USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=17 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 29 TYR OH : rot 30:sc= 0.174 USER MOD Set 1.2: A 98 MET CE :methyl 146:sc= -0.181 (180deg=-2.02!) USER MOD Single : A 9 HIS : no HE2:sc= 0.0102 X(o=0.01,f=-0.067) USER MOD Single : A 11 HIS : no HE2:sc= -0.164 K(o=-0.16,f=-2.4!) USER MOD Single : A 21 GLN : amide:sc= -0.992 X(o=-0.99,f=-0.67) USER MOD Single : A 24 ASN : amide:sc= -4.24! C(o=-4.2!,f=-2!) USER MOD Single : A 26 HIS : no HD1:sc= -0.955 K(o=-0.96,f=-0.2) USER MOD Single : A 33 GLN : amide:sc= -0.518 K(o=-0.52,f=-1.6!) USER MOD Single : A 34 ASN : amide:sc= -4.19! C(o=-4.2!,f=-2.1!) USER MOD Single : A 37 SER OG : rot 120:sc= -0.616 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-3.6!) USER MOD Single : A 45 MET CE :methyl -108:sc= -0.818 (180deg=-2.46) USER MOD Single : A 52 LYS NZ :NH3+ 137:sc= 0.739 (180deg=0.0723) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 67 ASN : amide:sc= -0.816 X(o=-0.82,f=-0.41) USER MOD Single : A 70 SER OG : rot 180:sc= 0.00248 USER MOD Single : A 73 THR OG1 : rot 94:sc= 0.575 USER MOD Single : A 77 GLN : amide:sc= -1.05 K(o=-1.1,f=-3.3!) USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0215) USER MOD Single : A 79 HIS : no HE2:sc= 0.153 K(o=0.15,f=-1.5) USER MOD Single : A 95 TYR OH : rot 36:sc= 0.432 USER MOD Single : A 105 LYS NZ :NH3+ -160:sc= 0.0651 (180deg=-0.32) USER MOD Single : A 107 HIS : no HD1:sc=-0.000857 X(o=-0.00086,f=-0.00086) USER MOD ----------------------------------------------------------------- ATOM 62 N PHE A 5 -8.175 10.484 -0.860 1.00 0.00 N ATOM 63 CA PHE A 5 -6.752 10.277 -0.574 1.00 0.00 C ATOM 64 C PHE A 5 -6.290 11.313 0.460 1.00 0.00 C ATOM 65 O PHE A 5 -6.509 12.522 0.301 1.00 0.00 O ATOM 66 CB PHE A 5 -5.883 10.395 -1.860 1.00 0.00 C ATOM 67 CG PHE A 5 -4.369 10.362 -1.585 1.00 0.00 C ATOM 68 CD1 PHE A 5 -3.772 9.224 -1.046 1.00 0.00 C ATOM 69 CD2 PHE A 5 -3.557 11.472 -1.835 1.00 0.00 C ATOM 70 CE1 PHE A 5 -2.424 9.197 -0.763 1.00 0.00 C ATOM 71 CE2 PHE A 5 -2.203 11.439 -1.557 1.00 0.00 C ATOM 72 CZ PHE A 5 -1.636 10.301 -1.020 1.00 0.00 C ATOM 0 HA PHE A 5 -6.626 9.268 -0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.139 9.580 -2.537 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.131 11.325 -2.372 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.375 8.350 -0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.993 12.368 -2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.982 8.308 -0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.589 12.304 -1.760 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.579 10.274 -0.801 1.00 0.00 H new ATOM 82 N GLU A 6 -5.681 10.798 1.517 1.00 0.00 N ATOM 83 CA GLU A 6 -5.038 11.567 2.576 1.00 0.00 C ATOM 84 C GLU A 6 -3.679 10.907 2.880 1.00 0.00 C ATOM 85 O GLU A 6 -3.505 9.716 2.593 1.00 0.00 O ATOM 86 CB GLU A 6 -5.962 11.562 3.828 1.00 0.00 C ATOM 87 CG GLU A 6 -6.184 10.156 4.437 1.00 0.00 C ATOM 88 CD GLU A 6 -7.394 10.056 5.377 1.00 0.00 C ATOM 89 OE1 GLU A 6 -7.402 10.730 6.428 1.00 0.00 O ATOM 90 OE2 GLU A 6 -8.341 9.294 5.072 1.00 0.00 O ATOM 0 H GLU A 6 -5.618 9.791 1.668 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.873 12.602 2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.531 12.213 4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.928 11.986 3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.309 9.438 3.627 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.288 9.865 4.986 1.00 0.00 H new ATOM 97 N PRO A 7 -2.672 11.664 3.406 1.00 0.00 N ATOM 98 CA PRO A 7 -1.446 11.062 3.977 1.00 0.00 C ATOM 99 C PRO A 7 -1.780 9.974 5.032 1.00 0.00 C ATOM 100 O PRO A 7 -2.317 10.282 6.103 1.00 0.00 O ATOM 101 CB PRO A 7 -0.722 12.272 4.614 1.00 0.00 C ATOM 102 CG PRO A 7 -1.176 13.449 3.806 1.00 0.00 C ATOM 103 CD PRO A 7 -2.608 13.149 3.409 1.00 0.00 C ATOM 0 HA PRO A 7 -0.839 10.548 3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.988 12.386 5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 7 0.361 12.155 4.570 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.116 14.369 4.387 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.547 13.586 2.927 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.317 13.578 4.116 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.846 13.562 2.429 1.00 0.00 H new ATOM 111 N GLY A 8 -1.511 8.704 4.688 1.00 0.00 N ATOM 112 CA GLY A 8 -1.774 7.560 5.574 1.00 0.00 C ATOM 113 C GLY A 8 -2.782 6.576 4.984 1.00 0.00 C ATOM 114 O GLY A 8 -2.794 5.396 5.367 1.00 0.00 O ATOM 0 H GLY A 8 -1.106 8.442 3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.838 7.038 5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.147 7.925 6.531 1.00 0.00 H new ATOM 118 N HIS A 9 -3.608 7.050 4.026 1.00 0.00 N ATOM 119 CA HIS A 9 -4.734 6.270 3.467 1.00 0.00 C ATOM 120 C HIS A 9 -5.032 6.676 2.008 1.00 0.00 C ATOM 121 O HIS A 9 -5.389 7.822 1.731 1.00 0.00 O ATOM 122 CB HIS A 9 -6.001 6.453 4.350 1.00 0.00 C ATOM 123 CG HIS A 9 -7.278 5.916 3.746 1.00 0.00 C ATOM 124 ND1 HIS A 9 -8.277 6.737 3.273 1.00 0.00 N ATOM 125 CD2 HIS A 9 -7.701 4.649 3.519 1.00 0.00 C ATOM 126 CE1 HIS A 9 -9.250 6.006 2.780 1.00 0.00 C ATOM 127 NE2 HIS A 9 -8.934 4.729 2.914 1.00 0.00 N ATOM 0 H HIS A 9 -3.514 7.981 3.620 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.448 5.218 3.467 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.833 5.960 5.308 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.132 7.515 4.557 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -8.263 7.757 3.301 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -7.168 3.743 3.767 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -10.159 6.385 2.338 1.00 0.00 H new ATOM 136 N LEU A 10 -4.918 5.702 1.096 1.00 0.00 N ATOM 137 CA LEU A 10 -5.309 5.837 -0.316 1.00 0.00 C ATOM 138 C LEU A 10 -6.664 5.136 -0.528 1.00 0.00 C ATOM 139 O LEU A 10 -6.938 4.107 0.101 1.00 0.00 O ATOM 140 CB LEU A 10 -4.212 5.198 -1.219 1.00 0.00 C ATOM 141 CG LEU A 10 -4.509 5.135 -2.755 1.00 0.00 C ATOM 142 CD1 LEU A 10 -4.697 6.548 -3.362 1.00 0.00 C ATOM 143 CD2 LEU A 10 -3.401 4.352 -3.496 1.00 0.00 C ATOM 0 H LEU A 10 -4.545 4.780 1.322 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.408 6.889 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.286 5.755 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.031 4.183 -0.866 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.450 4.601 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.901 6.461 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.533 7.046 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.789 7.132 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.628 4.321 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.442 4.847 -3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.351 3.335 -3.106 1.00 0.00 H new ATOM 155 N HIS A 11 -7.527 5.707 -1.385 1.00 0.00 N ATOM 156 CA HIS A 11 -8.811 5.088 -1.774 1.00 0.00 C ATOM 157 C HIS A 11 -8.859 4.869 -3.302 1.00 0.00 C ATOM 158 O HIS A 11 -8.680 5.812 -4.072 1.00 0.00 O ATOM 159 CB HIS A 11 -9.986 5.990 -1.311 1.00 0.00 C ATOM 160 CG HIS A 11 -11.366 5.486 -1.680 1.00 0.00 C ATOM 161 ND1 HIS A 11 -12.408 6.331 -1.974 1.00 0.00 N ATOM 162 CD2 HIS A 11 -11.869 4.231 -1.787 1.00 0.00 C ATOM 163 CE1 HIS A 11 -13.483 5.629 -2.234 1.00 0.00 C ATOM 164 NE2 HIS A 11 -13.191 4.350 -2.128 1.00 0.00 N ATOM 0 H HIS A 11 -7.357 6.610 -1.829 1.00 0.00 H new ATOM 0 HA HIS A 11 -8.903 4.116 -1.289 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.934 6.101 -0.228 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -9.852 6.983 -1.740 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -12.353 7.349 -1.988 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -11.328 3.309 -1.632 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.450 6.033 -2.493 1.00 0.00 H new ATOM 173 N LEU A 12 -9.106 3.616 -3.728 1.00 0.00 N ATOM 174 CA LEU A 12 -9.296 3.277 -5.150 1.00 0.00 C ATOM 175 C LEU A 12 -10.797 3.097 -5.451 1.00 0.00 C ATOM 176 O LEU A 12 -11.486 2.379 -4.728 1.00 0.00 O ATOM 177 CB LEU A 12 -8.549 1.962 -5.525 1.00 0.00 C ATOM 178 CG LEU A 12 -7.011 1.907 -5.238 1.00 0.00 C ATOM 179 CD1 LEU A 12 -6.403 0.554 -5.708 1.00 0.00 C ATOM 180 CD2 LEU A 12 -6.277 3.104 -5.888 1.00 0.00 C ATOM 0 H LEU A 12 -9.179 2.815 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.887 4.095 -5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.022 1.140 -4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.701 1.778 -6.589 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.871 1.979 -4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.334 0.543 -5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.887 -0.266 -5.177 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.562 0.436 -6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.211 3.038 -5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.430 3.082 -6.967 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.672 4.036 -5.484 1.00 0.00 H