 -14.153 -1.059 -5.017 1.00 0.00 N ATOM 356 CA ASN A 24 -14.038 -0.074 -3.943 1.00 0.00 C ATOM 357 C ASN A 24 -13.005 -0.638 -2.969 1.00 0.00 C ATOM 358 O ASN A 24 -13.296 -1.589 -2.237 1.00 0.00 O ATOM 359 CB ASN A 24 -15.407 0.134 -3.227 1.00 0.00 C ATOM 360 CG ASN A 24 -16.587 0.408 -4.167 1.00 0.00 C ATOM 361 OD1 ASN A 24 -16.889 1.554 -4.497 1.00 0.00 O ATOM 362 ND2 ASN A 24 -17.256 -0.638 -4.608 1.00 0.00 N ATOM 0 H ASN A 24 -14.164 -2.021 -4.678 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.738 0.899 -4.331 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -15.630 -0.753 -2.635 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.314 0.967 -2.530 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -18.046 -0.509 -5.240 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -16.983 -1.577 -4.318 1.00 0.00 H new ATOM 369 N ILE A 25 -11.802 -0.060 -2.964 1.00 0.00 N ATOM 370 CA ILE A 25 -10.629 -0.668 -2.313 1.00 0.00 C ATOM 371 C ILE A 25 -9.991 0.344 -1.359 1.00 0.00 C ATOM 372 O ILE A 25 -9.781 1.508 -1.713 1.00 0.00 O ATOM 373 CB ILE A 25 -9.560 -1.157 -3.365 1.00 0.00 C ATOM 374 CG1 ILE A 25 -10.221 -2.072 -4.454 1.00 0.00 C ATOM 375 CG2 ILE A 25 -8.360 -1.876 -2.671 1.00 0.00 C ATOM 376 CD1 ILE A 25 -9.301 -2.523 -5.575 1.00 0.00 C ATOM 0 H ILE A 25 -11.609 0.838 -3.407 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.970 -1.542 -1.758 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.162 -0.275 -3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.627 -2.956 -3.963 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.063 -1.536 -4.892 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.643 -2.199 -3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.873 -1.187 -1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.724 -2.744 -2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.857 -3.150 -6.272 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.914 -1.650 -6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.471 -3.093 -5.157 1.00 0.00 H new ATOM 388 N HIS A 26 -9.699 -0.127 -0.155 1.00 0.00 N ATOM 389 CA HIS A 26 -9.001 0.618 0.884 1.00 0.00 C ATOM 390 C HIS A 26 -7.589 0.023 0.984 1.00 0.00 C ATOM 391 O HIS A 26 -7.452 -1.179 1.241 1.00 0.00 O ATOM 392 CB HIS A 26 -9.727 0.458 2.250 1.00 0.00 C ATOM 393 CG HIS A 26 -11.196 0.801 2.268 1.00 0.00 C ATOM 394 ND1 HIS A 26 -11.690 1.974 2.801 1.00 0.00 N ATOM 395 CD2 HIS A 26 -12.287 0.084 1.890 1.00 0.00 C ATOM 396 CE1 HIS A 26 -13.004 1.964 2.751 1.00 0.00 C ATOM 397 NE2 HIS A 26 -13.390 0.831 2.205 1.00 0.00 N ATOM 0 H HIS A 26 -9.950 -1.072 0.136 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.973 1.680 0.640 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.612 -0.574 2.580 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.220 1.085 2.983 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -12.284 -0.892 1.428 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -13.656 2.752 3.099 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.358 0.553 2.042 1.00 0.00 H new ATOM 406 N ILE A 27 -6.555 0.835 0.734 1.00 0.00 N ATOM 407 CA ILE A 27 -5.149 0.430 0.913 1.00 0.00 C ATOM 408 C ILE A 27 -4.494 1.373 1.934 1.00 0.00 C ATOM 409 O ILE A 27 -4.369 2.561 1.694 1.00 0.00 O ATOM 410 CB ILE A 27 -4.348 0.440 -0.451 1.00 0.00 C ATOM 411 CG1 ILE A 27 -4.986 -0.572 -1.468 1.00 0.00 C ATOM 412 CG2 ILE A 27 -2.837 0.132 -0.228 1.00 0.00 C ATOM 413 CD1 ILE A 27 -4.288 -0.672 -2.819 1.00 0.00 C ATOM 0 H ILE A 27 -6.666 1.793 0.401 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.125 -0.596 1.279 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.415 1.442 -0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.998 -1.561 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.024 -0.286 -1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.317 0.147 -1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.405 0.886 0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.730 -0.852 0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.808 -1.397 -3.445 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.299 0.302 -3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.257 -0.993 -2.673 1.00 0.00 H new ATOM 425 N ARG A 28 -4.119 0.827 3.082 1.00 0.00 N ATOM 426 CA ARG A 28 -3.402 1.540 4.145 1.00 0.00 C ATOM 427 C ARG A 28 -1.944 1.107 4.109 1.00 0.00 C ATOM 428 O ARG A 28 -1.658 -0.077 3.952 1.00 0.00 O ATOM 429 CB ARG A 28 -4.011 1.209 5.535 1.00 0.00 C ATOM 430 CG ARG A 28 -5.413 1.793 5.760 1.00 0.00 C ATOM 431 CD ARG A 28 -6.123 1.224 6.999 1.00 0.00 C ATOM 432 NE ARG A 28 -5.392 1.465 8.257 1.00 0.00 N ATOM 433 CZ ARG A 28 -5.949 1.851 9.415 1.00 0.00 C ATOM 434 NH1 ARG A 28 -7.238 2.175 9.475 1.00 0.00 N ATOM 435 NH2 ARG A 28 -5.207 1.920 10.507 1.00 0.00 N ATOM 0 H ARG A 28 -4.307 -0.149 3.312 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.487 2.615 3.985 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.057 0.126 5.651 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.344 1.585 6.311 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.335 2.876 5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.025 1.598 4.879 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.116 1.667 7.074 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.261 0.151 6.868 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.381 1.327 8.246 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.814 2.131 8.635 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.650 2.467 10.361 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.216 1.680 10.466 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.625 2.213 11.390 1.00 0.00 H new ATOM 449 N TYR A 29 -1.035 2.066 4.214 1.00 0.00 N ATOM 450 CA TYR A 29 0.375 1.793 4.464 1.00 0.00 C ATOM 451 C TYR A 29 0.755 2.528 5.754 1.00 0.00 C ATOM 452 O TYR A 29 0.679 3.755 5.833 1.00 0.00 O ATOM 453 CB TYR A 29 1.240 2.196 3.233 1.00 0.00 C ATOM 454 CG TYR A 29 1.075 3.638 2.733 1.00 0.00 C ATOM 455 CD1 TYR A 29 0.074 3.978 1.812 1.00 0.00 C ATOM 456 CD2 TYR A 29 1.918 4.656 3.179 1.00 0.00 C ATOM 457 CE1 TYR A 29 -0.069 5.276 1.368 1.00 0.00 C ATOM 458 CE2 TYR A 29 1.769 5.945 2.741 1.00 0.00 C ATOM 459 CZ TYR A 29 0.781 6.251 1.837 1.00 0.00 C ATOM 460 OH TYR A 29 0.632 7.548 1.428 1.00 0.00 O ATOM 0 H TYR A 29 -1.254 3.058 4.128 1.00 0.00 H new ATOM 0 HA TYR A 29 0.564 0.728 4.602 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.289 2.038 3.485 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.004 1.519 2.412 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.594 3.213 1.445 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.703 4.423 3.883 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.843 5.525 0.657 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.427 6.720 3.106 1.00 0.00 H new ATOM 0 HH TYR A 29 0.558 7.577 0.451 1.00 0.00 H new ATOM 470 N GLU A 30 1.123 1.753 6.780 1.00 0.00 N ATOM 471 CA GLU A 30 1.373 2.264 8.132 1.00 0.00 C ATOM 472 C GLU A 30 2.801 1.914 8.526 1.00 0.00 C ATOM 473 O GLU A 30 3.125 0.741 8.723 1.00 0.00 O ATOM 474 CB GLU A 30 0.348 1.620 9.107 1.00 0.00 C ATOM 475 CG GLU A 30 -1.130 1.907 8.753 1.00 0.00 C ATOM 476 CD GLU A 30 -2.118 1.038 9.538 1.00 0.00 C ATOM 477 OE1 GLU A 30 -2.251 1.228 10.766 1.00 0.00 O ATOM 478 OE2 GLU A 30 -2.780 0.168 8.934 1.00 0.00 O ATOM 0 H GLU A 30 1.257 0.745 6.695 1.00 0.00 H new ATOM 0 HA GLU A 30 1.255 3.347 8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.504 0.541 9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.545 1.983 10.116 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.346 2.958 8.947 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.280 1.743 7.686 1.00 0.00 H new ATOM 485 N VAL A 31 3.647 2.936 8.643 1.00 0.00 N ATOM 486 CA VAL A 31 5.064 2.754 8.950 1.00 0.00 C ATOM 487 C VAL A 31 5.248 2.582 10.460 1.00 0.00 C ATOM 488 O VAL A 31 4.891 3.467 11.247 1.00 0.00 O ATOM 489 CB VAL A 31 5.920 3.953 8.406 1.00 0.00 C ATOM 490 CG1 VAL A 31 7.435 3.748 8.674 1.00 0.00 C ATOM 491 CG2 VAL A 31 5.647 4.162 6.897 1.00 0.00 C ATOM 0 H VAL A 31 3.370 3.911 8.528 1.00 0.00 H new ATOM 0 HA VAL A 31 5.418 1.852 8.450 1.00 0.00 H new ATOM 0 HB VAL A 31 5.619 4.852 8.945 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.992 4.599 8.282 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.607 3.665 9.747 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.772 2.836 8.181 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.246 4.996 6.531 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.912 3.257 6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.590 4.380 6.745 1.00 0.00 H new ATOM 501 N ARG A 32 5.771 1.412 10.843 1.00 0.00 N ATOM 502 CA ARG A 32 6.155 1.089 12.224 1.00 0.00 C ATOM 503 C ARG A 32 7.631 0.671 12.221 1.00 0.00 C ATOM 504 O ARG A 32 8.170 0.293 11.176 1.00 0.00 O ATOM 505 CB ARG A 32 5.268 -0.054 12.788 1.00 0.00 C ATOM 506 CG ARG A 32 5.462 -0.344 14.302 1.00 0.00 C ATOM 507 CD ARG A 32 5.009 -1.749 14.698 1.00 0.00 C ATOM 508 NE ARG A 32 5.051 -1.961 16.162 1.00 0.00 N ATOM 509 CZ ARG A 32 4.029 -2.415 16.911 1.00 0.00 C ATOM 510 NH1 ARG A 32 2.846 -2.678 16.364 1.00 0.00 N ATOM 511 NH2 ARG A 32 4.187 -2.594 18.213 1.00 0.00 N ATOM 0 H ARG A 32 5.943 0.648 10.190 1.00 0.00 H new ATOM 0 HA ARG A 32 6.012 1.960 12.863 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.222 0.197 12.612 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.476 -0.966 12.228 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.514 -0.220 14.559 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.903 0.390 14.883 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.994 -1.916 14.338 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.646 -2.485 14.208 1.00 0.00 H new ATOM 0 HE ARG A 32 5.925 -1.746 16.642 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.704 -2.536 15.364 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.081 -3.022 16.944 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.085 -2.388 18.651 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.411 -2.938 18.778 1.00 0.00 H new ATOM 525 N GLN A 33 8.290 0.752 13.380 1.00 0.00 N ATOM 526 CA GLN A 33 9.707 0.401 13.512 1.00 0.00 C ATOM 527 C GLN A 33 9.863 -0.909 14.312 1.00 0.00 C ATOM 528 O GLN A 33 9.418 -0.995 15.461 1.00 0.00 O ATOM 529 CB GLN A 33 10.500 1.551 14.203 1.00 0.00 C ATOM 530 CG GLN A 33 10.266 2.971 13.644 1.00 0.00 C ATOM 531 CD GLN A 33 10.693 3.145 12.187 1.00 0.00 C ATOM 532 OE1 GLN A 33 11.850 3.449 11.898 1.00 0.00 O ATOM 533 NE2 GLN A 33 9.755 3.004 11.259 1.00 0.00 N ATOM 0 H GLN A 33 7.858 1.062 14.251 1.00 0.00 H new ATOM 0 HA GLN A 33 10.116 0.254 12.512 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.246 1.554 15.263 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.564 1.325 14.131 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.207 3.215 13.733 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.811 3.687 14.259 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.804 2.751 11.529 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.985 3.148 10.276 1.00 0.00 H new ATOM 542 N ASN A 34 10.457 -1.933 13.675 1.00 0.00 N ATOM 543 CA ASN A 34 10.931 -3.162 14.351 1.00 0.00 C ATOM 544 C ASN A 34 12.431 -3.012 14.686 1.00 0.00 C ATOM 545 O ASN A 34 13.138 -2.254 14.025 1.00 0.00 O ATOM 546 CB ASN A 34 10.679 -4.443 13.478 1.00 0.00 C ATOM 547 CG ASN A 34 10.992 -4.329 11.971 1.00 0.00 C ATOM 548 OD1 ASN A 34 10.435 -5.072 11.172 1.00 0.00 O ATOM 549 ND2 ASN A 34 11.861 -3.425 11.555 1.00 0.00 N ATOM 0 H ASN A 34 10.625 -1.935 12.669 1.00 0.00 H new ATOM 0 HA ASN A 34 10.363 -3.291 15.272 1.00 0.00 H new ATOM 0 HB2 ASN A 34 11.276 -5.257 13.889 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.633 -4.729 13.587 1.00 0.00 H new ATOM 0 HD21 ASN A 34 12.073 -3.341 10.561 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.320 -2.811 12.228 1.00 0.00 H new ATOM 556 N ALA A 35 12.911 -3.735 15.706 1.00 0.00 N ATOM 557 CA ALA A 35 14.334 -3.706 16.106 1.00 0.00 C ATOM 558 C ALA A 35 15.230 -4.412 15.061 1.00 0.00 C ATOM 559 O ALA A 35 16.402 -4.061 14.898 1.00 0.00 O ATOM 560 CB ALA A 35 14.496 -4.350 17.492 1.00 0.00 C ATOM 0 H ALA A 35 12.334 -4.353 16.276 1.00 0.00 H new ATOM 0 HA ALA A 35 14.657 -2.666 16.157 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.546 -4.327 17.783 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.905 -3.797 18.222 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.152 -5.384 17.455 1.00 0.00 H new ATOM 566 N GLU A 36 14.638 -5.381 14.341 1.00 0.00 N ATOM 567 CA GLU A 36 15.356 -6.262 13.403 1.00 0.00 C ATOM 568 C GLU A 36 15.724 -5.543 12.087 1.00 0.00 C ATOM 569 O GLU A 36 16.897 -5.521 11.695 1.00 0.00 O ATOM 570 CB GLU A 36 14.482 -7.511 13.114 1.00 0.00 C ATOM 571 CG GLU A 36 15.097 -8.515 12.123 1.00 0.00 C ATOM 572 CD GLU A 36 14.225 -9.758 11.904 1.00 0.00 C ATOM 573 OE1 GLU A 36 14.249 -10.670 12.755 1.00 0.00 O ATOM 574 OE2 GLU A 36 13.511 -9.832 10.882 1.00 0.00 O ATOM 0 H GLU A 36 13.638 -5.576 14.394 1.00 0.00 H new ATOM 0 HA GLU A 36 16.295 -6.561 13.868 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.286 -8.025 14.055 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.519 -7.181 12.724 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.258 -8.019 11.166 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.075 -8.825 12.490 1.00 0.00 H new ATOM 581 N SER A 37 14.717 -4.953 11.417 1.00 0.00 N ATOM 582 CA SER A 37 14.884 -4.344 10.075 1.00 0.00 C ATOM 583 C SER A 37 14.818 -2.801 10.140 1.00 0.00 C ATOM 584 O SER A 37 14.970 -2.123 9.117 1.00 0.00 O ATOM 585 CB SER A 37 13.796 -4.914 9.123 1.00 0.00 C ATOM 586 OG SER A 37 13.977 -4.479 7.784 1.00 0.00 O ATOM 0 H SER A 37 13.768 -4.883 11.784 1.00 0.00 H new ATOM 0 HA SER A 37 15.871 -4.599 9.689 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.820 -6.003 9.156 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.811 -4.606 9.474 1.00 0.00 H new ATOM 0 HG SER A 37 13.948 -5.252 7.182 1.00 0.00 H new ATOM 592 N GLY A 38 14.587 -2.254 11.346 1.00 0.00 N ATOM 593 CA GLY A 38 14.459 -0.809 11.534 1.00 0.00 C ATOM 594 C GLY A 38 13.072 -0.338 11.136 1.00 0.00 C ATOM 595 O GLY A 38 12.100 -0.672 11.798 1.00 0.00 O ATOM 0 H GLY A 38 14.486 -2.797 12.203 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.650 -0.554 12.577 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.210 -0.291 10.937 1.00 0.00 H new ATOM 599 N ALA A 39 12.980 0.402 10.035 1.00 0.00 N ATOM 600 CA ALA A 39 11.695 0.808 9.452 1.00 0.00 C ATOM 601 C ALA A 39 11.085 -0.343 8.634 1.00 0.00 C ATOM 602 O ALA A 39 11.799 -1.064 7.926 1.00 0.00 O ATOM 603 CB ALA A 39 11.873 2.065 8.576 1.00 0.00 C ATOM 0 H ALA A 39 13.792 0.740 9.518 1.00 0.00 H new ATOM 0 HA ALA A 39 11.009 1.050 10.264 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.911 2.352 8.152 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.259 2.882 9.186 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.575 1.851 7.770 1.00 0.00 H new ATOM 609 N TYR A 40 9.769 -0.522 8.777 1.00 0.00 N ATOM 610 CA TYR A 40 8.966 -1.409 7.916 1.00 0.00 C ATOM 611 C TYR A 40 7.564 -0.805 7.785 1.00 0.00 C ATOM 612 O TYR A 40 7.202 0.116 8.533 1.00 0.00 O ATOM 613 CB TYR A 40 8.922 -2.879 8.461 1.00 0.00 C ATOM 614 CG TYR A 40 7.835 -3.192 9.514 1.00 0.00 C ATOM 615 CD1 TYR A 40 8.012 -2.875 10.862 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.627 -3.810 9.148 1.00 0.00 C ATOM 617 CE1 TYR A 40 7.043 -3.170 11.801 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.657 -4.096 10.083 1.00 0.00 C ATOM 619 CZ TYR A 40 5.865 -3.775 11.405 1.00 0.00 C ATOM 620 OH TYR A 40 4.900 -4.085 12.337 1.00 0.00 O ATOM 0 H TYR A 40 9.222 -0.053 9.499 1.00 0.00 H new ATOM 0 HA TYR A 40 9.429 -1.477 6.932 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.782 -3.552 7.615 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.894 -3.111 8.895 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.924 -2.390 11.177 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.456 -4.066 8.113 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.205 -2.929 12.841 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.736 -4.571 9.780 1.00 0.00 H new ATOM 0 HH TYR A 40 4.136 -4.504 11.889 1.00 0.00 H new ATOM 630 N VAL A 41 6.773 -1.314 6.830 1.00 0.00 N ATOM 631 CA VAL A 41 5.423 -0.800 6.575 1.00 0.00 C ATOM 632 C VAL A 41 4.409 -1.962 6.586 1.00 0.00 C ATOM 633 O VAL A 41 4.594 -2.972 5.893 1.00 0.00 O ATOM 634 CB VAL A 41 5.333 -0.031 5.204 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.024 0.774 5.104 1.00 0.00 C ATOM 636 CG2 VAL A 41 6.555 0.882 4.959 1.00 0.00 C ATOM 0 H VAL A 41 7.048 -2.084 6.220 1.00 0.00 H new ATOM 0 HA VAL A 41 5.186 -0.092 7.369 1.00 0.00 H new ATOM 0 HB VAL A 41 5.335 -0.788 4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.989 1.295 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.174 0.096 5.180 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.981 1.501 5.915 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.444 1.389 4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.622 1.623 5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.463 0.279 4.947 1.00 0.00 H new ATOM 646 N HIS A 42 3.357 -1.805 7.399 1.00 0.00 N ATOM 647 CA HIS A 42 2.194 -2.699 7.434 1.00 0.00 C ATOM 648 C HIS A 42 1.182 -2.241 6.368 1.00 0.00 C ATOM 649 O HIS A 42 0.626 -1.142 6.477 1.00 0.00 O ATOM 650 CB HIS A 42 1.559 -2.683 8.863 1.00 0.00 C ATOM 651 CG HIS A 42 0.156 -3.255 8.950 1.00 0.00 C ATOM 652 ND1 HIS A 42 -0.117 -4.601 8.912 1.00 0.00 N ATOM 653 CD2 HIS A 42 -1.051 -2.640 9.057 1.00 0.00 C ATOM 654 CE1 HIS A 42 -1.419 -4.789 8.985 1.00 0.00 C ATOM 655 NE2 HIS A 42 -2.006 -3.619 9.075 1.00 0.00 N ATOM 0 H HIS A 42 3.290 -1.036 8.065 1.00 0.00 H new ATOM 0 HA HIS A 42 2.496 -3.723 7.213 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.206 -3.244 9.538 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.538 -1.654 9.223 1.00 0.00 H new ATOM 0 HD1 HIS A 42 0.581 -5.341 8.839 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.224 -1.576 9.117 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -1.919 -5.746 8.973 1.00 0.00 H new ATOM 664 N PHE A 43 0.954 -3.075 5.343 1.00 0.00 N ATOM 665 CA PHE A 43 -0.013 -2.782 4.273 1.00 0.00 C ATOM 666 C PHE A 43 -1.318 -3.541 4.555 1.00 0.00 C ATOM 667 O PHE A 43 -1.357 -4.773 4.500 1.00 0.00 O ATOM 668 CB PHE A 43 0.576 -3.173 2.892 1.00 0.00 C ATOM 669 CG PHE A 43 1.922 -2.508 2.598 1.00 0.00 C ATOM 670 CD1 PHE A 43 1.983 -1.194 2.147 1.00 0.00 C ATOM 671 CD2 PHE A 43 3.122 -3.192 2.793 1.00 0.00 C ATOM 672 CE1 PHE A 43 3.197 -0.588 1.889 1.00 0.00 C ATOM 673 CE2 PHE A 43 4.332 -2.584 2.533 1.00 0.00 C ATOM 674 CZ PHE A 43 4.372 -1.283 2.085 1.00 0.00 C ATOM 0 H PHE A 43 1.433 -3.969 5.232 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.224 -1.713 4.250 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.696 -4.255 2.849 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.134 -2.900 2.111 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.068 -0.640 1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.103 -4.210 3.152 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.226 0.431 1.533 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.252 -3.130 2.681 