new ATOM 192 N VAL A 13 -11.291 3.789 -6.485 1.00 0.00 N ATOM 193 CA VAL A 13 -12.542 3.431 -7.197 1.00 0.00 C ATOM 194 C VAL A 13 -12.196 3.289 -8.686 1.00 0.00 C ATOM 195 O VAL A 13 -11.163 3.828 -9.130 1.00 0.00 O ATOM 196 CB VAL A 13 -13.720 4.462 -6.993 1.00 0.00 C ATOM 197 CG1 VAL A 13 -14.236 4.450 -5.535 1.00 0.00 C ATOM 198 CG2 VAL A 13 -13.305 5.886 -7.424 1.00 0.00 C ATOM 0 H VAL A 13 -10.836 4.621 -6.860 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.917 2.498 -6.777 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.541 4.147 -7.637 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.046 5.171 -5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.602 3.454 -5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.423 4.716 -4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.139 6.570 -7.270 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.453 6.213 -6.828 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.029 5.881 -8.479 1.00 0.00 H new ATOM 307 N GLN A 21 -17.668 -1.506 -12.586 1.00 0.00 N ATOM 308 CA GLN A 21 -17.666 -2.497 -11.503 1.00 0.00 C ATOM 309 C GLN A 21 -17.670 -1.774 -10.148 1.00 0.00 C ATOM 310 O GLN A 21 -17.023 -0.727 -9.997 1.00 0.00 O ATOM 311 CB GLN A 21 -16.446 -3.435 -11.634 1.00 0.00 C ATOM 312 CG GLN A 21 -16.491 -4.696 -10.747 1.00 0.00 C ATOM 313 CD GLN A 21 -15.350 -5.681 -11.024 1.00 0.00 C ATOM 314 OE1 GLN A 21 -14.863 -5.795 -12.145 1.00 0.00 O ATOM 315 NE2 GLN A 21 -14.920 -6.401 -10.008 1.00 0.00 N ATOM 0 HA GLN A 21 -18.563 -3.112 -11.571 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.356 -3.745 -12.675 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.546 -2.871 -11.391 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -16.454 -4.395 -9.700 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -17.443 -5.204 -10.900 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -15.342 -6.286 -9.087 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.165 -7.073 -10.143 1.00 0.00 H new ATOM 324 N ASP A 22 -18.366 -2.359 -9.162 1.00 0.00 N ATOM 325 CA ASP A 22 -18.589 -1.733 -7.850 1.00 0.00 C ATOM 326 C ASP A 22 -17.426 -2.065 -6.913 1.00 0.00 C ATOM 327 O ASP A 22 -17.551 -2.889 -5.990 1.00 0.00 O ATOM 328 CB ASP A 22 -19.948 -2.187 -7.258 1.00 0.00 C ATOM 329 CG ASP A 22 -21.159 -1.568 -7.983 1.00 0.00 C ATOM 330 OD1 ASP A 22 -21.448 -0.372 -7.756 1.00 0.00 O ATOM 331 OD2 ASP A 22 -21.821 -2.263 -8.786 1.00 0.00 O ATOM 0 H ASP A 22 -18.791 -3.282 -9.252 1.00 0.00 H new ATOM 0 HA ASP A 22 -18.630 -0.650 -7.968 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -20.016 -3.274 -7.312 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -19.987 -1.917 -6.203 1.00 0.00 H new ATOM 336 N ILE A 23 -16.271 -1.462 -7.215 1.00 0.00 N ATOM 337 CA ILE A 23 -15.045 -1.637 -6.431 1.00 0.00 C ATOM 338 C ILE A 23 -14.749 -0.374 -5.615 1.00 0.00 C ATOM 339 O ILE A 23 -14.982 0.761 -6.064 1.00 0.00 O ATOM 340 CB ILE A 23 -13.810 -2.053 -7.342 1.00 0.00 C ATOM 341 CG1 ILE A 23 -13.265 -0.884 -8.247 1.00 0.00 C ATOM 342 CG2 ILE A 23 -14.167 -3.284 -8.206 1.00 0.00 C ATOM 343 CD1 ILE A 23 -12.058 -0.147 -7.668 1.00 0.00 C ATOM 0 H ILE A 23 -16.161 -0.837 -8.013 1.00 0.00 H new ATOM 0 HA ILE A 23 -15.206 -2.461 -5.736 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.001 -2.306 -6.657 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -12.994 -1.291 -9.221 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.068 -0.166 -8.414 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.311 -3.556 -8.824 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -14.427 -4.121 -7.557 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -15.016 -3.045 -8.847 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.749 0.641 -8.355 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.327 0.294 -6.708 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.236 -0.849 -7.527 1.00 0.00 H new ATOM 355 N ASN A 24 -14.258 -0.609 -4.401 1.00 0.00 N ATOM 356 CA ASN A 24 -13.700 0.410 -3.526 1.00 0.00 C ATOM 357 C ASN A 24 -12.670 -0.279 -2.641 1.00 0.00 C ATOM 358 O ASN A 24 -12.945 -1.329 -2.034 1.00 0.00 O ATOM 359 CB ASN A 24 -14.778 1.150 -2.696 1.00 0.00 C ATOM 360 CG ASN A 24 -15.530 0.287 -1.681 1.00 0.00 C ATOM 361 OD1 ASN A 24 -15.157 0.197 -0.508 1.00 0.00 O ATOM 362 ND2 ASN A 24 -16.579 -0.361 -2.122 1.00 0.00 N ATOM 0 H ASN A 24 -14.238 -1.542 -3.990 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.233 1.193 -4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.301 1.974 -2.165 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.502 1.589 -3.382 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -17.111 -0.960 -1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -16.864 -0.267 -3.097 1.00 0.00 H new ATOM 369 N ILE A 25 -11.470 0.293 -2.601 1.00 0.00 N ATOM 370 CA ILE A 25 -10.317 -0.323 -1.950 1.00 0.00 C ATOM 371 C ILE A 25 -9.711 0.683 -0.983 1.00 0.00 C ATOM 372 O ILE A 25 -9.458 1.838 -1.347 1.00 0.00 O ATOM 373 CB ILE A 25 -9.237 -0.779 -3.001 1.00 0.00 C ATOM 374 CG1 ILE A 25 -9.871 -1.736 -4.066 1.00 0.00 C ATOM 375 CG2 ILE A 25 -8.023 -1.453 -2.300 1.00 0.00 C ATOM 376 CD1 ILE A 25 -8.970 -2.090 -5.227 1.00 0.00 C ATOM 0 H ILE A 25 -11.269 1.201 -3.021 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.648 -1.213 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.872 0.109 -3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.176 -2.657 -3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.776 -1.271 -4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.293 -1.758 -3.050 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.562 -0.745 -1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.362 -2.329 -1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.499 -2.756 -5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.685 -1.181 -5.756 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.075 -2.589 -4.854 1.00 0.00 H new ATOM 388 N HIS A 26 -9.504 0.240 0.251 1.00 0.00 N ATOM 389 CA HIS A 26 -8.892 1.036 1.297 1.00 0.00 C ATOM 390 C HIS A 26 -7.452 0.543 1.397 1.00 0.00 C ATOM 391 O HIS A 26 -7.230 -0.581 1.845 1.00 0.00 O ATOM 392 CB HIS A 26 -9.616 0.830 2.671 1.00 0.00 C ATOM 393 CG HIS A 26 -11.136 0.845 2.663 1.00 0.00 C ATOM 394 ND1 HIS A 26 -11.877 1.193 3.769 1.00 0.00 N ATOM 395 CD2 HIS A 26 -12.049 0.464 1.729 1.00 0.00 C ATOM 396 CE1 HIS A 26 -13.156 1.026 3.510 1.00 0.00 C ATOM 397 NE2 HIS A 26 -13.285 0.585 2.282 1.00 0.00 N ATOM 0 H HIS A 26 -9.763 -0.699 0.554 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.955 2.099 1.063 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.290 -0.124 3.085 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.274 1.608 3.353 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -11.831 0.126 0.727 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -13.967 1.220 4.196 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.167 0.368 1.818 1.00 0.00 H new ATOM 406 N ILE A 27 -6.483 1.353 0.960 1.00 0.00 N ATOM 407 CA ILE A 27 -5.066 1.001 1.082 1.00 0.00 C ATOM 408 C ILE A 27 -4.521 1.787 2.269 1.00 0.00 C ATOM 409 O ILE A 27 -4.341 3.011 2.214 1.00 0.00 O ATOM 410 CB ILE A 27 -4.252 1.297 -0.237 1.00 0.00 C ATOM 411 CG1 ILE A 27 -4.828 0.446 -1.427 1.00 0.00 C ATOM 412 CG2 ILE A 27 -2.728 1.026 -0.041 1.00 0.00 C ATOM 413 CD1 ILE A 27 -4.094 0.594 -2.752 1.00 0.00 C ATOM 0 H ILE A 27 -6.654 2.257 0.519 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.959 -0.072 1.242 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.363 2.355 -0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.814 -0.605 -1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.872 0.722 -1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.198 1.240 -0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.344 1.667 0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.576 -0.019 0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.571 -0.034 -3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.129 1.635 -3.073 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.055 0.287 -2.629 1.00 0.00 H new ATOM 425 N ARG A 28 -4.316 1.053 3.353 1.00 0.00 N ATOM 426 CA ARG A 28 -3.819 1.572 4.608 1.00 0.00 C ATOM 427 C ARG A 28 -2.338 1.213 4.694 1.00 0.00 C ATOM 428 O ARG A 28 -1.985 0.042 4.860 1.00 0.00 O ATOM 429 CB ARG A 28 -4.612 0.937 5.782 1.00 0.00 C ATOM 430 CG ARG A 28 -6.153 1.125 5.714 1.00 0.00 C ATOM 431 CD ARG A 28 -6.879 0.523 6.938 1.00 0.00 C ATOM 432 NE ARG A 28 -6.416 1.113 8.220 1.00 0.00 N ATOM 433 CZ ARG A 28 -5.555 0.535 9.085 1.00 0.00 C ATOM 434 NH1 ARG A 28 -5.102 -0.695 8.879 1.00 0.00 N ATOM 435 NH2 ARG A 28 -5.159 1.193 10.163 1.00 0.00 N ATOM 0 H ARG A 28 -4.498 0.050 3.379 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.944 2.653 4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.393 -0.130 5.813 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.250 1.364 6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.383 2.188 5.646 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.533 