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.321 -0.808 1.887 1.00 0.00 H new ATOM 684 N ASP A 44 -2.371 -2.785 4.882 1.00 0.00 N ATOM 685 CA ASP A 44 -3.701 -3.323 5.202 1.00 0.00 C ATOM 686 C ASP A 44 -4.661 -3.031 4.043 1.00 0.00 C ATOM 687 O ASP A 44 -4.817 -1.884 3.651 1.00 0.00 O ATOM 688 CB ASP A 44 -4.205 -2.673 6.516 1.00 0.00 C ATOM 689 CG ASP A 44 -5.646 -3.074 6.889 1.00 0.00 C ATOM 690 OD1 ASP A 44 -5.860 -4.232 7.303 1.00 0.00 O ATOM 691 OD2 ASP A 44 -6.565 -2.235 6.777 1.00 0.00 O ATOM 0 H ASP A 44 -2.325 -1.767 4.933 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.649 -4.403 5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.536 -2.953 7.330 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.152 -1.589 6.419 1.00 0.00 H new ATOM 696 N MET A 45 -5.298 -4.069 3.499 1.00 0.00 N ATOM 697 CA MET A 45 -6.249 -3.938 2.378 1.00 0.00 C ATOM 698 C MET A 45 -7.598 -4.555 2.752 1.00 0.00 C ATOM 699 O MET A 45 -7.652 -5.606 3.402 1.00 0.00 O ATOM 700 CB MET A 45 -5.708 -4.621 1.092 1.00 0.00 C ATOM 701 CG MET A 45 -4.481 -3.954 0.461 1.00 0.00 C ATOM 702 SD MET A 45 -3.878 -4.864 -0.978 1.00 0.00 S ATOM 703 CE MET A 45 -5.353 -4.945 -2.002 1.00 0.00 C ATOM 0 H MET A 45 -5.173 -5.029 3.819 1.00 0.00 H new ATOM 0 HA MET A 45 -6.376 -2.874 2.177 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.457 -5.655 1.328 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.507 -4.648 0.351 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.734 -2.936 0.166 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.686 -3.882 1.203 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.106 -5.401 -2.961 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.112 -5.545 -1.500 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.737 -3.938 -2.168 1.00 0.00 H new ATOM 713 N ASP A 46 -8.673 -3.883 2.335 1.00 0.00 N ATOM 714 CA ASP A 46 -10.050 -4.375 2.480 1.00 0.00 C ATOM 715 C ASP A 46 -10.970 -3.626 1.510 1.00 0.00 C ATOM 716 O ASP A 46 -10.554 -2.657 0.882 1.00 0.00 O ATOM 717 CB ASP A 46 -10.563 -4.211 3.940 1.00 0.00 C ATOM 718 CG ASP A 46 -10.671 -2.739 4.388 1.00 0.00 C ATOM 719 OD1 ASP A 46 -9.648 -2.155 4.792 1.00 0.00 O ATOM 720 OD2 ASP A 46 -11.777 -2.154 4.326 1.00 0.00 O ATOM 0 H ASP A 46 -8.614 -2.971 1.882 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.058 -5.439 2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.541 -4.683 4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.891 -4.741 4.615 1.00 0.00 H new ATOM 725 N GLY A 47 -12.210 -4.101 1.376 1.00 0.00 N ATOM 726 CA GLY A 47 -13.240 -3.384 0.621 1.00 0.00 C ATOM 727 C GLY A 47 -14.257 -4.324 0.018 1.00 0.00 C ATOM 728 O GLY A 47 -14.663 -5.271 0.675 1.00 0.00 O ATOM 0 H GLY A 47 -12.526 -4.982 1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.745 -2.677 1.279 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.769 -2.802 -0.172 1.00 0.00 H new ATOM 732 N GLU A 48 -14.644 -4.064 -1.236 1.00 0.00 N ATOM 733 CA GLU A 48 -15.623 -4.861 -1.995 1.00 0.00 C ATOM 734 C GLU A 48 -15.311 -4.722 -3.490 1.00 0.00 C ATOM 735 O GLU A 48 -14.706 -3.724 -3.895 1.00 0.00 O ATOM 736 CB GLU A 48 -17.063 -4.390 -1.652 1.00 0.00 C ATOM 737 CG GLU A 48 -17.339 -2.900 -1.969 1.00 0.00 C ATOM 738 CD GLU A 48 -18.555 -2.333 -1.224 1.00 0.00 C ATOM 739 OE1 GLU A 48 -19.688 -2.749 -1.511 1.00 0.00 O ATOM 740 OE2 GLU A 48 -18.381 -1.482 -0.324 1.00 0.00 O ATOM 0 H GLU A 48 -14.278 -3.274 -1.767 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.557 -5.915 -1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -17.775 -5.004 -2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.247 -4.564 -0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.458 -2.312 -1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -17.495 -2.787 -3.042 1.00 0.00 H new ATOM 747 N ILE A 49 -15.757 -5.687 -4.326 1.00 0.00 N ATOM 748 CA ILE A 49 -15.307 -5.802 -5.732 1.00 0.00 C ATOM 749 C ILE A 49 -16.438 -6.568 -6.439 1.00 0.00 C ATOM 750 O ILE A 49 -16.605 -7.771 -6.186 1.00 0.00 O ATOM 751 CB ILE A 49 -13.905 -6.513 -5.964 1.00 0.00 C ATOM 752 CG1 ILE A 49 -12.722 -5.605 -5.483 1.00 0.00 C ATOM 753 CG2 ILE A 49 -13.717 -6.885 -7.465 1.00 0.00 C ATOM 754 CD1 ILE A 49 -11.336 -6.197 -5.634 1.00 0.00 C ATOM 0 H ILE A 49 -16.431 -6.400 -4.049 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.126 -4.803 -6.128 1.00 0.00 H new ATOM 0 HB ILE A 49 -13.897 -7.428 -5.371 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -12.759 -4.668 -6.038 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.880 -5.360 -4.433 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.751 -7.371 -7.601 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.511 -7.565 -7.774 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.757 -5.980 -8.072 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.595 -5.485 -5.271 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.269 -7.118 -5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.146 -6.415 -6.685 1.00 0.00 H new ATOM 766 N ASP A 50 -17.245 -5.854 -7.253 1.00 0.00 N ATOM 767 CA ASP A 50 -18.491 -6.390 -7.850 1.00 0.00 C ATOM 768 C ASP A 50 -19.450 -6.830 -6.709 1.00 0.00 C ATOM 769 O ASP A 50 -19.958 -7.959 -6.672 1.00 0.00 O ATOM 770 CB ASP A 50 -18.180 -7.530 -8.879 1.00 0.00 C ATOM 771 CG ASP A 50 -19.414 -8.023 -9.671 1.00 0.00 C ATOM 772 OD1 ASP A 50 -19.849 -7.317 -10.606 1.00 0.00 O ATOM 773 OD2 ASP A 50 -19.951 -9.115 -9.371 1.00 0.00 O ATOM 0 H ASP A 50 -17.052 -4.888 -7.516 1.00 0.00 H new ATOM 0 HA ASP A 50 -18.996 -5.614 -8.425 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.429 -7.173 -9.584 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -17.742 -8.375 -8.347 1.00 0.00 H new ATOM 778 N GLY A 51 -19.610 -5.923 -5.721 1.00 0.00 N ATOM 779 CA GLY A 51 -20.488 -6.137 -4.563 1.00 0.00 C ATOM 780 C GLY A 51 -19.839 -6.911 -3.412 1.00 0.00 C ATOM 781 O GLY A 51 -20.111 -6.631 -2.240 1.00 0.00 O ATOM 0 H GLY A 51 -19.131 -5.023 -5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.821 -5.168 -4.191 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.377 -6.675 -4.891 1.00 0.00 H new ATOM 785 N LYS A 52 -18.969 -7.876 -3.750 1.00 0.00 N ATOM 786 CA LYS A 52 -18.439 -8.883 -2.809 1.00 0.00 C ATOM 787 C LYS A 52 -17.185 -8.378 -2.066 1.00 0.00 C ATOM 788 O LYS A 52 -16.234 -7.943 -2.717 1.00 0.00 O ATOM 789 CB LYS A 52 -18.111 -10.164 -3.606 1.00 0.00 C ATOM 790 CG LYS A 52 -19.368 -10.912 -4.107 1.00 0.00 C ATOM 791 CD LYS A 52 -19.054 -12.107 -5.035 1.00 0.00 C ATOM 792 CE LYS A 52 -18.466 -11.663 -6.384 1.00 0.00 C ATOM 793 NZ LYS A 52 -19.397 -10.777 -7.128 1.00 0.00 N ATOM 0 H LYS A 52 -18.607 -7.982 -4.698 1.00 0.00 H new ATOM 0 HA LYS A 52 -19.193 -9.086 -2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -17.488 -9.902 -4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.524 -10.834 -2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -19.933 -11.271 -3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -20.009 -10.210 -4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.351 -12.775 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -19.966 -12.677 -5.210 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.524 -11.141 -6.215 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.240 -12.541 -6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.062 -10.664 -8.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -20.347 -11.199 -7.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.435 -9.846 -6.665 1.00 0.00 H new ATOM 807 N PRO A 53 -17.149 -8.470 -0.693 1.00 0.00 N ATOM 808 CA PRO A 53 -16.018 -7.963 0.123 1.00 0.00 C ATOM 809 C PRO A 53 -14.747 -8.846 0.048 1.00 0.00 C ATOM 810 O PRO A 53 -14.807 -10.018 -0.350 1.00 0.00 O ATOM 811 CB PRO A 53 -16.616 -7.932 1.554 1.00 0.00 C ATOM 812 CG PRO A 53 -17.603 -9.058 1.562 1.00 0.00 C ATOM 813 CD PRO A 53 -18.208 -9.075 0.171 1.00 0.00 C ATOM 0 HA PRO A 53 -15.662 -6.995 -0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -15.845 -8.073 2.311 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.099 -6.977 1.764 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.115 -10.006 1.790 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -18.369 -8.903 2.322 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -18.450 -10.089 -0.146 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -19.133 -8.499 0.131 1.00 0.00 H new ATOM 821 N PHE A 54 -13.599 -8.254 0.426 1.00 0.00 N ATOM 822 CA PHE A 54 -12.296 -8.949 0.493 1.00 0.00 C ATOM 823 C PHE A 54 -11.411 -8.256 1.546 1.00 0.00 C ATOM 824 O PHE A 54 -11.542 -7.048 1.754 1.00 0.00 O ATOM 825 CB PHE A 54 -11.590 -8.948 -0.899 1.00 0.00 C ATOM 826 CG PHE A 54 -11.051 -7.586 -1.359 1.00 0.00 C ATOM 827 CD1 PHE A 54 -11.918 -6.548 -1.698 1.00 0.00 C ATOM 828 CD2 PHE A 54 -9.677 -7.348 -1.439 1.00 0.00 C ATOM 829 CE1 PHE A 54 -11.428 -5.322 -2.094 1.00 0.00 C ATOM 830 CE2 PHE A 54 -9.192 -6.123 -1.840 1.00 0.00 C ATOM 831 CZ PHE A 54 -10.068 -5.111 -2.166 1.00 0.00 C ATOM 0 H PHE A 54 -13.547 -7.272 0.696 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.460 -9.988 0.779 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.762 -9.657 -0.869 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.295 -9.313 -1.646 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.985 -6.706 -1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.985 -8.136 -1.183 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.111 -4.525 -2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.127 -5.956 -1.899 1.00 0.00 H new ATOM 0 HZ PHE A 54 -9.688 -4.150 -2.479 1.00 0.00 H new ATOM 841 N SER A 55 -10.528 -9.016 2.213 1.00 0.00 N ATOM 842 CA SER A 