0.658 4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.952 0.683 6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.718 -0.555 6.958 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.779 2.033 8.468 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.404 -1.219 8.057 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.452 -1.117 9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.504 2.136 10.340 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.509 0.757 10.817 1.00 0.00 H new ATOM 449 N TYR A 29 -1.479 2.216 4.563 1.00 0.00 N ATOM 450 CA TYR A 29 -0.030 2.046 4.643 1.00 0.00 C ATOM 451 C TYR A 29 0.431 2.742 5.920 1.00 0.00 C ATOM 452 O TYR A 29 0.222 3.946 6.101 1.00 0.00 O ATOM 453 CB TYR A 29 0.675 2.601 3.363 1.00 0.00 C ATOM 454 CG TYR A 29 0.234 4.011 2.915 1.00 0.00 C ATOM 455 CD1 TYR A 29 -0.957 4.198 2.197 1.00 0.00 C ATOM 456 CD2 TYR A 29 0.990 5.153 3.215 1.00 0.00 C ATOM 457 CE1 TYR A 29 -1.368 5.454 1.804 1.00 0.00 C ATOM 458 CE2 TYR A 29 0.574 6.410 2.825 1.00 0.00 C ATOM 459 CZ TYR A 29 -0.603 6.555 2.120 1.00 0.00 C ATOM 460 OH TYR A 29 -1.029 7.806 1.747 1.00 0.00 O ATOM 0 H TYR A 29 -1.769 3.180 4.397 1.00 0.00 H new ATOM 0 HA TYR A 29 0.241 0.991 4.685 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.750 2.616 3.540 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.497 1.906 2.542 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.564 3.341 1.947 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.915 5.047 3.762 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.287 5.574 1.250 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.168 7.278 3.071 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.009 7.824 1.723 1.00 0.00 H new ATOM 470 N GLU A 30 0.983 1.942 6.837 1.00 0.00 N ATOM 471 CA GLU A 30 1.407 2.385 8.166 1.00 0.00 C ATOM 472 C GLU A 30 2.902 2.094 8.310 1.00 0.00 C ATOM 473 O GLU A 30 3.302 0.926 8.370 1.00 0.00 O ATOM 474 CB GLU A 30 0.587 1.610 9.244 1.00 0.00 C ATOM 475 CG GLU A 30 -0.953 1.749 9.102 1.00 0.00 C ATOM 476 CD GLU A 30 -1.744 0.902 10.119 1.00 0.00 C ATOM 477 OE1 GLU A 30 -1.760 1.250 11.316 1.00 0.00 O ATOM 478 OE2 GLU A 30 -2.354 -0.118 9.731 1.00 0.00 O ATOM 0 H GLU A 30 1.150 0.949 6.672 1.00 0.00 H new ATOM 0 HA GLU A 30 1.232 3.453 8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.850 0.554 9.193 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.882 1.965 10.232 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.228 2.797 9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.245 1.457 8.093 1.00 0.00 H new ATOM 485 N VAL A 31 3.728 3.150 8.356 1.00 0.00 N ATOM 486 CA VAL A 31 5.177 2.997 8.532 1.00 0.00 C ATOM 487 C VAL A 31 5.487 2.861 10.024 1.00 0.00 C ATOM 488 O VAL A 31 5.247 3.787 10.811 1.00 0.00 O ATOM 489 CB VAL A 31 5.982 4.196 7.918 1.00 0.00 C ATOM 490 CG1 VAL A 31 7.516 3.969 8.028 1.00 0.00 C ATOM 491 CG2 VAL A 31 5.562 4.451 6.449 1.00 0.00 C ATOM 0 H VAL A 31 3.416 4.118 8.274 1.00 0.00 H new ATOM 0 HA VAL A 31 5.490 2.100 7.998 1.00 0.00 H new ATOM 0 HB VAL A 31 5.740 5.086 8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.042 4.819 7.593 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.795 3.868 9.077 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.789 3.060 7.491 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.134 5.287 6.047 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.757 3.558 5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.499 4.688 6.410 1.00 0.00 H new ATOM 501 N ARG A 32 6.022 1.701 10.394 1.00 0.00 N ATOM 502 CA ARG A 32 6.369 1.360 11.775 1.00 0.00 C ATOM 503 C ARG A 32 7.824 0.889 11.808 1.00 0.00 C ATOM 504 O ARG A 32 8.354 0.417 10.795 1.00 0.00 O ATOM 505 CB ARG A 32 5.429 0.240 12.301 1.00 0.00 C ATOM 506 CG ARG A 32 5.621 -0.130 13.795 1.00 0.00 C ATOM 507 CD ARG A 32 5.069 -1.518 14.145 1.00 0.00 C ATOM 508 NE ARG A 32 5.182 -1.810 15.586 1.00 0.00 N ATOM 509 CZ ARG A 32 6.062 -2.656 16.152 1.00 0.00 C ATOM 510 NH1 ARG A 32 6.958 -3.295 15.410 1.00 0.00 N ATOM 511 NH2 ARG A 32 6.046 -2.844 17.464 1.00 0.00 N ATOM 0 H ARG A 32 6.232 0.955 9.731 1.00 0.00 H new ATOM 0 HA ARG A 32 6.249 2.234 12.415 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.396 0.553 12.150 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.582 -0.655 11.698 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.683 -0.095 14.038 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.127 0.618 14.415 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.023 -1.579 13.844 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.609 -2.276 13.578 1.00 0.00 H new ATOM 0 HE ARG A 32 4.535 -1.327 16.210 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.984 -3.147 14.401 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.621 -3.934 15.849 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.368 -2.348 18.042 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.712 -3.485 17.896 1.00 0.00 H new ATOM 525 N GLN A 33 8.472 1.021 12.967 1.00 0.00 N ATOM 526 CA GLN A 33 9.832 0.523 13.170 1.00 0.00 C ATOM 527 C GLN A 33 9.766 -0.741 14.041 1.00 0.00 C ATOM 528 O GLN A 33 9.383 -0.683 15.217 1.00 0.00 O ATOM 529 CB GLN A 33 10.737 1.602 13.833 1.00 0.00 C ATOM 530 CG GLN A 33 10.689 3.001 13.191 1.00 0.00 C ATOM 531 CD GLN A 33 11.156 3.036 11.736 1.00 0.00 C ATOM 532 OE1 GLN A 33 12.345 3.178 11.454 1.00 0.00 O ATOM 533 NE2 GLN A 33 10.222 2.948 10.799 1.00 0.00 N ATOM 0 H GLN A 33 8.070 1.474 13.788 1.00 0.00 H new ATOM 0 HA GLN A 33 10.275 0.284 12.203 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.453 1.694 14.881 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.768 1.248 13.812 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.668 3.378 13.243 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.309 3.679 13.777 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.244 2.831 11.063 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.482 2.998 9.814 1.00 0.00 H new ATOM 542 N ASN A 34 10.095 -1.883 13.427 1.00 0.00 N ATOM 543 CA ASN A 34 10.234 -3.181 14.122 1.00 0.00 C ATOM 544 C ASN A 34 11.717 -3.456 14.438 1.00 0.00 C ATOM 545 O ASN A 34 12.593 -3.064 13.677 1.00 0.00 O ATOM 546 CB ASN A 34 9.611 -4.341 13.280 1.00 0.00 C ATOM 547 CG ASN A 34 10.342 -4.747 11.980 1.00 0.00 C ATOM 548 OD1 ASN A 34 10.280 -5.901 11.572 1.00 0.00 O ATOM 549 ND2 ASN A 34 11.042 -3.837 11.313 1.00 0.00 N ATOM 0 H ASN A 34 10.275 -1.940 12.425 1.00 0.00 H new ATOM 0 HA ASN A 34 9.685 -3.131 15.062 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.544 -5.222 13.918 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.591 -4.058 13.019 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.531 -4.097 10.457 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.090 -2.878 11.657 1.00 0.00 H new ATOM 556 N ALA A 35 11.988 -4.134 15.562 1.00 0.00 N ATOM 557 CA ALA A 35 13.365 -4.465 15.989 1.00 0.00 C ATOM 558 C ALA A 35 13.995 -5.556 15.092 1.00 0.00 C ATOM 559 O ALA A 35 15.220 -5.725 15.072 1.00 0.00 O ATOM 560 CB ALA A 35 13.367 -4.893 17.464 1.00 0.00 C ATOM 0 H ALA A 35 11.267 -4.469 16.201 1.00 0.00 H new ATOM 0 HA ALA A 35 13.979 -3.571 15.881 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.384 -5.135 17.771 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.986 -4.078 18.080 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.732 -5.770 17.589 1.00 0.00 H new ATOM 566 N GLU A 36 13.132 -6.282 14.356 1.00 0.00 N ATOM 567 CA GLU A 36 13.537 -7.354 13.432 1.00 0.00 C ATOM 568 C GLU A 36 14.284 -6.790 12.199 1.00 0.00 C ATOM 569 O GLU A 36 15.405 -7.210 11.901 1.00 0.00 O ATOM 570 CB GLU A 36 12.276 -8.162 12.994 1.00 0.00 C ATOM 571 CG GLU A 36 12.524 -9.296 11.972 1.00 0.00 C ATOM 572 CD GLU A 36 13.425 -10.425 12.506 1.00 0.00 C ATOM 573 OE1 GLU A 36 12.942 -11.240 13.320 1.00 0.00 O ATOM 574 OE2 GLU A 36 14.614 -10.506 12.119 1.00 0.00 O ATOM 0 H GLU A 36 12.123 -6.137 14.388 1.00 0.00 H new ATOM 0 HA GLU A 36 14.230 -8.017 13.950 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.818 -8.594 13.884 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.552 -7.467 12.568 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.565 -9.719 11.673 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.979 -8.873 11.077 1.00 0.00 H new ATOM 581 N SER A 37 13.660 -5.816 11.508 1.00 0.00 N ATOM 582 CA SER A 37 14.132 -5.331 10.186 1.00 0.00 C ATOM 583 C SER A 37 14.362 -3.801 10.170 1.00 0.00 C ATOM 584 O SER A 37 14.681 -3.224 9.116 1.00 0.00 O ATOM 585 CB SER A 37 13.097 -5.747 9.116 1.00 0.00 C ATOM 586 OG SER A 37 13.534 -5.435 7.805 1.00 0.00 O ATOM 0 H SER A 37 12.821 -5.343 11.843 1.00 0.00 H new ATOM 0 HA SER A 37 15.099 -5.784 9.970 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.909 -6.818 9.190 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.150 -5.243 9.312 1.00 0.00 H new ATOM 0 HG SER A 37 13.592 -6.257 7.275 1.00 0.00 H new ATOM 592 N GLY A 38 14.228 -3.156 11.341 1.00 0.00 N ATOM 593 CA GLY A 38 14.384 -1.701 11.454 1.00 0.00 C ATOM 