55 -9.573 -8.469 3.197 1.00 0.00 C ATOM 843 C SER A 55 -8.223 -9.201 3.094 1.00 0.00 C ATOM 844 O SER A 55 -8.136 -10.404 3.370 1.00 0.00 O ATOM 845 CB SER A 55 -10.157 -8.590 4.629 1.00 0.00 C ATOM 846 OG SER A 55 -11.392 -7.898 4.749 1.00 0.00 O ATOM 0 H SER A 55 -10.454 -10.026 2.088 1.00 0.00 H new ATOM 0 HA SER A 55 -9.406 -7.414 2.980 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.303 -9.642 4.876 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.443 -8.190 5.349 1.00 0.00 H new ATOM 0 HG SER A 55 -11.734 -7.995 5.662 1.00 0.00 H new ATOM 852 N ASP A 56 -7.180 -8.465 2.668 1.00 0.00 N ATOM 853 CA ASP A 56 -5.796 -8.979 2.529 1.00 0.00 C ATOM 854 C ASP A 56 -4.838 -8.057 3.289 1.00 0.00 C ATOM 855 O ASP A 56 -5.033 -6.854 3.291 1.00 0.00 O ATOM 856 CB ASP A 56 -5.379 -9.035 1.030 1.00 0.00 C ATOM 857 CG ASP A 56 -6.270 -9.961 0.188 1.00 0.00 C ATOM 858 OD1 ASP A 56 -5.983 -11.173 0.113 1.00 0.00 O ATOM 859 OD2 ASP A 56 -7.272 -9.489 -0.389 1.00 0.00 O ATOM 0 H ASP A 56 -7.271 -7.483 2.406 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.752 -9.987 2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.414 -8.029 0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.345 -9.373 0.960 1.00 0.00 H new ATOM 864 N SER A 57 -3.805 -8.617 3.928 1.00 0.00 N ATOM 865 CA SER A 57 -2.787 -7.823 4.647 1.00 0.00 C ATOM 866 C SER A 57 -1.403 -8.468 4.484 1.00 0.00 C ATOM 867 O SER A 57 -1.249 -9.690 4.615 1.00 0.00 O ATOM 868 CB SER A 57 -3.149 -7.681 6.141 1.00 0.00 C ATOM 869 OG SER A 57 -2.244 -6.820 6.821 1.00 0.00 O ATOM 0 H SER A 57 -3.646 -9.624 3.965 1.00 0.00 H new ATOM 0 HA SER A 57 -2.761 -6.823 4.214 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.163 -7.291 6.235 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.141 -8.664 6.613 1.00 0.00 H new ATOM 0 HG SER A 57 -1.916 -6.135 6.201 1.00 0.00 H new ATOM 875 N PHE A 58 -0.408 -7.631 4.184 1.00 0.00 N ATOM 876 CA PHE A 58 0.983 -8.055 3.974 1.00 0.00 C ATOM 877 C PHE A 58 1.937 -6.955 4.455 1.00 0.00 C ATOM 878 O PHE A 58 1.598 -5.777 4.410 1.00 0.00 O ATOM 879 CB PHE A 58 1.232 -8.401 2.479 1.00 0.00 C ATOM 880 CG PHE A 58 1.015 -7.250 1.477 1.00 0.00 C ATOM 881 CD1 PHE A 58 -0.263 -6.938 1.004 1.00 0.00 C ATOM 882 CD2 PHE A 58 2.092 -6.494 0.999 1.00 0.00 C ATOM 883 CE1 PHE A 58 -0.455 -5.915 0.091 1.00 0.00 C ATOM 884 CE2 PHE A 58 1.898 -5.476 0.084 1.00 0.00 C ATOM 885 CZ PHE A 58 0.626 -5.184 -0.369 1.00 0.00 C ATOM 0 H PHE A 58 -0.545 -6.626 4.078 1.00 0.00 H new ATOM 0 HA PHE A 58 1.172 -8.957 4.556 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.256 -8.760 2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.576 -9.226 2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.113 -7.503 1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.090 -6.709 1.351 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.450 -5.687 -0.263 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.742 -4.908 -0.277 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.476 -4.386 -1.081 1.00 0.00 H new ATOM 895 N GLU A 59 3.121 -7.351 4.939 1.00 0.00 N ATOM 896 CA GLU A 59 4.140 -6.413 5.443 1.00 0.00 C ATOM 897 C GLU A 59 5.416 -6.547 4.604 1.00 0.00 C ATOM 898 O GLU A 59 5.824 -7.664 4.257 1.00 0.00 O ATOM 899 CB GLU A 59 4.468 -6.670 6.948 1.00 0.00 C ATOM 900 CG GLU A 59 3.349 -6.312 7.957 1.00 0.00 C ATOM 901 CD GLU A 59 2.148 -7.276 7.961 1.00 0.00 C ATOM 902 OE1 GLU A 59 2.302 -8.418 8.437 1.00 0.00 O ATOM 903 OE2 GLU A 59 1.041 -6.891 7.521 1.00 0.00 O ATOM 0 H GLU A 59 3.402 -8.330 4.994 1.00 0.00 H new ATOM 0 HA GLU A 59 3.741 -5.402 5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.717 -7.724 7.070 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.360 -6.100 7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.778 -6.285 8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.989 -5.307 7.737 1.00 0.00 H new ATOM 910 N LEU A 60 6.039 -5.404 4.285 1.00 0.00 N ATOM 911 CA LEU A 60 7.342 -5.346 3.601 1.00 0.00 C ATOM 912 C LEU A 60 8.277 -4.418 4.400 1.00 0.00 C ATOM 913 O LEU A 60 7.841 -3.334 4.818 1.00 0.00 O ATOM 914 CB LEU A 60 7.181 -4.822 2.144 1.00 0.00 C ATOM 915 CG LEU A 60 6.312 -5.696 1.179 1.00 0.00 C ATOM 916 CD1 LEU A 60 5.986 -4.944 -0.132 1.00 0.00 C ATOM 917 CD2 LEU A 60 7.005 -7.044 0.882 1.00 0.00 C ATOM 0 H LEU A 60 5.651 -4.485 4.496 1.00 0.00 H new ATOM 0 HA LEU A 60 7.767 -6.348 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.744 -3.824 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.174 -4.717 1.708 1.00 0.00 H new ATOM 0 HG LEU A 60 5.368 -5.901 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.382 -5.582 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.433 -4.033 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.913 -4.686 -0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.382 -7.633 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.972 -6.861 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.151 -7.591 1.813 1.00 0.00 H new ATOM 929 N PRO A 61 9.567 -4.827 4.647 1.00 0.00 N ATOM 930 CA PRO A 61 10.586 -3.937 5.257 1.00 0.00 C ATOM 931 C PRO A 61 10.895 -2.729 4.347 1.00 0.00 C ATOM 932 O PRO A 61 10.589 -2.771 3.160 1.00 0.00 O ATOM 933 CB PRO A 61 11.812 -4.867 5.434 1.00 0.00 C ATOM 934 CG PRO A 61 11.621 -5.953 4.423 1.00 0.00 C ATOM 935 CD PRO A 61 10.128 -6.181 4.370 1.00 0.00 C ATOM 0 HA PRO A 61 10.262 -3.493 6.198 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.744 -4.328 5.264 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.858 -5.272 6.445 1.00 0.00 H new ATOM 0 HG2 PRO A 61 12.010 -5.658 3.448 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.149 -6.861 4.715 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.812 -6.556 3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.805 -6.910 5.113 1.00 0.00 H new ATOM 943 N ARG A 62 11.481 -1.658 4.927 1.00 0.00 N ATOM 944 CA ARG A 62 11.760 -0.379 4.214 1.00 0.00 C ATOM 945 C ARG A 62 12.442 -0.560 2.822 1.00 0.00 C ATOM 946 O ARG A 62 12.118 0.156 1.868 1.00 0.00 O ATOM 947 CB ARG A 62 12.583 0.601 5.116 1.00 0.00 C ATOM 948 CG ARG A 62 14.125 0.419 5.168 1.00 0.00 C ATOM 949 CD ARG A 62 14.596 -0.878 5.847 1.00 0.00 C ATOM 950 NE ARG A 62 16.065 -0.999 5.784 1.00 0.00 N ATOM 951 CZ ARG A 62 16.790 -2.039 6.223 1.00 0.00 C ATOM 952 NH1 ARG A 62 16.222 -3.090 6.794 1.00 0.00 N ATOM 953 NH2 ARG A 62 18.102 -2.006 6.099 1.00 0.00 N ATOM 0 H ARG A 62 11.776 -1.650 5.903 1.00 0.00 H new ATOM 0 HA ARG A 62 10.783 0.059 4.009 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.377 1.617 4.780 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.202 0.519 6.134 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.515 0.443 4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.560 1.268 5.695 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.270 -0.888 6.887 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.135 -1.737 5.360 1.00 0.00 H new ATOM 0 HE ARG A 62 16.576 -0.220 5.368 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.209 -3.123 6.909 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.797 -3.867 7.119 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.554 -1.197 5.674 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.665 -2.790 6.429 1.00 0.00 H new ATOM 967 N ASP A 63 13.333 -1.560 2.720 1.00 0.00 N ATOM 968 CA ASP A 63 14.150 -1.823 1.513 1.00 0.00 C ATOM 969 C ASP A 63 13.306 -2.393 0.346 1.00 0.00 C ATOM 970 O ASP A 63 13.667 -2.237 -0.824 1.00 0.00 O ATOM 971 CB ASP A 63 15.289 -2.801 1.898 1.00 0.00 C ATOM 972 CG ASP A 63 16.265 -3.136 0.750 1.00 0.00 C ATOM 973 OD1 ASP A 63 17.176 -2.324 0.478 1.00 0.00 O ATOM 974 OD2 ASP A 63 16.141 -4.216 0.130 1.00 0.00 O ATOM 0 H ASP A 63 13.512 -2.218 3.478 1.00 0.00 H new ATOM 0 HA ASP A 63 14.565 -0.880 1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.855 -2.371 2.724 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.846 -3.728 2.263 1.00 0.00 H new ATOM 979 N THR A 64 12.165 -3.018 0.675 1.00 0.00 N ATOM 980 CA THR A 64 11.284 -3.699 -0.301 1.00 0.00 C ATOM 981 C THR A 64 9.839 -3.157 -0.207 1.00 0.00 C ATOM 982 O THR A 64 8.937 -3.680 -0.866 1.00 0.00 O ATOM 983 CB THR A 64 11.282 -5.245 -0.067 1.00 0.00 C ATOM 984 OG1 THR A 64 10.855 -5.524 1.274 1.00 0.00 O ATOM 985 CG2 THR A 64 12.670 -5.875 -0.307 1.00 0.00 C ATOM 0 H THR A 64 11.820 -3.068 1.634 1.00 0.00 H new ATOM 0 HA THR A 64 11.675 -3.495 -1.298 1.00 0.00 H new ATOM 0 HB THR A 64 10.592 -5.686 -0.787 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.852 -6.493 1.421 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.617 -6.950 -0.132 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.981 -5.690 -1.335 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.394 -5.431 0.376 1.00 0.00 H new ATOM 993 N ALA A 65 9.652 -2.089 0.602 1.00 0.00 N ATOM 994 CA ALA A 65 8.334 -1.480 0.876 1.00 0.00 C ATOM 995 C ALA A 65 7.633 -1.006 -0.407 1.00 0.00 C ATOM 996 O ALA A 65 6.433 -1.197 -0.572 1.00 0.00 O ATOM 997 CB ALA A 65 8.484 -0.313 1.865 1.00 0.00 C ATOM 0 H ALA A 65 10.420 -1.623 1.086 1.00 0.00 H new ATOM 0 HA ALA A 65 7.706 -2.252 1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.506 0.128 2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.908 -0.680 2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.144 0.442 1.439 1.00 0.00 H new ATOM 1003 N PHE A 66 8.427 -0.426 -1.318 1.00 0.00 N ATOM 1004 CA PHE A 66 7.938 0.183 -2.581 1.00 0.00 C ATOM 1005 C PHE A 66 7.444 -0.862 -3.610 1.00 0.00 C ATOM 1006 O PHE A 66 6.872 -0.495 -4.641 1.00 0.00 O ATOM 1007 CB PHE A 66 9.050 1.060 -3.206 1.00 0.00 C ATOM 1008 CG PHE A 66 9.764 1.954 -2.192 1.00 0.00 C ATOM 1009 CD1 PHE A 66 9.092 3.003 -1.565 1.00 0.00 C ATOM 1010 CD2 PHE A 66 11.099 1.726 -1.854 1.00 0.00 C ATOM 1011 CE1 PHE A 66 9.736 3.795 -0.640 1.00 0.00 C ATOM 1012 CE2 PHE A 66 11.739 2.517 -0.927 1.00 0.00 C ATOM 1013 CZ PHE A 66 11.060 3.551 -0.321 1.00 0.00 C ATOM 0 H PHE A 66 9.439 -0.361 -1.205 1.00 0.00 H new ATOM 0 HA PHE A 66 7.075 0.797 -2.323 1.00 0.00 H new ATOM 0 HB2 PHE A 66 9.783 0.414 -3.688 1.00 0.00 H new ATOM 0 HB3 PHE A 66 8.614 1.685 -3.986 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.057 3.196 -1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 66 11.637 0.918 -2.326 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.207 4.607 -0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 66 12.772 2.327 -0.675 1.00 0.00 H new ATOM 0 HZ PHE A 66 11.562 4.173 0.405 1.00 0.00 H new ATOM 1023 N ASN A 67 7.639 -2.161 -3.304 1.00 0.00 N ATOM 1024 CA ASN A 67 7.141 -3.281 -4.140 1.00 0.00 C ATOM 1025 C ASN A 67 5.634 -3.523 -3.906 1.00 0.00 C ATOM 1026 O ASN A 67 5.006 -4.310 -4.622 1.00 0.00 O ATOM 1027 CB ASN A 67 7.938 -4.574 -3.828 1.00 0.00 C ATOM 1028 CG ASN A 67 9.439 -4.462 -4.133 1.00 0.00 C ATOM 1029 OD1 ASN A 67 9.859 -3.737 -5.036 1.00 0.00 O ATOM 1030 ND2 ASN A 67 10.255 -5.183 -3.380 1.00 0.00 N ATOM 0 H ASN A 67 8.145 -2.466 -2.473 1.00 0.00 H new ATOM 0 HA ASN A 67 7.285 -3.012 -5.186 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.808 -4.826 -2.775 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.519 -5.397 -4.407 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.262 -5.147 -3.540 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.877 -5.774 -2.640 1.00 0.00 H new ATOM 1037 N PHE A 68 5.067 -2.801 -2.923 1.00 0.00 N ATOM 1038 CA PHE A 68 3.677 -2.962 -2.464 1.00 0.00 C ATOM 1039 C PHE A 68 2.643 -2.614 -3.544 1.00 0.00 C ATOM 1040 O PHE A 68 1.526 -3.064 -3.460 1.00 0.00 O ATOM 1041 CB PHE A 68 3.406 -2.034 -1.252 1.00 0.00 C ATOM 1042 CG PHE A 68 3.194 -0.554 -1.632 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.229 0.194 -2.194 1.00 0.00 C ATOM 1044 CD2 PHE A 68 1.946 0.057 -1.486 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.033 1.489 -2.598 1.00 0.00 C ATOM 1046 CE2 PHE A 68 1.755 1.363 -1.882 1.00 0.00 C ATOM 1047 CZ PHE A 68 2.799 2.074 -2.443 1.00 0.00 C ATOM 0 H PHE A 68 5.573 -2.075 -2.416 1.00 0.00 H new ATOM 0 HA PHE A 68 3.569 -4.014 -2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.523 -2.393 -0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.244 -2.104 -0.559 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.203 -0.256 -2.313 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.124 -0.499 -1.059 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.846 2.048 -3.037 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.790 1.831 -1.754 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.644 3.094 -2.761 1.00 0.00 H new ATOM 1057 N ALA A 69 3.020 -1.774 -4.529 1.00 0.00 N ATOM 1058 CA ALA A 69 2.034 -1.084 -5.379 1.00 0.00 C ATOM 1059 C ALA A 69 1.472 -2.060 -6.412 1.00 0.00 C ATOM 1060 O ALA A 69 0.257 -2.205 -6.560 1.00 0.00 O ATOM 1061 CB ALA A 69 2.667 0.142 -6.043 1.00 0.00 C ATOM 0 H ALA A 69 3.992 -1.560 -4.753 1.00 0.00 H new ATOM 0 HA ALA A 69 1.207 -0.730 -4.763 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.926 0.641 -6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.017 0.831 -5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.509 -0.172 -6.660 1.00 0.00 H new ATOM 1067 N SER A 70 2.401 -2.757 -7.075 1.00 0.00 N ATOM 1068 CA SER A 70 2.091 -3.772 -8.083 1.00 0.00 C ATOM 1069 C SER A 70 1.524 -5.042 -7.408 1.00 0.00 C ATOM 1070 O SER A 70 0.700 -5.740 -7.994 1.00 0.00 O ATOM 1071 CB SER A 70 3.367 -4.094 -8.892 1.00 0.00 C ATOM 1072 OG SER A 70 3.978 -2.905 -9.380 1.00 0.00 O ATOM 0 H SER A 70 3.402 -2.629 -6.923 1.00 0.00 H new ATOM 0 HA SER A 70 1.331 -3.391 -8.765 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.072 -4.637 -8.263 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.116 -4.747 -9.728 1.00 0.00 H new ATOM 0 HG SER A 70 4.784 -3.136 -9.887 1.00 0.00 H new ATOM 1078 N ASP A 71 1.983 -5.301 -6.164 1.00 0.00 N ATOM 1079 CA ASP A 71 1.561 -6.462 -5.346 1.00 0.00 C ATOM 1080 C ASP A 71 0.094 -6.301 -4.879 1.00 0.00 C ATOM 1081 O ASP A 71 -0.727 -7.196 -5.077 1.00 0.00 O ATOM 1082 CB ASP A 71 2.515 -6.594 -4.124 1.00 0.00 C ATOM 1083 CG ASP A 71 2.327 -7.896 -3.317 1.00 0.00 C ATOM 1084 OD1 ASP A 71 1.449 -7.950 -2.429 1.00 0.00 O ATOM 1085 OD2 ASP A 71 3.078 -8.866 -3.562 1.00 0.00 O ATOM 0 H ASP A 71 2.664 -4.705 -5.694 1.00 0.00 H new ATOM 0 HA ASP A 71 1.617 -7.368 -5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.546 -6.542 -4.474 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.360 -5.743 -3.461 1.00 0.00 H new ATOM 1090 N ALA A 72 -0.183 -5.154 -4.227 1.00 0.00 N ATOM 1091 CA ALA A 72 -1.530 -4.757 -3.758 1.00 0.00 C ATOM 1092 C ALA A 72 -2.553 -4.742 -4.901 1.00 0.00 C ATOM 1093 O ALA A 72 -3.696 -5.172 -4.722 1.00 0.00 O ATOM 1094 CB ALA A 72 -1.487 -3.384 -3.058 1.00 0.00 C ATOM 0 H ALA A 72 0.535 -4.464 -4.007 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.852 -5.508 -3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.489 -3.115 -2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.818 -3.434 -2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.124 -2.631 -3.757 1.00 0.00 H new ATOM 1100 N THR A 73 -2.142 -4.241 -6.074 1.00 0.00 N ATOM 1101 CA THR A 73 -2.979 -4.259 -7.280 1.00 0.00 C ATOM 1102 C THR A 73 -3.260 -5.714 -7.717 1.00 0.00 C ATOM 1103 O THR A 73 -4.418 -6.083 -7.938 1.00 0.00 O ATOM 1104 CB THR A 73 -2.292 -3.448 -8.432 1.00 0.00 C ATOM 1105 OG1 THR A 73 -2.154 -2.075 -8.024 1.00 0.00 O ATOM 1106 CG2 THR A 73 -3.065 -3.509 -9.759 1.00 0.00 C ATOM 0 H THR A 73 -1.226 -3.815 -6.213 1.00 0.00 H new ATOM 0 HA THR A 73 -3.933 -3.783 -7.053 1.00 0.00 H new ATOM 0 HB THR A 73 -1.319 -3.905 -8.611 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.338 -1.972 -7.492 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.537 -2.928 -10.515 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.143 -4.545 -10.087 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.064 -3.097 -9.617 1.00 0.00 H new ATOM 1114 N ARG A 74 -2.180 -6.515 -7.816 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.234 -7.942 -8.216 1.00 0.00 C ATOM 1116 C ARG A 74 -3.199 -8.757 -7.328 1.00 0.00 C ATOM 1117 O ARG A 74 -4.007 -9.539 -7.837 1.00 0.00 O ATOM 1118 CB ARG A 74 -0.809 -8.566 -8.178 1.00 0.00 C ATOM 1119 CG ARG A 74 -0.688 -9.974 -8.812 1.00 0.00 C ATOM 1120 CD ARG A 74 0.729 -10.573 -8.679 1.00 0.00 C ATOM 1121 NE ARG A 74 1.050 -10.945 -7.281 1.00 0.00 N ATOM 1122 CZ ARG A 74 2.084 -10.487 -6.550 1.00 0.00 C ATOM 1123 NH1 ARG A 74 2.884 -9.540 -7.008 1.00 0.00 N ATOM 1124 NH2 ARG A 74 2.287 -10.971 -5.338 1.00 0.00 N ATOM 0 H ARG A 74 -1.234 -6.189 -7.619 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.618 -7.981 -9.235 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.122 -7.894 -8.691 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.483 -8.623 -7.140 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.406 -10.643 -8.338 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.955 -9.916 -9.867 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.810 -11.454 -9.316 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.462 -9.851 -9.039 1.00 0.00 H new ATOM 0 HE ARG A 74 0.427 -11.613 -6.828 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.724 -9.141 -7.933 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.661 -9.208 -6.437 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.663 -11.686 -4.963 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.068 -10.630 -4.777 1.00 0.00 H new ATOM 1138 N VAL A 75 -3.115 -8.555 -6.004 1.00 0.00 N ATOM 1139 CA VAL A 75 -3.923 -9.315 -5.033 1.00 0.00 C ATOM 1140 C VAL A 75 -5.391 -8.852 -5.067 1.00 0.00 C ATOM 1141 O VAL A 75 -6.297 -9.669 -4.875 1.00 0.00 O ATOM 1142 CB VAL A 75 -3.330 -9.265 -3.568 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -3.392 -7.861 -2.942 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -3.992 -10.316 -2.645 1.00 0.00 C ATOM 0 H VAL A 75 -2.493 -7.868 -5.578 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.886 -10.361 -5.336 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.274 -9.518 -3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.971 -7.892 -1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.820 -7.164 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.430 -7.531 -2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.557 -10.250 -1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.064 -10.126 -2.587 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.822 -11.314 -3.049 1.00 0.00 H new ATOM 1154 N ALA A 76 -5.617 -7.553 -5.359 1.00 0.00 N ATOM 1155 CA ALA A 76 -6.965 -6.958 -5.383 1.00 0.00 C ATOM 1156 C ALA A 76 -7.750 -7.478 -6.597 1.00 0.00 C ATOM 1157 O ALA A 76 -8.888 -7.924 -6.472 1.00 0.00 O ATOM 1158 CB ALA A 76 -6.872 -5.422 -5.427 1.00 0.00 C ATOM 0 H ALA A 76 -4.873 -6.893 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.491 -7.248 -4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.876 -4.997 -5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.342 -5.064 -4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.333 -5.116 -6.323 1.00 0.00 H new ATOM 1164 N GLN A 77 -7.088 -7.447 -7.771 1.00 0.00 N ATOM 1165 CA GLN A 77 -7.695 -7.821 -9.067 1.00 0.00 C ATOM 1166 C GLN A 77 -8.077 -9.314 -9.135 1.00 0.00 C ATOM 1167 O GLN A 77 -8.963 -9.696 -9.904 1.00 0.00 O ATOM 1168 CB GLN A 77 -6.810 -7.374 -10.262 1.00 0.00 