594 C GLY A 38 13.132 -0.977 10.982 1.00 0.00 C ATOM 595 O GLY A 38 12.074 -1.127 11.582 1.00 0.00 O ATOM 0 H GLY A 38 14.012 -3.622 12.222 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.593 -1.434 12.490 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.240 -1.377 10.862 1.00 0.00 H new ATOM 599 N ALA A 39 13.244 -0.214 9.891 1.00 0.00 N ATOM 600 CA ALA A 39 12.095 0.442 9.251 1.00 0.00 C ATOM 601 C ALA A 39 11.346 -0.557 8.359 1.00 0.00 C ATOM 602 O ALA A 39 11.976 -1.364 7.664 1.00 0.00 O ATOM 603 CB ALA A 39 12.569 1.654 8.428 1.00 0.00 C ATOM 0 H ALA A 39 14.133 -0.032 9.425 1.00 0.00 H new ATOM 0 HA ALA A 39 11.412 0.794 10.024 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.710 2.133 7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.068 2.367 9.084 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.265 1.321 7.658 1.00 0.00 H new ATOM 609 N TYR A 40 10.008 -0.514 8.412 1.00 0.00 N ATOM 610 CA TYR A 40 9.145 -1.266 7.482 1.00 0.00 C ATOM 611 C TYR A 40 7.803 -0.534 7.334 1.00 0.00 C ATOM 612 O TYR A 40 7.491 0.379 8.109 1.00 0.00 O ATOM 613 CB TYR A 40 8.946 -2.753 7.954 1.00 0.00 C ATOM 614 CG TYR A 40 7.784 -3.006 8.934 1.00 0.00 C ATOM 615 CD1 TYR A 40 7.898 -2.715 10.292 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.559 -3.515 8.482 1.00 0.00 C ATOM 617 CE1 TYR A 40 6.846 -2.933 11.157 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.509 -3.733 9.345 1.00 0.00 C ATOM 619 CZ TYR A 40 5.649 -3.433 10.678 1.00 0.00 C ATOM 620 OH TYR A 40 4.592 -3.648 11.539 1.00 0.00 O ATOM 0 H TYR A 40 9.492 0.039 9.096 1.00 0.00 H new ATOM 0 HA TYR A 40 9.630 -1.314 6.507 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.792 -3.375 7.072 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.870 -3.090 8.424 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.825 -2.312 10.673 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.436 -3.741 7.433 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.957 -2.713 12.209 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.579 -4.138 8.975 1.00 0.00 H new ATOM 0 HH TYR A 40 3.828 -4.001 11.037 1.00 0.00 H new ATOM 630 N VAL A 41 7.011 -0.931 6.328 1.00 0.00 N ATOM 631 CA VAL A 41 5.649 -0.415 6.132 1.00 0.00 C ATOM 632 C VAL A 41 4.665 -1.598 6.100 1.00 0.00 C ATOM 633 O VAL A 41 4.818 -2.521 5.289 1.00 0.00 O ATOM 634 CB VAL A 41 5.503 0.420 4.802 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.162 1.200 4.772 1.00 0.00 C ATOM 636 CG2 VAL A 41 6.705 1.369 4.579 1.00 0.00 C ATOM 0 H VAL A 41 7.296 -1.617 5.629 1.00 0.00 H new ATOM 0 HA VAL A 41 5.428 0.256 6.962 1.00 0.00 H new ATOM 0 HB VAL A 41 5.497 -0.292 3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.091 1.766 3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.331 0.497 4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.121 1.886 5.618 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.563 1.924 3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.777 2.067 5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.623 0.785 4.515 1.00 0.00 H new ATOM 646 N HIS A 42 3.683 -1.576 7.009 1.00 0.00 N ATOM 647 CA HIS A 42 2.552 -2.509 6.997 1.00 0.00 C ATOM 648 C HIS A 42 1.523 -2.001 5.984 1.00 0.00 C ATOM 649 O HIS A 42 0.976 -0.910 6.152 1.00 0.00 O ATOM 650 CB HIS A 42 1.926 -2.624 8.419 1.00 0.00 C ATOM 651 CG HIS A 42 0.512 -3.181 8.473 1.00 0.00 C ATOM 652 ND1 HIS A 42 0.215 -4.524 8.481 1.00 0.00 N ATOM 653 CD2 HIS A 42 -0.687 -2.548 8.522 1.00 0.00 C ATOM 654 CE1 HIS A 42 -1.091 -4.689 8.528 1.00 0.00 C ATOM 655 NE2 HIS A 42 -1.660 -3.506 8.556 1.00 0.00 N ATOM 0 H HIS A 42 3.651 -0.906 7.778 1.00 0.00 H new ATOM 0 HA HIS A 42 2.889 -3.505 6.709 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.570 -3.257 9.029 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.925 -1.635 8.877 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.844 -1.479 8.532 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -1.607 -5.638 8.541 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.664 -3.331 8.597 1.00 0.00 H new ATOM 664 N PHE A 43 1.281 -2.780 4.937 1.00 0.00 N ATOM 665 CA PHE A 43 0.246 -2.476 3.940 1.00 0.00 C ATOM 666 C PHE A 43 -0.989 -3.329 4.253 1.00 0.00 C ATOM 667 O PHE A 43 -0.868 -4.514 4.572 1.00 0.00 O ATOM 668 CB PHE A 43 0.776 -2.743 2.512 1.00 0.00 C ATOM 669 CG PHE A 43 2.018 -1.917 2.152 1.00 0.00 C ATOM 670 CD1 PHE A 43 1.899 -0.579 1.770 1.00 0.00 C ATOM 671 CD2 PHE A 43 3.302 -2.474 2.200 1.00 0.00 C ATOM 672 CE1 PHE A 43 3.017 0.170 1.444 1.00 0.00 C ATOM 673 CE2 PHE A 43 4.415 -1.722 1.875 1.00 0.00 C ATOM 674 CZ PHE A 43 4.274 -0.402 1.495 1.00 0.00 C ATOM 0 H PHE A 43 1.793 -3.642 4.750 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.026 -1.422 3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.014 -3.802 2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.015 -2.526 1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.921 -0.122 1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.424 -3.506 2.495 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.906 1.203 1.149 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.398 -2.168 1.918 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.145 0.183 1.238 1.00 0.00 H new ATOM 684 N ASP A 44 -2.162 -2.707 4.199 1.00 0.00 N ATOM 685 CA ASP A 44 -3.439 -3.341 4.552 1.00 0.00 C ATOM 686 C ASP A 44 -4.494 -2.929 3.527 1.00 0.00 C ATOM 687 O ASP A 44 -4.491 -1.794 3.062 1.00 0.00 O ATOM 688 CB ASP A 44 -3.846 -2.915 5.987 1.00 0.00 C ATOM 689 CG ASP A 44 -5.182 -3.507 6.464 1.00 0.00 C ATOM 690 OD1 ASP A 44 -5.367 -4.730 6.360 1.00 0.00 O ATOM 691 OD2 ASP A 44 -6.032 -2.757 6.987 1.00 0.00 O ATOM 0 H ASP A 44 -2.260 -1.735 3.906 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.346 -4.427 4.537 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.060 -3.215 6.680 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.908 -1.828 6.027 1.00 0.00 H new ATOM 696 N MET A 45 -5.373 -3.864 3.154 1.00 0.00 N ATOM 697 CA MET A 45 -6.377 -3.659 2.093 1.00 0.00 C ATOM 698 C MET A 45 -7.715 -4.263 2.516 1.00 0.00 C ATOM 699 O MET A 45 -7.768 -5.408 2.966 1.00 0.00 O ATOM 700 CB MET A 45 -5.913 -4.311 0.755 1.00 0.00 C ATOM 701 CG MET A 45 -4.622 -3.722 0.158 1.00 0.00 C ATOM 702 SD MET A 45 -4.134 -4.529 -1.381 1.00 0.00 S ATOM 703 CE MET A 45 -5.553 -4.204 -2.425 1.00 0.00 C ATOM 0 H MET A 45 -5.412 -4.791 3.579 1.00 0.00 H new ATOM 0 HA MET A 45 -6.492 -2.586 1.938 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.765 -5.378 0.920 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.714 -4.210 0.022 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.764 -2.657 -0.024 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.815 -3.816 0.884 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.116 -5.126 -2.571 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.192 -3.460 -1.949 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.216 -3.828 -3.391 1.00 0.00 H new ATOM 713 N ASP A 46 -8.791 -3.491 2.359 1.00 0.00 N ATOM 714 CA ASP A 46 -10.166 -3.970 2.598 1.00 0.00 C ATOM 715 C ASP A 46 -11.148 -3.212 1.695 1.00 0.00 C ATOM 716 O ASP A 46 -10.747 -2.325 0.938 1.00 0.00 O ATOM 717 CB ASP A 46 -10.573 -3.835 4.097 1.00 0.00 C ATOM 718 CG ASP A 46 -10.793 -2.376 4.555 1.00 0.00 C ATOM 719 OD1 ASP A 46 -9.806 -1.676 4.864 1.00 0.00 O ATOM 720 OD2 ASP A 46 -11.962 -1.933 4.637 1.00 0.00 O ATOM 0 H ASP A 46 -8.741 -2.516 2.063 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.202 -5.031 2.351 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.489 -4.401 4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.798 -4.287 4.716 1.00 0.00 H new ATOM 725 N GLY A 47 -12.425 -3.601 1.757 1.00 0.00 N ATOM 726 CA GLY A 47 -13.498 -2.916 1.032 1.00 0.00 C ATOM 727 C GLY A 47 -14.455 -3.911 0.417 1.00 0.00 C ATOM 728 O GLY A 47 -14.826 -4.885 1.075 1.00 0.00 O ATOM 0 H GLY A 47 -12.743 -4.397 2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.039 -2.258 1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.071 -2.286 0.252 1.00 0.00 H new ATOM 732 N GLU A 48 -14.832 -3.680 -0.847 1.00 0.00 N ATOM 733 CA GLU A 48 -15.671 -4.610 -1.626 1.00 0.00 C ATOM 734 C GLU A 48 -15.340 -4.450 -3.110 1.00 0.00 C ATOM 735 O GLU A 48 -14.692 -3.465 -3.502 1.00 0.00 O ATOM 736 CB GLU A 48 -17.190 -4.398 -1.343 1.00 0.00 C ATOM 737 CG GLU A 48 -17.832 -3.221 -2.087 1.00 0.00 C ATOM 738 CD GLU A 48 -19.236 -2.875 -1.589 1.00 0.00 C ATOM 739 OE1 GLU A 48 -20.203 -3.529 -2.018 1.00 0.00 O ATOM 740 OE2 GLU A 48 -19.376 -1.952 -0.762 1.00 0.00 O ATOM 0 H GLU A 48 -14.565 -2.842 -1.363 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.450 -5.632 -1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -17.724 -5.310 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.327 -4.249 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.193 -2.344 -1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -17.880 -3.457 -3.150 1.00 0.00 H new ATOM 747 N ILE A 49 -15.826 -5.385 -3.943 1.00 0.00 N ATOM 748 CA ILE A 49 -15.379 -5.545 -5.325 1.00 0.00 C ATOM 749 C ILE A 49 -16.529 -6.276 -6.039 1.00 0.00 C ATOM 750 O ILE A 49 -16.780 -7.450 -5.721 1.00 0.00 O ATOM 751 CB ILE A 49 -14.012 -6.332 -5.491 1.00 0.00 C ATOM 752 CG1 ILE A 49 -12.783 -5.426 -5.132 1.00 0.00 C ATOM 753 CG2 ILE A 49 -13.878 -6.886 -6.929 1.00 0.00 C ATOM 754 CD1 ILE A 49 -11.424 -6.088 -5.280 1.00 0.00 C ATOM 0 H ILE A 49 -16.546 -6.053 -3.668 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.162 -4.566 -5.753 1.00 0.00 H new ATOM 0 HB ILE A 49 -14.022 -7.170 -4.793 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -12.808 -4.540 -5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.892 -5.085 -4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.934 -7.423 -7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.705 -7.565 -7.136 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.900 -6.061 -7.640 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.642 -5.379 -5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.369 -6.957 -4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.284 -6.404 -6.314 1.00 0.00 H new ATOM 766 N ASP A 50 -17.259 -5.571 -6.935 1.00 0.00 N ATOM 767 CA ASP A 50 -18.445 -6.123 -7.645 1.00 0.00 C ATOM 768 C ASP A 50 -19.540 -6.503 -6.606 1.00 0.00 C ATOM 769 O ASP A 50 -20.318 -7.443 -6.795 1.00 0.00 O ATOM 770 CB ASP A 50 -18.025 -7.334 -8.548 1.00 0.00 C ATOM 771 CG ASP A 50 -19.084 -7.770 -9.588 1.00 0.00 C ATOM 772 OD1 ASP A 50 -19.147 -7.161 -10.675 1.00 0.00 O ATOM 773 OD2 ASP A 50 -19.845 -8.725 -9.332 1.00 0.00 O ATOM 0 H ASP A 50 -17.046 -4.606 -7.188 1.00 0.00 H new ATOM 0 HA ASP A 50 -18.867 -5.369 -8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.106 -7.075 -9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -17.796 -8.185 -7.906 1.00 0.00 H new ATOM 778 N GLY A 51 -19.598 -5.725 -5.508 1.00 0.00 N ATOM 779 CA GLY A 51 -20.478 -6.028 -4.370 1.00 0.00 C ATOM 780 C GLY A 51 -19.863 -6.945 -3.302 1.00 0.00 C ATOM 781 O GLY A 51 -20.297 -6.910 -2.148 1.00 0.00 O ATOM 0 H GLY A 51 -19.042 -4.879 -5.388 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.772 -5.091 -3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.388 -6.494 -4.747 1.00 0.00 H new ATOM 785 N LYS A 52 -18.879 -7.785 -3.684 1.00 0.00 N ATOM 786 CA LYS A 52 -18.260 -8.786 -2.780 1.00 0.00 C ATOM 787 C LYS A 52 -17.164 -8.152 -1.888 1.00 0.00 C ATOM 788 O LYS A 52 -16.174 -7.655 -2.423 1.00 0.00 O ATOM 789 CB LYS A 52 -17.623 -9.942 -3.599 1.00 0.00 C ATOM 790 CG LYS A 52 -18.604 -10.904 -4.319 1.00 0.00 C ATOM 791 CD LYS A 52 -19.198 -10.350 -5.633 1.00 0.00 C ATOM 792 CE LYS A 52 -20.058 -11.394 -6.369 1.00 0.00 C ATOM 793 NZ LYS A 52 -20.581 -10.882 -7.659 1.00 0.00 N ATOM 0 H LYS A 52 -18.489 -7.791 -4.626 1.00 0.00 H new ATOM 0 HA LYS A 52 -19.056 -9.172 -2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.962 -9.505 -4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.998 -10.531 -2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -18.084 -11.837 -4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -19.421 -11.145 -3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -19.805 -9.472 -5.413 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -18.389 -10.023 -6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.463 -12.289 -6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -20.892 -11.689 -5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.487 -11.618 -8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -21.584 -10.627 -7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.039 -10.041 -7.944 1.00 0.00 H new ATOM 807 N PRO A 53 -17.308 -8.175 -0.519 1.00 0.00 N ATOM 808 CA PRO A 53 -16.269 -7.648 0.406 1.00 0.00 C ATOM 809 C PRO A 53 -14.991 -8.522 0.437 1.00 0.00 C ATOM 810 O PRO A 53 -15.056 -9.746 0.256 1.00 0.00 O ATOM 811 CB PRO A 53 -16.989 -7.623 1.777 1.00 0.00 C ATOM 812 CG PRO A 53 -18.017 -8.711 1.677 1.00 0.00 C ATOM 813 CD PRO A 53 -18.488 -8.687 0.236 1.00 0.00 C ATOM 0 HA PRO A 53 -15.902 -6.669 0.098 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -16.293 -7.808 2.595 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.452 -6.654 1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.590 -9.680 1.935 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -18.845 -8.534 2.364 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -18.780 -9.680 -0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -19.355 -8.039 0.110 1.00 0.00 H new ATOM 821 N PHE A 54 -13.831 -7.874 0.659 1.00 0.00 N ATOM 822 CA PHE A 54 -12.520 -8.558 0.741 1.00 0.00 C ATOM 823 C PHE A 54 -11.645 -7.890 1.818 1.00 0.00 C ATOM 824 O PHE A 54 -11.793 -6.693 2.081 1.00 0.00 O ATOM 825 CB PHE A 54 -11.793 -8.539 -0.647 1.00 0.00 C ATOM 826 CG PHE A 54 -11.161 -7.194 -1.052 1.00 0.00 C ATOM 827 CD1 PHE A 54 -11.954 -6.086 -1.356 1.00 0.00 C ATOM 828 CD2 PHE A 54 -9.769 -7.042 -1.102 1.00 0.00 C ATOM 829 CE1 PHE A 54 -11.380 -4.876 -1.700 1.00 0.00 C ATOM 830 CE2 PHE A 54 -9.199 -5.832 -1.450 1.00 0.00 C ATOM 831 CZ PHE A 54 -10.004 -4.749 -1.743 1.00 0.00 C ATOM 0 H PHE A 54 -13.773 -6.864 0.787 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.688 -9.599 1.018 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.011 -9.298 -0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.509 -8.829 -1.416 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.030 -6.175 -1.322 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.133 -7.882 -0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.007 -4.029 -1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.124 -5.734 -1.493 1.00 0.00 H new ATOM 0 HZ PHE A 54 -9.558 -3.801 -2.006 1.00 0.00 H new ATOM 841 N SER A 55 -10.749 -8.676 2.445 1.00 0.00 N ATOM 842 CA SER A 55 -9.742 -8.164 3.395 1.00 0.00 C ATOM 843 C SER A 55 -8.443 -8.998 3.303 1.00 0.00 C ATOM 844 O SER A 55 -8.477 -10.220 3.480 1.00 0.00 O ATOM 845 CB SER A 55 -10.294 -8.199 4.843 1.00 0.00 C ATOM 846 OG SER A 55 -11.453 -7.387 4.995 1.00 0.00 O ATOM 0 H SER A 55 -10.703 -9.686 2.307 1.00 0.00 H new ATOM 0 HA SER A 55 -9.516 -7.130 3.132 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.534 -9.227 5.114 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.521 -7.860 5.533 1.00 0.00 H new ATOM 0 HG SER A 55 -11.769 -7.439 5.921 1.00 0.00 H new ATOM 852 N ASP A 56 -7.314 -8.324 3.011 1.00 0.00 N ATOM 853 CA ASP A 56 -5.967 -8.937 2.973 1.00 0.00 C ATOM 854 C ASP A 56 -4.918 -7.882 3.385 1.00 0.00 C ATOM 855 O ASP A 56 -5.132 -6.690 3.179 1.00 0.00 O ATOM 856 CB ASP A 56 -5.654 -9.496 1.553 1.00 0.00 C ATOM 857 CG ASP A 56 -4.284 -10.204 1.470 1.00 0.00 C ATOM 858 OD1 ASP A 56 -4.184 -11.365 1.919 1.00 0.00 O ATOM 859 OD2 ASP A 56 -3.296 -9.603 0.981 1.00 0.00 O ATOM 0 H ASP A 56 -7.309 -7.328 2.792 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.934 -9.772 3.673 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.437 -10.197 1.264 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.678 -8.678 0.833 1.00 0.00 H new ATOM 864 N SER A 57 -3.781 -8.330 3.948 1.00 0.00 N ATOM 865 CA SER A 57 -2.717 -7.434 4.447 1.00 0.00 C ATOM 866 C SER A 57 -1.334 -8.089 4.285 1.00 0.00 C ATOM 867 O SER A 57 -1.170 -9.281 4.563 1.00 0.00 O ATOM 868 CB SER A 57 -2.987 -7.061 5.927 1.00 0.00 C ATOM 869 OG SER A 57 -3.272 -8.213 6.708 1.00 0.00 O ATOM 0 H SER A 57 -3.572 -9.321 4.071 1.00 0.00 H new ATOM 0 HA SER A 57 -2.722 -6.519 3.855 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.119 -6.546 6.338 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.825 -6.366 5.982 1.00 0.00 H new ATOM 0 HG SER A 57 -3.436 -7.946 7.637 1.00 0.00 H new ATOM 875 N PHE A 58 -0.351 -7.295 3.832 1.00 0.00 N ATOM 876 CA PHE A 58 1.038 -7.741 3.606 1.00 0.00 C ATOM 877 C PHE A 58 2.017 -6.672 4.123 1.00 0.00 C ATOM 878 O PHE A 58 1.783 -5.478 3.957 1.00 0.00 O ATOM 879 CB PHE A 58 1.273 -8.042 2.102 1.00 0.00 C ATOM 880 CG PHE A 58 1.052 -6.860 1.143 1.00 0.00 C ATOM 881 CD1 PHE A 58 -0.230 -6.509 0.717 1.00 0.00 C ATOM 882 CD2 PHE A 58 2.131 -6.105 0.668 1.00 0.00 C ATOM 883 CE1 PHE A 58 -0.422 -5.452 -0.156 1.00 0.00 C ATOM 884 CE2 PHE A 58 1.937 -5.054 -0.203 1.00 0.00 C ATOM 885 CZ PHE A 58 0.662 -4.723 -0.612 1.00 0.00 C ATOM 0 H PHE A 58 -0.498 -6.311 3.608 1.00 0.00 H new ATOM 0 HA PHE A 58 1.214 -8.664 4.158 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.295 -8.401 1.977 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.611 -8.855 1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.082 -7.069 1.073 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.133 -6.350 0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.419 -5.196 -0.482 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.784 -4.490 -0.565 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.510 -3.895 -1.288 1.00 0.00 H new ATOM 895 N GLU A 59 3.114 -7.111 4.754 1.00 0.00 N ATOM 896 CA GLU A 59 4.122 -6.210 5.355 1.00 0.00 C ATOM 897 C GLU A 59 5.433 -6.330 4.575 1.00 0.00 C ATOM 898 O GLU A 59 5.914 -7.443 4.344 1.00 0.00 O ATOM 899 CB GLU A 59 4.366 -6.541 6.858 