C ATOM 1169 CG GLN A 77 -5.401 -7.975 -10.318 1.00 0.00 C ATOM 1170 CD GLN A 77 -4.483 -7.277 -11.331 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -4.628 -6.085 -11.621 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -3.511 -8.001 -11.858 1.00 0.00 N ATOM 0 H GLN A 77 -6.112 -7.161 -7.848 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.634 -7.274 -9.147 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.328 -7.627 -11.187 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.719 -6.288 -10.235 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.949 -7.916 -9.328 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.474 -9.032 -10.573 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.411 -8.984 -11.603 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.861 -7.577 -12.520 1.00 0.00 H new ATOM 1181 N LYS A 78 -7.430 -10.132 -8.286 1.00 0.00 N ATOM 1182 CA LYS A 78 -7.732 -11.575 -8.143 1.00 0.00 C ATOM 1183 C LYS A 78 -9.158 -11.815 -7.589 1.00 0.00 C ATOM 1184 O LYS A 78 -9.696 -12.909 -7.728 1.00 0.00 O ATOM 1185 CB LYS A 78 -6.674 -12.267 -7.215 1.00 0.00 C ATOM 1186 CG LYS A 78 -5.666 -13.169 -7.949 1.00 0.00 C ATOM 1187 CD LYS A 78 -4.769 -12.397 -8.937 1.00 0.00 C ATOM 1188 CE LYS A 78 -3.798 -13.318 -9.671 1.00 0.00 C ATOM 1189 NZ LYS A 78 -2.947 -14.093 -8.741 1.00 0.00 N ATOM 0 H LYS A 78 -6.678 -9.813 -7.675 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.683 -12.016 -9.139 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.125 -11.496 -6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.200 -12.864 -6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.037 -13.673 -7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.209 -13.944 -8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.394 -11.877 -9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.207 -11.635 -8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.360 -14.005 -10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.165 -12.724 -10.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.185 -14.559 -9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.533 -13.453 -8.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.524 -14.813 -8.261 1.00 0.00 H new ATOM 1203 N HIS A 79 -9.752 -10.789 -6.957 1.00 0.00 N ATOM 1204 CA HIS A 79 -11.082 -10.888 -6.316 1.00 0.00 C ATOM 1205 C HIS A 79 -12.225 -10.528 -7.282 1.00 0.00 C ATOM 1206 O HIS A 79 -13.314 -10.154 -6.841 1.00 0.00 O ATOM 1207 CB HIS A 79 -11.109 -10.030 -5.024 1.00 0.00 C ATOM 1208 CG HIS A 79 -10.167 -10.545 -3.974 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -10.404 -11.701 -3.265 1.00 0.00 N ATOM 1210 CD2 HIS A 79 -8.968 -10.092 -3.549 1.00 0.00 C ATOM 1211 CE1 HIS A 79 -9.396 -11.936 -2.458 1.00 0.00 C ATOM 1212 NE2 HIS A 79 -8.510 -10.975 -2.607 1.00 0.00 N ATOM 0 H HIS A 79 -9.327 -9.866 -6.874 1.00 0.00 H new ATOM 0 HA HIS A 79 -11.251 -11.928 -6.038 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -10.847 -9.001 -5.269 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -12.122 -10.014 -4.623 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.464 -9.199 -3.889 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -9.309 -12.776 -1.785 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.626 -10.900 -2.103 1.00 0.00 H new ATOM 1221 N GLY A 80 -11.986 -10.693 -8.600 1.00 0.00 N ATOM 1222 CA GLY A 80 -13.041 -10.580 -9.611 1.00 0.00 C ATOM 1223 C GLY A 80 -13.083 -9.226 -10.292 1.00 0.00 C ATOM 1224 O GLY A 80 -14.149 -8.610 -10.385 1.00 0.00 O ATOM 0 H GLY A 80 -11.065 -10.906 -8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.895 -11.353 -10.365 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.006 -10.772 -9.141 1.00 0.00 H new ATOM 1228 N LEU A 81 -11.915 -8.766 -10.769 1.00 0.00 N ATOM 1229 CA LEU A 81 -11.807 -7.539 -11.578 1.00 0.00 C ATOM 1230 C LEU A 81 -12.244 -7.831 -13.024 1.00 0.00 C ATOM 1231 O LEU A 81 -12.146 -8.968 -13.500 1.00 0.00 O ATOM 1232 CB LEU A 81 -10.344 -6.966 -11.538 1.00 0.00 C ATOM 1233 CG LEU A 81 -10.143 -5.579 -10.839 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -10.831 -4.448 -11.620 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -10.616 -5.614 -9.368 1.00 0.00 C ATOM 0 H LEU A 81 -11.022 -9.231 -10.606 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.468 -6.781 -11.157 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.708 -7.694 -11.034 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.984 -6.884 -12.564 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.073 -5.370 -10.836 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.670 -3.501 -11.106 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.411 -4.391 -12.624 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.900 -4.649 -11.685 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.462 -4.636 -8.913 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.675 -5.868 -9.332 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.044 -6.363 -8.820 1.00 0.00 H new ATOM 1466 N TYR A 95 2.419 6.846 -9.159 1.00 0.00 N ATOM 1467 CA TYR A 95 3.296 5.877 -8.501 1.00 0.00 C ATOM 1468 C TYR A 95 4.376 6.636 -7.724 1.00 0.00 C ATOM 1469 O TYR A 95 4.682 6.294 -6.590 1.00 0.00 O ATOM 1470 CB TYR A 95 3.946 4.948 -9.568 1.00 0.00 C ATOM 1471 CG TYR A 95 4.649 3.691 -9.005 1.00 0.00 C ATOM 1472 CD1 TYR A 95 5.902 3.762 -8.374 1.00 0.00 C ATOM 1473 CD2 TYR A 95 4.054 2.432 -9.106 1.00 0.00 C ATOM 1474 CE1 TYR A 95 6.516 2.633 -7.871 1.00 0.00 C ATOM 1475 CE2 TYR A 95 4.674 1.304 -8.609 1.00 0.00 C ATOM 1476 CZ TYR A 95 5.898 1.410 -7.991 1.00 0.00 C ATOM 1477 OH TYR A 95 6.504 0.286 -7.475 1.00 0.00 O ATOM 0 HA TYR A 95 2.721 5.260 -7.811 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.174 4.630 -10.269 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.673 5.528 -10.137 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.394 4.719 -8.281 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.089 2.339 -9.583 1.00 0.00 H new ATOM 0 HE1 TYR A 95 7.478 2.709 -7.385 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.199 0.339 -8.705 1.00 0.00 H new ATOM 0 HH TYR A 95 6.482 0.323 -6.496 1.00 0.00 H new ATOM 1487 N ASP A 96 4.907 7.691 -8.370 1.00 0.00 N ATOM 1488 CA ASP A 96 6.049 8.486 -7.875 1.00 0.00 C ATOM 1489 C ASP A 96 5.675 9.312 -6.640 1.00 0.00 C ATOM 1490 O ASP A 96 6.515 9.520 -5.765 1.00 0.00 O ATOM 1491 CB ASP A 96 6.577 9.424 -8.989 1.00 0.00 C ATOM 1492 CG ASP A 96 7.094 8.656 -10.209 1.00 0.00 C ATOM 1493 OD1 ASP A 96 6.271 8.179 -11.018 1.00 0.00 O ATOM 1494 OD2 ASP A 96 8.322 8.509 -10.355 1.00 0.00 O ATOM 0 H ASP A 96 4.549 8.021 -9.266 1.00 0.00 H new ATOM 0 HA ASP A 96 6.832 7.784 -7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 96 5.779 10.098 -9.300 1.00 0.00 H new ATOM 0 HB3 ASP A 96 7.379 10.043 -8.588 1.00 0.00 H new ATOM 1499 N ALA A 97 4.415 9.785 -6.594 1.00 0.00 N ATOM 1500 CA ALA A 97 3.898 10.603 -5.478 1.00 0.00 C ATOM 1501 C ALA A 97 3.815 9.769 -4.184 1.00 0.00 C ATOM 1502 O ALA A 97 4.251 10.207 -3.114 1.00 0.00 O ATOM 1503 CB ALA A 97 2.526 11.203 -5.844 1.00 0.00 C ATOM 0 H ALA A 97 3.727 9.612 -7.327 1.00 0.00 H new ATOM 0 HA ALA A 97 4.590 11.426 -5.299 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.158 11.803 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.628 11.832 -6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.821 10.398 -6.051 1.00 0.00 H new ATOM 1509 N MET A 98 3.226 8.575 -4.303 1.00 0.00 N ATOM 1510 CA MET A 98 3.169 7.584 -3.208 1.00 0.00 C ATOM 1511 C MET A 98 4.576 7.053 -2.831 1.00 0.00 C ATOM 1512 O MET A 98 4.880 6.863 -1.656 1.00 0.00 O ATOM 1513 CB MET A 98 2.241 6.427 -3.648 1.00 0.00 C ATOM 1514 CG MET A 98 1.738 5.517 -2.515 1.00 0.00 C ATOM 1515 SD MET A 98 0.555 4.276 -3.101 1.00 0.00 S ATOM 1516 CE MET A 98 -0.626 5.277 -4.002 1.00 0.00 C ATOM 0 H MET A 98 2.772 8.262 -5.161 1.00 0.00 H new ATOM 0 HA MET A 98 2.773 8.064 -2.313 1.00 0.00 H new ATOM 0 HB2 MET A 98 1.378 6.851 -4.161 1.00 0.00 H new ATOM 0 HB3 MET A 98 2.773 5.813 -4.375 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.587 5.015 -2.051 1.00 0.00 H new ATOM 0 HG3 MET A 98 1.268 6.127 -1.744 1.00 0.00 H new ATOM 0 HE1 MET A 98 -1.366 4.631 -4.473 1.00 0.00 H new ATOM 0 HE2 MET A 98 -1.125 5.959 -3.314 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.106 5.852 -4.769 1.00 0.00 H new ATOM 1526 N PHE A 99 5.387 6.797 -3.870 1.00 0.00 N ATOM 1527 CA PHE A 99 6.799 6.361 -3.743 1.00 0.00 C ATOM 1528 C PHE A 99 7.595 7.328 -2.842 1.00 0.00 C ATOM 1529 O PHE A 99 8.282 6.894 -1.912 1.00 0.00 O ATOM 1530 CB PHE A 99 7.469 6.252 -5.142 1.00 0.00 C ATOM 1531 CG PHE A 99 8.919 5.751 -5.132 1.00 0.00 C ATOM 1532 CD1 PHE A 99 9.202 4.393 -5.019 1.00 0.00 C ATOM 1533 CD2 PHE A 99 9.998 6.637 -5.229 1.00 0.00 C ATOM 1534 CE1 PHE A 99 10.511 3.935 -5.006 1.00 0.00 C ATOM 1535 CE2 PHE A 99 11.304 6.175 -5.213 1.00 0.00 C ATOM 1536 CZ PHE A 99 11.557 4.825 -5.099 1.00 0.00 C ATOM 0 H PHE A 99 5.082 6.887 -4.839 1.00 0.00 H new ATOM 0 HA PHE A 99 6.805 5.375 -3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.874 5.581 -5.762 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.443 7.232 -5.617 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.390 3.685 -4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.810 7.697 -5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.710 2.877 -4.923 1.00 0.00 H new ATOM 0 HE2 PHE A 99 12.124 6.873 -5.290 1.00 0.00 H new ATOM 0 HZ PHE A 99 12.575 4.466 -5.083 1.00 0.00 H new ATOM 1546 N GLU A 100 7.456 8.644 -3.115 1.00 0.00 N ATOM 1547 CA GLU A 100 8.188 9.689 -2.380 1.00 0.00 C ATOM 1548 C GLU A 100 7.580 9.922 -0.991 1.00 0.00 C ATOM 1549 O GLU A 100 8.284 10.358 -0.078 1.00 0.00 O ATOM 1550 CB GLU A 100 8.309 11.012 -3.178 1.00 0.00 C ATOM 1551 CG GLU A 100 6.995 11.741 -3.488 1.00 0.00 C ATOM 1552 CD GLU A 100 7.207 13.035 -4.288 1.00 0.00 C ATOM 1553 OE1 GLU A 100 7.262 12.977 -5.535 1.00 0.00 O ATOM 1554 OE2 GLU A 100 7.347 14.116 -3.676 1.00 0.00 O ATOM 0 H GLU A 100 6.840 9.005 -3.843 1.00 0.00 H new ATOM 0 HA GLU A 100 9.205 9.320 -2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 100 8.953 11.691 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.812 10.798 -4.121 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.339 11.075 -4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.486 11.976 -2.553 1.00 0.00 H new ATOM 1561 N ASP A 101 6.270 9.637 -0.849 1.00 0.00 N ATOM 1562 CA ASP A 101 5.569 9.740 0.441 1.00 0.00 C ATOM 1563 C ASP A 101 6.122 8.698 1.432 1.00 0.00 C ATOM 1564 O ASP A 101 6.581 9.049 2.513 1.00 0.00 O ATOM 1565 CB ASP A 101 4.040 9.554 0.259 1.00 0.00 C ATOM 1566 CG ASP A 101 3.243 9.899 1.532 1.00 0.00 C ATOM 1567 OD1 ASP A 101 3.037 9.015 2.396 1.00 0.00 O ATOM 1568 OD2 ASP A 101 2.836 11.068 1.680 1.00 0.00 O ATOM 0 H ASP A 101 5.675 9.332 -1.619 1.00 0.00 H new ATOM 0 HA ASP A 101 5.742 10.738 0.845 1.00 0.00 H new ATOM 0 HB2 ASP A 101 3.697 10.184 -0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.835 8.522 -0.024 1.00 0.00 H new ATOM 1573 N ILE A 102 6.058 7.415 1.032 1.00 0.00 N ATOM 1574 CA ILE A 102 6.566 6.284 1.838 1.00 0.00 C ATOM 1575 C ILE A 102 8.077 6.423 2.121 1.00 0.00 C ATOM 1576 O ILE A 102 8.506 6.199 3.243 1.00 0.00 O ATOM 1577 CB ILE A 102 6.265 4.895 1.153 1.00 0.00 C ATOM 1578 CG1 ILE A 102 4.729 4.736 0.929 1.00 0.00 C ATOM 1579 CG2 ILE A 102 6.831 3.702 1.976 1.00 0.00 C ATOM 1580 CD1 ILE A 102 4.283 3.383 0.407 1.00 0.00 C ATOM 0 H ILE A 102 5.653 7.130 0.140 1.00 0.00 H new ATOM 0 HA ILE A 102 6.035 6.315 2.789 1.00 0.00 H new ATOM 0 HB ILE A 102 6.771 4.881 0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.220 4.928 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.400 5.503 0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.600 2.766 1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.912 3.806 2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.378 3.697 2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.200 3.379 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.756 3.191 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.573 2.606 1.115 1.00 0.00 H new ATOM 1592 N ARG A 103 8.863 6.830 1.099 1.00 0.00 N ATOM 1593 CA ARG A 103 10.329 7.009 1.252 1.00 0.00 C ATOM 1594 C ARG A 103 10.624 8.163 2.237 1.00 0.00 C ATOM 1595 O ARG A 103 11.658 8.159 2.915 1.00 0.00 O ATOM 1596 CB ARG A 103 11.053 7.145 -0.133 1.00 0.00 C ATOM 1597 CG ARG A 103 11.157 8.545 -0.791 1.00 0.00 C ATOM 1598 CD ARG A 103 12.374 9.362 -0.315 1.00 0.00 C ATOM 1599 NE ARG A 103 12.740 10.433 -1.258 1.00 0.00 N ATOM 1600 CZ ARG A 103 13.991 10.707 -1.672 1.00 0.00 C ATOM 1601 NH1 ARG A 103 15.027 10.021 -1.205 1.00 0.00 N ATOM 1602 NH2 ARG A 103 14.199 11.686 -2.537 1.00 0.00 N ATOM 0 H ARG A 103 8.512 7.040 0.165 1.00 0.00 H new ATOM 0 HA ARG A 103 10.753 6.107 1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.066 6.761 -0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 103 10.543 6.487 -0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.211 8.425 -1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.247 9.106 -0.577 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.155 9.800 0.659 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.225 8.695 -0.181 1.00 0.00 H new ATOM 0 HE ARG A 103 11.986 11.013 -1.626 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.880 9.276 -0.524 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.970 10.239 -1.527 1.00 0.00 H new ATOM 0 HH21 ARG A 103 13.412 12.231 -2.889 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.146 11.895 -2.852 1.00 0.00 H new ATOM 1616 N ALA A 104 9.686 9.139 2.309 1.00 0.00 N ATOM 1617 CA ALA A 104 9.756 10.260 3.263 1.00 0.00 C ATOM 1618 C ALA A 104 9.529 9.756 4.696 1.00 0.00 C ATOM 1619 O ALA A 104 10.298 10.079 5.599 1.00 0.00 O ATOM 1620 CB ALA A 104 8.718 11.342 2.914 1.00 0.00 C ATOM 0 H ALA A 104 8.864 9.166 1.706 1.00 0.00 H new ATOM 0 HA ALA A 104 10.750 10.701 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.789 12.159 3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.912 11.722 1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.717 10.912 2.951 1.00 0.00 H new ATOM 1626 N LYS A 105 8.443 8.977 4.884 1.00 0.00 N ATOM 1627 CA LYS A 105 8.087 8.354 6.178 1.00 0.00 C ATOM 1628 C LYS A 105 9.210 7.438 6.703 1.00 0.00 C ATOM 1629 O LYS A 105 9.503 7.413 7.899 1.00 0.00 O ATOM 1630 CB LYS A 105 6.780 7.523 6.032 1.00 0.00 C ATOM 1631 CG LYS A 105 5.552 8.273 5.457 1.00 0.00 C ATOM 1632 CD LYS A 105 5.166 9.538 6.252 1.00 0.00 C ATOM 1633 CE LYS A 105 4.814 9.247 7.723 1.00 0.00 C ATOM 1634 NZ LYS A 105 4.388 10.479 8.433 1.00 0.00 N ATOM 0 H LYS A 105 7.783 8.761 4.137 1.00 0.00 H new ATOM 0 HA LYS A 105 7.940 9.162 6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.989 6.666 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.513 7.130 7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.760 8.554 4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.700 7.594 5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.993 10.248 6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.314 10.017 5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.016 8.505 7.768 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.679 8.816 8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.158 10.249 9.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.159 11.177 8.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.548 10.876 7.966 1.00 0.00 H new ATOM 1648 N LEU A 106 9.815 6.688 5.771 1.00 0.00 N ATOM 1649 CA LEU A 106 10.935 5.763 6.038 1.00 0.00 C ATOM 1650 C LEU A 106 12.197 6.532 6.463 1.00 0.00 C ATOM 1651 O LEU A 106 12.977 6.051 7.290 1.00 0.00 O ATOM 1652 CB LEU A 106 11.193 4.875 4.780 1.00 0.00 C ATOM 1653 CG LEU A 106 10.359 3.543 4.668 1.00 0.00 C ATOM 1654 CD1 LEU A 106 8.915 3.698 5.175 1.00 0.00 C ATOM 1655 CD2 LEU A 106 10.369 3.009 3.214 1.00 0.00 C ATOM 0 H LEU A 106 9.537 6.705 4.790 1.00 0.00 H new ATOM 0 HA LEU A 106 10.669 5.110 6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.994 5.476 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.252 4.616 4.758 1.00 0.00 H new ATOM 0 HG LEU A 106 10.846 2.816 5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.390 2.748 5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.927 3.995 6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.403 4.461 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.787 2.089 3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.932 3.754 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.395 2.808 2.907 1.00 0.00 H new ATOM 1667 N HIS A 107 12.376 7.729 5.884 1.00 0.00 N ATOM 1668 CA HIS A 107 13.466 8.655 6.250 1.00 0.00 C ATOM 1669 C HIS A 107 13.094 9.458 7.525 1.00 0.00 C ATOM 1670 O HIS A 107 13.965 10.074 8.152 1.00 0.00 O ATOM 1671 CB HIS A 107 13.757 9.603 5.050 1.00 0.00 C ATOM 1672 CG HIS A 107 15.106 10.282 5.092 1.00 0.00 C ATOM 1673 ND1 HIS A 107 16.234 9.750 4.495 1.00 0.00 N ATOM 1674 CD2 HIS A 107 15.508 11.442 5.658 1.00 0.00 C ATOM 1675 CE1 HIS A 107 17.259 10.554 4.696 1.00 0.00 C ATOM 1676 NE2 HIS A 107 16.843 11.586 5.396 1.00 0.00 N ATOM 0 H HIS A 107 11.769 8.086 5.146 1.00 0.00 H new ATOM 0 HA HIS A 107 14.368 8.086 6.475 1.00 0.00 H new ATOM 0 HB2 HIS A 107 13.683 9.030 4.126 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.982 10.368 5.013 1.00 0.00 H new ATOM 0 HD2 HIS A 107 14.889 12.129 6.215 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.268 10.393 4.346 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.423 12.369 5.696 1.00 0.00 H new ATOM 1685 N ALA A 108 11.772 9.475 7.846 1.00 0.00 N ATOM 1686 CA ALA A 108 11.173 10.184 9.008 1.00 0.00 C ATOM 1687 C ALA A 108 11.219 11.718 8.826 1.00 0.00 C ATOM 1688 O ALA A 108 10.964 12.480 9.763 1.00 0.00 O ATOM 1689 CB ALA A 108 11.816 9.726 10.335 1.00 0.00 C ATOM 0 H ALA A 108 11.075 8.982 7.288 1.00 0.00 H new ATOM 0 HA ALA A 108 10.119 9.912 9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.357 10.262 11.166 1.00 0.00 H new ATOM 0 HB2 ALA A 108 11.660 8.655 10.464 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.885 9.937 10.313 1.00 0.00 H new ATOM 1727 N GLY A 111 10.598 13.817 1.987 1.00 0.00 N ATOM 1728 CA GLY A 111 11.334 13.041 0.983 1.00 0.00 C ATOM 1729 C GLY A 111 11.374 13.706 -0.382 1.00 0.00 C ATOM 1730 O GLY A 111 12.018 13.184 -1.290 1.00 0.00 O ATOM 0 HA2 GLY A 111 12.354 12.884 1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 111 10.875 12.057 0.886 1.00 0.00 H new ATOM 1734 N GLU A 112 10.675 14.849 -0.534 1.00 0.00 N ATOM 1735 CA GLU A 112 10.732 15.651 -1.770 1.00 0.00 C ATOM 1736 C GLU A 112 12.177 16.213 -1.949 1.00 0.00 C ATOM 1737 O GLU A 112 12.648 16.996 -1.111 1.00 0.00 O ATOM 1738 CB GLU A 112 9.658 16.783 -1.736 1.00 0.00 C ATOM 1739 CG GLU A 112 9.694 17.684 -0.483 1.00 0.00 C ATOM 1740 CD GLU A 112 8.602 18.761 -0.486 1.00 0.00 C ATOM 1741 OE1 GLU A 112 7.464 18.471 -0.051 1.00 0.00 O ATOM 1742 OE2 GLU A 112 8.874 19.894 -0.938 1.00 0.00 O ATOM 0 H GLU A 112 10.064 15.236 0.185 1.00 0.00 H new ATOM 0 HA GLU A 112 10.502 15.025 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.785 17.410 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.670 16.328 -1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.582 17.064 0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.670 18.165 -0.416 1.00 0.00 H new ATOM 1749 N PRO A 113 12.922 15.788 -3.019 1.00 0.00 N ATOM 1750 CA PRO A 113 14.342 16.128 -3.187 1.00 0.00 C ATOM 1751 C PRO A 113 14.554 17.453 -3.945 1.00 0.00 C ATOM 1752 O PRO A 113 14.046 17.648 -5.060 1.00 0.00 O ATOM 1753 CB PRO A 113 14.884 14.902 -3.962 1.00 0.00 C ATOM 1754 CG PRO A 113 13.723 14.410 -4.792 1.00 0.00 C ATOM 1755 CD PRO A 113 12.446 14.938 -4.140 1.00 0.00 C ATOM 0 HA PRO A 113 14.857 16.304 -2.242 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.729 15.178 -4.593 1.00 0.00 H new ATOM 0 HB3 PRO A 113 15.235 14.128 -3.279 1.00 0.00 H new ATOM 0 HG2 PRO A 113 13.806 14.766 -5.819 1.00 0.00 H new ATOM 0 HG3 PRO A 113 13.713 13.321 -4.832 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.848 15.513 -4.847 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.818 14.123 -3.781 1.00 0.00 H new ATOM 1763 N VAL A 114 15.271 18.381 -3.299 1.00 0.00 N ATOM 1764 CA VAL A 114 15.724 19.625 -3.935 1.00 0.00 C ATOM 1765 C VAL A 114 16.968 19.322 -4.799 1.00 0.00 C ATOM 1766 O VAL A 114 17.705 18.358 -4.526 1.00 0.00 O ATOM 1767 CB VAL A 114 16.033 20.739 -2.859 1.00 0.00 C ATOM 1768 CG1 VAL A 114 17.249 20.359 -1.976 1.00 0.00 C ATOM 1769 CG2 VAL A 114 16.206 22.137 -3.516 1.00 0.00 C ATOM 0 H VAL A 114 15.553 18.291 -2.323 1.00 0.00 H new ATOM 0 HA VAL A 114 14.929 20.013 -4.572 1.00 0.00 H new ATOM 0 HB VAL A 114 15.168 20.802 -2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.431 21.149 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.042 19.425 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 114 18.131 20.235 -2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 114 16.417 22.878 -2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 114 17.033 22.106 -4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 114 15.289 22.409 -4.039 1.00 0.00 H new ATOM 1779 N ASP A 115 17.183 20.130 -5.848 1.00 0.00 N ATOM 1780 CA ASP A 115 18.263 19.904 -6.831 1.00 0.00 C ATOM 1781 C ASP A 115 19.332 21.008 -6.768 1.00 0.00 C ATOM 1782 O ASP A 115 20.151 21.120 -7.686 1.00 0.00 O ATOM 1783 CB ASP A 115 17.666 19.822 -8.266 1.00 0.00 C ATOM 1784 CG ASP A 115 16.563 18.758 -8.419 1.00 0.00 C ATOM 1785 OD1 ASP A 115 16.813 17.586 -8.097 1.00 0.00 O ATOM 1786 OD2 ASP A 115 15.447 19.089 -8.875 1.00 0.00 O ATOM 0 H ASP A 115 16.618 20.957 -6.042 1.00 0.00 H new ATOM 0 HA ASP A 115 18.747 18.960 -6.582 1.00 0.00 H new ATOM 0 HB2 ASP A 115 17.259 20.796 -8.536 1.00 0.00 H new ATOM 0 HB3 ASP A 115 18.468 19.605 -8.972 1.00 0.00 H new ATOM 1791 N LEU A 116 19.361 21.779 -5.656 1.00 0.00 N ATOM 1792 CA LEU A 116 20.254 22.959 -5.520 1.00 0.00 C ATOM 1793 C LEU A 116 21.750 22.571 -5.503 1.00 0.00 C ATOM 1794 O LEU A 116 22.604 23.393 -5.828 1.00 0.00 O ATOM 1795 CB LEU A 116 19.858 23.822 -4.266 1.00 0.00 C ATOM 1796 CG LEU A 116 19.989 23.186 -2.820 1.00 0.00 C ATOM 1797 CD1 LEU A 116 21.439 23.208 -2.264 1.00 0.00 C ATOM 1798 CD2 LEU A 116 19.032 23.882 -1.817 1.00 0.00 C ATOM 0 H LEU A 116 18.777 21.607 -4.838 1.00 0.00 H new ATOM 0 HA LEU A 116 20.111 23.574 -6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 116 20.467 24.726 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 116 18.821 24.133 -4.395 1.00 0.00 H new ATOM 0 HG LEU A 116 19.706 22.139 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.455 22.757 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 116 22.092 22.644 -2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 116 21.789 24.238 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 116 19.142 23.426 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 116 19.278 24.942 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 116 18.003 23.767 -2.157 1.00 0.00 H new ATOM 1810 N GLU A 117 22.042 21.319 -5.108 1.00 0.00 N ATOM 1811 CA GLU A 117 23.420 20.782 -4.997 1.00 0.00 C ATOM 1812 C GLU A 117 23.654 19.641 -6.026 1.00 0.00 C ATOM 1813 O GLU A 117 24.780 19.152 -6.192 1.00 0.00 O ATOM 1814 CB GLU A 117 23.657 20.314 -3.526 1.00 0.00 C ATOM 1815 CG GLU A 117 25.080 19.809 -3.190 1.00 0.00 C ATOM 1816 CD GLU A 117 26.190 20.803 -3.566 1.00 0.00 C ATOM 1817 OE1 GLU A 117 26.192 21.936 -3.036 1.00 0.00 O ATOM 1818 OE2 GLU A 117 27.062 20.466 -4.401 1.00 0.00 O ATOM 0 H GLU A 117 21.324 20.641 -4.853 1.00 0.00 H new ATOM 0 HA GLU A 117 24.146 21.560 -5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 117 23.422 21.145 -2.860 1.00 0.00 H new ATOM 0 HB3 GLU A 117 22.949 19.516 -3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 117 25.139 19.598 -2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 117 25.255 18.868 -3.711 1.00 0.00 H new ATOM 1825 N ARG A 118 22.593 19.286 -6.780 1.00 0.00 N ATOM 1826 CA ARG A 118 22.587 18.107 -7.689 1.00 0.00 C ATOM 1827 C ARG A 118 23.454 18.323 -8.954 1.00 0.00 C ATOM 1828 O ARG A 118 23.679 17.396 -9.742 1.00 0.00 O ATOM 1829 CB ARG A 118 21.124 17.765 -8.073 1.00 0.00 C ATOM 1830 CG ARG A 118 20.918 16.393 -8.753 1.00 0.00 C ATOM 1831 CD ARG A 118 19.477 16.198 -9.233 1.00 0.00 C ATOM 1832 NE ARG A 118 19.231 14.850 -9.761 1.00 0.00 N ATOM 1833 CZ ARG A 118 18.020 14.340 -10.022 1.00 0.00 C ATOM 1834 NH1 ARG A 118 16.912 15.054 -9.823 1.00 0.00 N ATOM 1835 NH2 ARG A 118 17.922 13.109 -10.489 1.00 0.00 N ATOM 0 H ARG A 118 21.714 19.804 -6.780 1.00 0.00 H new ATOM 0 HA ARG A 118 23.034 17.269 -7.154 1.00 0.00 H new ATOM 0 HB2 ARG A 118 20.513 17.799 -7.171 1.00 0.00 H new ATOM 0 HB3 ARG A 118 20.751 18.542 -8.741 1.00 0.00 H new ATOM 0 HG2 ARG A 118 21.597 16.304 -9.601 1.00 0.00 H new ATOM 0 HG3 ARG A 118 21.177 15.599 -8.052 1.00 0.00 H new ATOM 0 HD2 ARG A 118 18.794 16.389 -8.405 1.00 0.00 H new ATOM 0 HD3 ARG A 118 19.254 16.933 -10.007 1.00 0.00 H new ATOM 0 HE ARG A 118 20.042 14.258 -9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 118 16.977 16.007 -9.466 1.00 0.00 H new ATOM 0 HH12 ARG A 118 15.999 14.647 -10.028 1.00 0.00 H new ATOM 0 HH21 ARG A 118 18.764 12.555 -10.648 1.00 0.00 H new ATOM 0 HH22 ARG A 118 17.005 12.712 -10.691 1.00 0.00 H new ATOM 1849 N ILE A 119 23.979 19.545 -9.100 1.00 0.00 N ATOM 1850 CA ILE A 119 24.914 19.919 -10.182 1.00 0.00 C ATOM 1851 C ILE A 119 26.324 19.308 -9.893 1.00 0.00 C ATOM 1852 O ILE A 119 27.221 19.333 -10.748 1.00 0.00 O ATOM 1853 CB ILE A 119 24.984 21.511 -10.355 1.00 0.00 C ATOM 1854 CG1 ILE A 119 23.559 22.150 -10.594 1.00 0.00 C ATOM 1855 CG2 ILE A 119 25.942 21.931 -11.501 1.00 0.00 C ATOM 1856 CD1 ILE A 119 22.696 22.339 -9.352 1.00 0.00 C ATOM 0 H ILE A 119 23.768 20.315 -8.466 1.00 0.00 H new ATOM 0 HA ILE A 119 24.549 19.512 -11.125 1.00 0.00 H new ATOM 0 HB ILE A 119 25.379 21.894 -9.414 1.00 0.00 H new ATOM 0 HG12 ILE A 119 23.693 23.121 -11.070 1.00 0.00 H new ATOM 0 HG13 ILE A 119 23.014 21.522 -11.299 1.00 0.00 H new ATOM 0 HG21 ILE A 119 25.958 23.018 -11.582 1.00 0.00 H new ATOM 0 HG22 ILE A 119 26.947 21.568 -11.286 1.00 0.00 H new ATOM 0 HG23 ILE A 119 25.595 21.502 -12.441 1.00 0.00 H new ATOM 0 HD11 ILE A 119 21.742 22.784 -9.636 1.00 0.00 H new ATOM 0 HD12 ILE A 119 22.519 21.372 -8.881 1.00 0.00 H new ATOM 0 HD13 ILE A 119 23.208 22.996 -8.649 1.00 0.00 H new ATOM 1868 N ILE A 120 26.474 18.709 -8.675 1.00 0.00 N ATOM 1869 CA ILE A 120 27.732 18.124 -8.164 1.00 0.00 C ATOM 1870 C ILE A 120 28.773 19.254 -8.095 1.00 0.00 C ATOM 1871 O ILE A 120 29.866 19.186 -8.673 1.00 0.00 O ATOM 1872 CB ILE A 120 28.233 16.873 -9.012 1.00 0.00 C ATOM 1873 CG1 ILE A 120 27.056 15.873 -9.309 1.00 0.00 C ATOM 1874 CG2 ILE A 120 29.407 16.137 -8.311 1.00 0.00 C ATOM 1875 CD1 ILE A 120 26.369 15.284 -8.083 1.00 0.00 C ATOM 0 H ILE A 120 25.702 18.622 -8.014 1.00 0.00 H new ATOM 0 HA ILE A 120 27.564 17.712 -7.169 1.00 0.00 H new ATOM 0 HB ILE A 120 28.600 17.260 -9.962 1.00 0.00 H new ATOM 0 HG12 ILE A 120 26.307 16.389 -9.910 1.00 0.00 H new ATOM 0 HG13 ILE A 120 27.443 15.054 -9.915 1.00 0.00 H new ATOM 0 HG21 ILE A 120 29.721 15.289 -8.920 1.00 0.00 H new ATOM 0 HG22 ILE A 120 30.244 16.824 -8.186 1.00 0.00 H new ATOM 0 HG23 ILE A 120 29.081 15.780 -7.334 1.00 0.00 H new ATOM 0 HD11 ILE A 120 25.574 14.609 -8.400 1.00 0.00 H new ATOM 0 HD12 ILE A 120 27.097 14.733 -7.488 1.00 0.00 H new ATOM 0 HD13 ILE A 120 25.944 16.088 -7.483 1.00 0.00 H new ATOM 1887 N ARG A 121 28.366 20.312 -7.373 1.00 0.00 N ATOM 1888 CA ARG A 121 29.005 21.634 -7.411 1.00 0.00 C ATOM 1889 C ARG A 121 30.390 21.586 -6.748 1.00 0.00 C ATOM 1890 O ARG A 121 30.519 21.756 -5.527 1.00 0.00 O ATOM 1891 CB ARG A 121 28.077 22.659 -6.708 1.00 0.00 C ATOM 1892 CG ARG A 121 26.621 22.654 -7.229 1.00 0.00 C ATOM 1893 CD ARG A 121 25.659 23.406 -6.300 1.00 0.00 C ATOM 1894 NE ARG A 121 26.020 24.815 -6.078 1.00 0.00 N ATOM 1895 CZ ARG A 121 26.008 25.439 -4.886 1.00 0.00 C ATOM 1896 NH1 ARG A 121 25.804 24.760 -3.761 1.00 0.00 N ATOM 1897 NH2 ARG A 121 26.236 26.741 -4.831 1.00 0.00 N ATOM 0 H ARG A 121 27.570 20.269 -6.737 1.00 0.00 H new ATOM 0 HA ARG A 121 29.155 21.941 -8.446 1.00 0.00 H new ATOM 0 HB2 ARG A 121 28.069 22.452 -5.638 1.00 0.00 H new ATOM 0 HB3 ARG A 121 28.494 23.658 -6.836 1.00 0.00 H new ATOM 0 HG2 ARG A 121 26.592 23.107 -8.220 1.00 0.00 H new ATOM 0 HG3 ARG A 121 26.282 21.624 -7.340 1.00 0.00 H new ATOM 0 HD2 ARG A 121 24.654 23.361 -6.721 1.00 0.00 H new ATOM 0 HD3 ARG A 121 25.625 22.894 -5.338 1.00 0.00 H new ATOM 0 HE ARG A 121 26.302 25.362 -6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 121 25.654 23.752 -3.794 1.00 0.00 H new ATOM 0 HH12 ARG A 121 25.798 25.248 -2.865 1.00 0.00 H new ATOM 0 HH21 ARG A 121 26.419 27.263 -5.688 1.00 0.00 H new ATOM 0 HH22 ARG A 121 26.229 27.222 -3.932 1.00 0.00 H new