1.00 0.00 C ATOM 900 CG GLU A 59 3.146 -6.349 7.789 1.00 0.00 C ATOM 901 CD GLU A 59 2.045 -7.415 7.624 1.00 0.00 C ATOM 902 OE1 GLU A 59 2.298 -8.591 7.941 1.00 0.00 O ATOM 903 OE2 GLU A 59 0.928 -7.080 7.174 1.00 0.00 O ATOM 0 H GLU A 59 3.333 -8.101 4.865 1.00 0.00 H new ATOM 0 HA GLU A 59 3.745 -5.189 5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.700 -7.576 6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.181 -5.915 7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.489 -6.356 8.824 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.714 -5.366 7.603 1.00 0.00 H new ATOM 910 N LEU A 60 6.002 -5.185 4.168 1.00 0.00 N ATOM 911 CA LEU A 60 7.260 -5.127 3.402 1.00 0.00 C ATOM 912 C LEU A 60 8.281 -4.255 4.162 1.00 0.00 C ATOM 913 O LEU A 60 7.935 -3.138 4.560 1.00 0.00 O ATOM 914 CB LEU A 60 6.994 -4.543 1.987 1.00 0.00 C ATOM 915 CG LEU A 60 5.987 -5.331 1.086 1.00 0.00 C ATOM 916 CD1 LEU A 60 5.777 -4.624 -0.272 1.00 0.00 C ATOM 917 CD2 LEU A 60 6.442 -6.792 0.875 1.00 0.00 C ATOM 0 H LEU A 60 5.601 -4.267 4.361 1.00 0.00 H new ATOM 0 HA LEU A 60 7.665 -6.133 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.624 -3.524 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.946 -4.479 1.460 1.00 0.00 H new ATOM 0 HG LEU A 60 5.031 -5.349 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.072 -5.196 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.381 -3.623 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.730 -4.554 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.720 -7.311 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.419 -6.803 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.509 -7.295 1.840 1.00 0.00 H new ATOM 929 N PRO A 61 9.544 -4.753 4.396 1.00 0.00 N ATOM 930 CA PRO A 61 10.635 -3.944 4.997 1.00 0.00 C ATOM 931 C PRO A 61 11.036 -2.758 4.104 1.00 0.00 C ATOM 932 O PRO A 61 10.683 -2.728 2.930 1.00 0.00 O ATOM 933 CB PRO A 61 11.795 -4.964 5.172 1.00 0.00 C ATOM 934 CG PRO A 61 11.511 -6.031 4.166 1.00 0.00 C ATOM 935 CD PRO A 61 10.001 -6.142 4.118 1.00 0.00 C ATOM 0 HA PRO A 61 10.341 -3.480 5.939 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.764 -4.498 4.993 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.818 -5.369 6.184 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.918 -5.769 3.189 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.966 -6.978 4.457 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.655 -6.492 3.146 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.626 -6.845 4.862 1.00 0.00 H new ATOM 943 N ARG A 62 11.776 -1.796 4.686 1.00 0.00 N ATOM 944 CA ARG A 62 12.257 -0.575 3.989 1.00 0.00 C ATOM 945 C ARG A 62 12.921 -0.868 2.614 1.00 0.00 C ATOM 946 O ARG A 62 12.830 -0.064 1.675 1.00 0.00 O ATOM 947 CB ARG A 62 13.245 0.218 4.907 1.00 0.00 C ATOM 948 CG ARG A 62 14.699 -0.330 5.009 1.00 0.00 C ATOM 949 CD ARG A 62 14.814 -1.717 5.681 1.00 0.00 C ATOM 950 NE ARG A 62 16.127 -2.337 5.420 1.00 0.00 N ATOM 951 CZ ARG A 62 16.471 -3.601 5.718 1.00 0.00 C ATOM 952 NH1 ARG A 62 15.682 -4.364 6.457 1.00 0.00 N ATOM 953 NH2 ARG A 62 17.633 -4.082 5.310 1.00 0.00 N ATOM 0 H ARG A 62 12.063 -1.839 5.664 1.00 0.00 H new ATOM 0 HA ARG A 62 11.374 0.030 3.783 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.293 1.246 4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.823 0.252 5.911 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.123 -0.389 4.007 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.304 0.383 5.569 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.666 -1.615 6.756 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.023 -2.369 5.311 1.00 0.00 H new ATOM 0 HE ARG A 62 16.836 -1.755 4.974 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.799 -3.994 6.809 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.957 -5.322 6.675 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.267 -3.494 4.770 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.895 -5.042 5.536 1.00 0.00 H new ATOM 967 N ASP A 63 13.577 -2.035 2.525 1.00 0.00 N ATOM 968 CA ASP A 63 14.326 -2.477 1.340 1.00 0.00 C ATOM 969 C ASP A 63 13.396 -2.864 0.175 1.00 0.00 C ATOM 970 O ASP A 63 13.741 -2.667 -0.995 1.00 0.00 O ATOM 971 CB ASP A 63 15.227 -3.678 1.734 1.00 0.00 C ATOM 972 CG ASP A 63 16.190 -4.121 0.614 1.00 0.00 C ATOM 973 OD1 ASP A 63 17.215 -3.433 0.400 1.00 0.00 O ATOM 974 OD2 ASP A 63 15.929 -5.146 -0.056 1.00 0.00 O ATOM 0 H ASP A 63 13.602 -2.710 3.289 1.00 0.00 H new ATOM 0 HA ASP A 63 14.938 -1.645 0.991 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.808 -3.411 2.617 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.594 -4.521 2.012 1.00 0.00 H new ATOM 979 N THR A 64 12.202 -3.378 0.500 1.00 0.00 N ATOM 980 CA THR A 64 11.274 -3.961 -0.488 1.00 0.00 C ATOM 981 C THR A 64 9.888 -3.291 -0.389 1.00 0.00 C ATOM 982 O THR A 64 8.923 -3.775 -0.985 1.00 0.00 O ATOM 983 CB THR A 64 11.133 -5.510 -0.277 1.00 0.00 C ATOM 984 OG1 THR A 64 10.607 -5.776 1.023 1.00 0.00 O ATOM 985 CG2 THR A 64 12.472 -6.256 -0.443 1.00 0.00 C ATOM 0 H THR A 64 11.849 -3.403 1.456 1.00 0.00 H new ATOM 0 HA THR A 64 11.685 -3.781 -1.481 1.00 0.00 H new ATOM 0 HB THR A 64 10.454 -5.875 -1.047 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.519 -6.744 1.149 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.316 -7.323 -0.286 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.859 -6.090 -1.448 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.189 -5.883 0.288 1.00 0.00 H new ATOM 993 N ALA A 65 9.813 -2.154 0.350 1.00 0.00 N ATOM 994 CA ALA A 65 8.553 -1.421 0.609 1.00 0.00 C ATOM 995 C ALA A 65 7.881 -0.951 -0.688 1.00 0.00 C ATOM 996 O ALA A 65 6.667 -1.063 -0.843 1.00 0.00 O ATOM 997 CB ALA A 65 8.810 -0.227 1.545 1.00 0.00 C ATOM 0 H ALA A 65 10.629 -1.721 0.783 1.00 0.00 H new ATOM 0 HA ALA A 65 7.868 -2.115 1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.874 0.302 1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.212 -0.587 2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.526 0.451 1.081 1.00 0.00 H new ATOM 1003 N PHE A 66 8.718 -0.464 -1.618 1.00 0.00 N ATOM 1004 CA PHE A 66 8.289 0.106 -2.916 1.00 0.00 C ATOM 1005 C PHE A 66 7.737 -0.958 -3.893 1.00 0.00 C ATOM 1006 O PHE A 66 7.176 -0.605 -4.937 1.00 0.00 O ATOM 1007 CB PHE A 66 9.471 0.871 -3.563 1.00 0.00 C ATOM 1008 CG PHE A 66 10.150 1.844 -2.595 1.00 0.00 C ATOM 1009 CD1 PHE A 66 9.564 3.069 -2.280 1.00 0.00 C ATOM 1010 CD2 PHE A 66 11.357 1.510 -1.976 1.00 0.00 C ATOM 1011 CE1 PHE A 66 10.167 3.930 -1.387 1.00 0.00 C ATOM 1012 CE2 PHE A 66 11.954 2.371 -1.081 1.00 0.00 C ATOM 1013 CZ PHE A 66 11.361 3.579 -0.786 1.00 0.00 C ATOM 0 H PHE A 66 9.730 -0.453 -1.492 1.00 0.00 H new ATOM 0 HA PHE A 66 7.466 0.791 -2.711 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.207 0.153 -3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 66 9.109 1.422 -4.431 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.627 3.347 -2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 66 11.828 0.565 -2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.706 4.879 -1.157 1.00 0.00 H new ATOM 0 HE2 PHE A 66 12.887 2.099 -0.611 1.00 0.00 H new ATOM 0 HZ PHE A 66 11.830 4.253 -0.084 1.00 0.00 H new ATOM 1023 N ASN A 67 7.865 -2.247 -3.532 1.00 0.00 N ATOM 1024 CA ASN A 67 7.337 -3.372 -4.337 1.00 0.00 C ATOM 1025 C ASN A 67 5.820 -3.581 -4.107 1.00 0.00 C ATOM 1026 O ASN A 67 5.213 -4.476 -4.709 1.00 0.00 O ATOM 1027 CB ASN A 67 8.122 -4.668 -4.010 1.00 0.00 C ATOM 1028 CG ASN A 67 9.626 -4.559 -4.290 1.00 0.00 C ATOM 1029 OD1 ASN A 67 10.062 -3.802 -5.157 1.00 0.00 O ATOM 1030 ND2 ASN A 67 10.425 -5.319 -3.566 1.00 0.00 N ATOM 0 H ASN A 67 8.336 -2.542 -2.677 1.00 0.00 H new ATOM 0 HA ASN A 67 7.473 -3.126 -5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.973 -4.918 -2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.710 -5.490 -4.595 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.433 -5.289 -3.718 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.035 -5.937 -2.854 1.00 0.00 H new ATOM 1037 N PHE A 68 5.223 -2.720 -3.257 1.00 0.00 N ATOM 1038 CA PHE A 68 3.790 -2.750 -2.897 1.00 0.00 C ATOM 1039 C PHE A 68 2.863 -2.423 -4.083 1.00 0.00 C ATOM 1040 O PHE A 68 1.682 -2.726 -4.022 1.00 0.00 O ATOM 1041 CB PHE A 68 3.499 -1.722 -1.763 1.00 0.00 C ATOM 1042 CG PHE A 68 3.469 -0.255 -2.236 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.638 0.393 -2.622 1.00 0.00 C ATOM 1044 CD2 PHE A 68 2.266 0.451 -2.338 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.621 1.685 -3.086 1.00 0.00 C ATOM 1046 CE2 PHE A 68 2.252 1.750 -2.799 1.00 0.00 C ATOM 1047 CZ PHE A 68 3.432 2.363 -3.179 1.00 0.00 C ATOM 0 H PHE A 68 5.734 -1.969 -2.792 1.00 0.00 H new ATOM 0 HA PHE A 68 3.583 -3.769 -2.571 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.540 -1.964 -1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.258 -1.827 -0.988 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.580 -0.132 -2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.340 -0.026 -2.053 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.542 2.167 -3.377 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.319 2.290 -2.863 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.417 3.377 -3.550 1.00 0.00 H new ATOM 1057 N ALA A 69 3.394 -1.786 -5.147 1.00 0.00 N ATOM 1058 CA ALA A 69 2.553 -1.104 -6.151 1.00 0.00 C ATOM 1059 C ALA A 69 1.890 -2.139 -7.057 1.00 0.00 C ATOM 1060 O ALA A 69 0.670 -2.142 -7.246 1.00 0.00 O ATOM 1061 CB ALA A 69 3.404 -0.124 -6.959 1.00 0.00 C ATOM 0 H ALA A 69 4.395 -1.730 -5.332 1.00 0.00 H new ATOM 0 HA ALA A 69 1.768 -0.538 -5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.779 0.377 -7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.839 0.618 -6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.202 -0.667 -7.466 1.00 0.00 H new ATOM 1067 N SER A 70 2.734 -3.034 -7.579 1.00 0.00 N ATOM 1068 CA SER A 70 2.313 -4.160 -8.409 1.00 0.00 C ATOM 1069 C SER A 70 1.631 -5.236 -7.544 1.00 0.00 C ATOM 1070 O SER A 70 0.714 -5.914 -8.007 1.00 0.00 O ATOM 1071 CB SER A 70 3.540 -4.732 -9.160 1.00 0.00 C ATOM 1072 OG SER A 70 4.604 -5.039 -8.269 1.00 0.00 O ATOM 0 H SER A 70 3.743 -2.994 -7.433 1.00 0.00 H new ATOM 0 HA SER A 70 1.585 -3.820 -9.145 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.248 -5.631 -9.702 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.883 -4.010 -9.901 1.00 0.00 H new ATOM 0 HG SER A 70 5.361 -5.399 -8.776 1.00 0.00 H new ATOM 1078 N ASP A 71 2.077 -5.347 -6.270 1.00 0.00 N ATOM 1079 CA ASP A 71 1.598 -6.379 -5.332 1.00 0.00 C ATOM 1080 C ASP A 71 0.144 -6.107 -4.892 1.00 0.00 C ATOM 1081 O ASP A 71 -0.715 -6.959 -5.085 1.00 0.00 O ATOM 1082 CB ASP A 71 2.533 -6.459 -4.096 1.00 0.00 C ATOM 1083 CG ASP A 71 2.283 -7.710 -3.229 1.00 0.00 C ATOM 1084 OD1 ASP A 71 1.428 -7.672 -2.323 1.00 0.00 O ATOM 1085 OD2 ASP A 71 2.922 -8.757 -3.478 1.00 0.00 O ATOM 0 H ASP A 71 2.777 -4.723 -5.869 1.00 0.00 H new ATOM 0 HA ASP A 71 1.615 -7.338 -5.850 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.570 -6.458 -4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.395 -5.567 -3.485 1.00 0.00 H new ATOM 1090 N ALA A 72 -0.095 -4.920 -4.293 1.00 0.00 N ATOM 1091 CA ALA A 72 -1.434 -4.466 -3.844 1.00 0.00 C ATOM 1092 C ALA A 72 -2.486 -4.534 -4.964 1.00 0.00 C ATOM 1093 O ALA A 72 -3.589 -5.052 -4.754 1.00 0.00 O ATOM 1094 CB ALA A 72 -1.358 -3.038 -3.267 1.00 0.00 C ATOM 0 H ALA A 72 0.643 -4.241 -4.105 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.754 -5.153 -3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.350 -2.723 -2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.677 -3.025 -2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.993 -2.355 -4.034 1.00 0.00 H new ATOM 1100 N THR A 73 -2.136 -4.014 -6.154 1.00 0.00 N ATOM 1101 CA THR A 73 -3.004 -4.080 -7.341 1.00 0.00 C ATOM 1102 C THR A 73 -3.352 -5.548 -7.685 1.00 0.00 C ATOM 1103 O THR A 73 -4.522 -5.878 -7.921 1.00 0.00 O ATOM 1104 CB THR A 73 -2.319 -3.369 -8.552 1.00 0.00 C ATOM 1105 OG1 THR A 73 -2.098 -1.984 -8.229 1.00 0.00 O ATOM 1106 CG2 THR A 73 -3.149 -3.466 -9.843 1.00 0.00 C ATOM 0 H THR A 73 -1.248 -3.539 -6.319 1.00 0.00 H new ATOM 0 HA THR A 73 -3.936 -3.559 -7.119 1.00 0.00 H new ATOM 0 HB THR A 73 -1.373 -3.879 -8.736 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.196 -1.874 -7.861 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.626 -2.955 -10.651 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.290 -4.514 -10.107 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.121 -2.998 -9.687 1.00 0.00 H new ATOM 1114 N ARG A 74 -2.311 -6.406 -7.693 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.452 -7.862 -7.900 1.00 0.00 C ATOM 1116 C ARG A 74 -3.381 -8.522 -6.853 1.00 0.00 C ATOM 1117 O ARG A 74 -4.171 -9.397 -7.210 1.00 0.00 O ATOM 1118 CB ARG A 74 -1.061 -8.544 -7.932 1.00 0.00 C ATOM 1119 CG ARG A 74 -1.081 -10.075 -8.143 1.00 0.00 C ATOM 1120 CD ARG A 74 0.328 -10.659 -8.347 1.00 0.00 C ATOM 1121 NE ARG A 74 1.228 -10.350 -7.218 1.00 0.00 N ATOM 1122 CZ ARG A 74 2.454 -9.817 -7.314 1.00 0.00 C ATOM 1123 NH1 ARG A 74 2.950 -9.472 -8.486 1.00 0.00 N ATOM 1124 NH2 ARG A 74 3.169 -9.607 -6.225 1.00 0.00 N ATOM 0 H ARG A 74 -1.345 -6.107 -7.556 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.930 -8.007 -8.869 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.471 -8.092 -8.729 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.548 -8.330 -6.995 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.547 -10.552 -7.281 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.698 -10.311 -9.010 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.258 -11.740 -8.468 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.754 -10.262 -9.268 1.00 0.00 H new ATOM 0 HE ARG A 74 0.886 -10.561 -6.281 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.399 -9.610 -9.333 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.884 -9.067 -8.545 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.789 -9.850 -5.310 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.102 -9.201 -6.298 1.00 0.00 H new ATOM 1138 N VAL A 75 -3.297 -8.074 -5.584 1.00 0.00 N ATOM 1139 CA VAL A 75 -4.135 -8.603 -4.481 1.00 0.00 C ATOM 1140 C VAL A 75 -5.621 -8.387 -4.808 1.00 0.00 C ATOM 1141 O VAL A 75 -6.434 -9.317 -4.719 1.00 0.00 O ATOM 1142 CB VAL A 75 -3.797 -7.923 -3.088 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -4.807 -8.324 -1.979 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -2.355 -8.245 -2.632 1.00 0.00 C ATOM 0 H VAL A 75 -2.652 -7.340 -5.293 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.918 -9.667 -4.391 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.880 -6.848 -3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.534 -7.834 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.810 -8.015 -2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.786 -9.405 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.160 -7.762 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.240 -9.324 -2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.648 -7.876 -3.375 1.00 0.00 H new ATOM 1154 N ALA A 76 -5.948 -7.157 -5.232 1.00 0.00 N ATOM 1155 CA ALA A 76 -7.325 -6.729 -5.487 1.00 0.00 C ATOM 1156 C ALA A 76 -7.900 -7.373 -6.764 1.00 0.00 C ATOM 1157 O ALA A 76 -9.071 -7.743 -6.798 1.00 0.00 O ATOM 1158 CB ALA A 76 -7.374 -5.205 -5.570 1.00 0.00 C ATOM 0 H ALA A 76 -5.256 -6.428 -5.408 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.950 -7.065 -4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.398 -4.884 -5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.028 -4.778 -4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.731 -4.864 -6.381 1.00 0.00 H new ATOM 1164 N GLN A 77 -7.074 -7.480 -7.829 1.00 0.00 N ATOM 1165 CA GLN A 77 -7.511 -8.078 -9.118 1.00 0.00 C ATOM 1166 C GLN A 77 -7.649 -9.603 -9.041 1.00 0.00 C ATOM 1167 O GLN A 77 -8.379 -10.197 -9.841 1.00 0.00 O ATOM 1168 CB GLN A 77 -6.636 -7.619 -10.307 1.00 0.00 C ATOM 1169 CG GLN A 77 -5.195 -8.120 -10.304 1.00 0.00 C ATOM 1170 CD GLN A 77 -4.351 -7.455 -11.393 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -3.742 -6.416 -11.168 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -4.360 -8.011 -12.592 1.00 0.00 N ATOM 0 H GLN A 77 -6.105 -7.163 -7.825 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.513 -7.694 -9.311 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.112 -7.946 -11.231 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.622 -6.529 -10.324 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.747 -7.926 -9.330 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.187 -9.200 -10.449 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.876 -8.877 -12.749 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.851 -7.575 -13.360 1.00 0.00 H new ATOM 1181 N LYS A 78 -6.953 -10.239 -8.078 1.00 0.00 N ATOM 1182 CA LYS A 78 -7.220 -11.650 -7.721 1.00 0.00 C ATOM 1183 C LYS A 78 -8.622 -11.799 -7.095 1.00 0.00 C ATOM 1184 O LYS A 78 -9.190 -12.892 -7.105 1.00 0.00 O ATOM 1185 CB LYS A 78 -6.143 -12.217 -6.758 1.00 0.00 C ATOM 1186 CG LYS A 78 -4.776 -12.505 -7.423 1.00 0.00 C ATOM 1187 CD LYS A 78 -3.772 -13.201 -6.471 1.00 0.00 C ATOM 1188 CE LYS A 78 -4.267 -14.578 -5.973 1.00 0.00 C ATOM 1189 NZ LYS A 78 -4.473 -15.543 -7.090 1.00 0.00 N ATOM 0 H LYS A 78 -6.207 -9.804 -7.536 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.179 -12.228 -8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.994 -11.509 -5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.519 -13.139 -6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.931 -13.133 -8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.345 -11.568 -7.774 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.820 -13.328 -6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.587 -12.556 -5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.543 -14.989 -5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.203 -14.450 -5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.756 -16.466 -6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.219 -15.189 -7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.588 -15.648 -7.625 1.00 0.00 H new ATOM 1203 N HIS A 79 -9.172 -10.685 -6.570 1.00 0.00 N ATOM 1204 CA HIS A 79 -10.521 -10.637 -5.972 1.00 0.00 C ATOM 1205 C HIS A 79 -11.539 -10.059 -6.978 1.00 0.00 C ATOM 1206 O HIS A 79 -12.705 -9.878 -6.634 1.00 0.00 O ATOM 1207 CB HIS A 79 -10.507 -9.793 -4.661 1.00 0.00 C ATOM 1208 CG HIS A 79 -9.773 -10.434 -3.511 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -8.564 -9.978 -3.029 1.00 0.00 N ATOM 1210 CD2 HIS A 79 -10.097 -11.499 -2.743 1.00 0.00 C ATOM 1211 CE1 HIS A 79 -8.180 -10.735 -2.019 1.00 0.00 C ATOM 1212 NE2 HIS A 79 -9.095 -11.667 -1.825 1.00 0.00 N ATOM 0 H HIS A 79 -8.688 -9.787 -6.549 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.824 -11.654 -5.723 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -10.051 -8.826 -4.872 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -11.536 -9.601 -4.357 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -8.047 -9.179 -3.396 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.985 -12.107 -2.837 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.272 -10.613 -1.448 1.00 0.00 H new ATOM 1221 N GLY A 80 -11.098 -9.820 -8.236 1.00 0.00 N ATOM 1222 CA GLY A 80 -11.940 -9.239 -9.281 1.00 0.00 C ATOM 1223 C GLY A 80 -11.273 -8.034 -9.916 1.00 0.00 C ATOM 1224 O GLY A 80 -10.425 -8.194 -10.795 1.00 0.00 O ATOM 0 H GLY A 80 -10.148 -10.028 -8.543 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.145 -9.989 -10.045 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.900 -8.945 -8.857 1.00 0.00 H new ATOM 1228 N LEU A 81 -11.644 -6.848 -9.406 1.00 0.00 N ATOM 1229 CA LEU A 81 -11.136 -5.524 -9.808 1.00 0.00 C ATOM 1230 C LEU A 81 -11.223 -5.282 -11.335 1.00 0.00 C ATOM 1231 O LEU A 81 -12.160 -4.640 -11.811 1.00 0.00 O ATOM 1232 CB LEU A 81 -9.694 -5.324 -9.280 1.00 0.00 C ATOM 1233 CG LEU A 81 -9.090 -3.907 -9.434 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -9.926 -2.885 -8.659 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -7.613 -3.878 -8.982 1.00 0.00 C ATOM 0 H LEU A 81 -12.342 -6.782 -8.665 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.784 -4.775 -9.353 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.679 -5.588 -8.223 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.042 -6.030 -9.794 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.113 -3.638 -10.490 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.489 -1.893 -8.777 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.945 -2.881 -9.045 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.940 -3.152 -7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.216 -2.870 -9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.547 -4.172 -7.934 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.033 -4.571 -9.591 1.00 0.00 H new ATOM 1466 N TYR A 95 1.791 6.826 -8.632 1.00 0.00 N ATOM 1467 CA TYR A 95 2.727 5.945 -7.927 1.00 0.00 C ATOM 1468 C TYR A 95 3.941 6.737 -7.449 1.00 0.00 C ATOM 1469 O TYR A 95 4.395 6.543 -6.331 1.00 0.00 O ATOM 1470 CB TYR A 95 3.154 4.764 -8.849 1.00 0.00 C ATOM 1471 CG TYR A 95 4.327 3.905 -8.312 1.00 0.00 C ATOM 1472 CD1 TYR A 95 4.337 3.424 -6.994 1.00 0.00 C ATOM 1473 CD2 TYR A 95 5.438 3.606 -9.114 1.00 0.00 C ATOM 1474 CE1 TYR A 95 5.397 2.678 -6.512 1.00 0.00 C ATOM 1475 CE2 TYR A 95 6.494 2.857 -8.626 1.00 0.00 C ATOM 1476 CZ TYR A 95 6.469 2.400 -7.327 1.00 0.00 C ATOM 1477 OH TYR A 95 7.516 1.647 -6.840 1.00 0.00 O ATOM 0 HA TYR A 95 2.230 5.528 -7.051 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.292 4.116 -9.007 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.434 5.166 -9.823 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.502 3.640 -6.344 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.470 3.967 -10.131 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.383 2.314 -5.495 1.00 0.00 H new ATOM 0 HE2 TYR A 95 7.337 2.631 -9.263 1.00 0.00 H new ATOM 0 HH TYR A 95 7.171 0.963 -6.230 1.00 0.00 H new ATOM 1487 N ASP A 96 4.437 7.630 -8.316 1.00 0.00 N ATOM 1488 CA ASP A 96 5.615 8.480 -8.038 1.00 0.00 C ATOM 1489 C ASP A 96 5.432 9.330 -6.765 1.00 0.00 C ATOM 1490 O ASP A 96 6.402 9.601 -6.052 1.00 0.00 O ATOM 1491 CB ASP A 96 5.895 9.391 -9.255 1.00 0.00 C ATOM 1492 CG ASP A 96 6.109 8.595 -10.556 1.00 0.00 C ATOM 1493 OD1 ASP A 96 5.108 8.134 -11.153 1.00 0.00 O ATOM 1494 OD2 ASP A 96 7.272 8.391 -10.966 1.00 0.00 O ATOM 0 H ASP A 96 4.033 7.788 -9.239 1.00 0.00 H new ATOM 0 HA ASP A 96 6.467 7.823 -7.864 1.00 0.00 H new ATOM 0 HB2 ASP A 96 5.060 10.079 -9.388 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.779 9.997 -9.055 1.00 0.00 H new ATOM 1499 N ALA A 97 4.175 9.732 -6.497 1.00 0.00 N ATOM 1500 CA ALA A 97 3.809 10.517 -5.304 1.00 0.00 C ATOM 1501 C ALA A 97 3.941 9.667 -4.025 1.00 0.00 C ATOM 1502 O ALA A 97 4.504 10.113 -3.026 1.00 0.00 O ATOM 1503 CB ALA A 97 2.382 11.077 -5.452 1.00 0.00 C ATOM 0 H ALA A 97 3.383 9.521 -7.104 1.00 0.00 H new ATOM 0 HA ALA A 97 4.499 11.356 -5.216 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.124 11.655 -4.564 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.333 11.720 -6.331 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.678 10.253 -5.566 1.00 0.00 H new ATOM 1509 N MET A 98 3.383 8.448 -4.063 1.00 0.00 N ATOM 1510 CA MET A 98 3.472 7.497 -2.936 1.00 0.00 C ATOM 1511 C MET A 98 4.932 7.039 -2.694 1.00 0.00 C ATOM 1512 O MET A 98 5.369 6.923 -1.555 1.00 0.00 O ATOM 1513 CB MET A 98 2.560 6.273 -3.205 1.00 0.00 C ATOM 1514 CG MET A 98 2.314 5.390 -1.974 1.00 0.00 C ATOM 1515 SD MET A 98 1.374 6.235 -0.686 1.00 0.00 S ATOM 1516 CE MET A 98 -0.180 6.547 -1.532 1.00 0.00 C ATOM 0 H MET A 98 2.862 8.093 -4.865 1.00 0.00 H new ATOM 0 HA MET A 98 3.133 8.007 -2.035 1.00 0.00 H new ATOM 0 HB2 MET A 98 1.600 6.625 -3.583 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.009 5.665 -3.991 1.00 0.00 H new ATOM 0 HG2 MET A 98 1.778 4.491 -2.278 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.272 5.067 -1.566 1.00 0.00 H new ATOM 0 HE1 MET A 98 -1.002 6.482 -0.819 1.00 0.00 H new ATOM 0 HE2 MET A 98 -0.160 7.543 -1.973 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.322 5.805 -2.318 1.00 0.00 H new ATOM 1526 N PHE A 99 5.649 6.793 -3.804 1.00 0.00 N ATOM 1527 CA PHE A 99 7.056 6.338 -3.821 1.00 0.00 C ATOM 1528 C PHE A 99 7.962 7.291 -3.020 1.00 0.00 C ATOM 1529 O PHE A 99 8.703 6.855 -2.127 1.00 0.00 O ATOM 1530 CB PHE A 99 7.544 6.218 -5.297 1.00 0.00 C ATOM 1531 CG PHE A 99 8.951 5.614 -5.479 1.00 0.00 C ATOM 1532 CD1 PHE A 99 10.099 6.411 -5.428 1.00 0.00 C ATOM 1533 CD2 PHE A 99 9.120 4.247 -5.704 1.00 0.00 C ATOM 1534 CE1 PHE A 99 11.358 5.860 -5.595 1.00 0.00 C ATOM 1535 CE2 PHE A 99 10.381 3.700 -5.873 1.00 0.00 C ATOM 1536 CZ PHE A 99 11.498 4.506 -5.817 1.00 0.00 C ATOM 0 H PHE A 99 5.259 6.907 -4.740 1.00 0.00 H new ATOM 0 HA PHE A 99 7.114 5.360 -3.343 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.830 5.607 -5.850 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.531 7.210 -5.748 1.00 0.00 H new ATOM 0 HD1 PHE A 99 10.002 7.473 -5.256 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.253 3.605 -5.747 1.00 0.00 H new ATOM 0 HE1 PHE A 99 12.233 6.492 -5.551 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.490 2.640 -6.049 1.00 0.00 H new ATOM 0 HZ PHE A 99 12.481 4.078 -5.947 1.00 0.00 H new ATOM 1546 N GLU A 100 7.869 8.593 -3.342 1.00 0.00 N ATOM 1547 CA GLU A 100 8.701 9.630 -2.709 1.00 0.00 C ATOM 1548 C GLU A 100 8.310 9.852 -1.235 1.00 0.00 C ATOM 1549 O GLU A 100 9.158 10.211 -0.416 1.00 0.00 O ATOM 1550 CB GLU A 100 8.627 10.966 -3.492 1.00 0.00 C ATOM 1551 CG GLU A 100 7.207 11.557 -3.618 1.00 0.00 C ATOM 1552 CD GLU A 100 7.153 12.966 -4.224 1.00 0.00 C ATOM 1553 OE1 GLU A 100 7.273 13.106 -5.460 1.00 0.00 O ATOM 1554 OE2 GLU A 100 6.981 13.943 -3.460 1.00 0.00 O ATOM 0 H GLU A 100 7.221 8.953 -4.042 1.00 0.00 H new ATOM 0 HA GLU A 100 9.730 9.272 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.268 11.697 -3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.031 10.809 -4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.603 10.889 -4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.749 11.583 -2.629 1.00 0.00 H new ATOM 1561 N ASP A 101 7.022 9.638 -0.910 1.00 0.00 N ATOM 1562 CA ASP A 101 6.514 9.822 0.463 1.00 0.00 C ATOM 1563 C ASP A 101 7.018 8.700 1.390 1.00 0.00 C ATOM 1564 O ASP A 101 7.436 8.965 2.521 1.00 0.00 O ATOM 1565 CB ASP A 101 4.967 9.879 0.482 1.00 0.00 C ATOM 1566 CG ASP A 101 4.401 10.108 1.902 1.00 0.00 C ATOM 1567 OD1 ASP A 101 4.497 11.248 2.406 1.00 0.00 O ATOM 1568 OD2 ASP A 101 3.873 9.155 2.525 1.00 0.00 O ATOM 0 H ASP A 101 6.313 9.337 -1.579 1.00 0.00 H new ATOM 0 HA ASP A 101 6.896 10.774 0.832 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.628 10.680 -0.174 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.567 8.948 0.081 1.00 0.00 H new ATOM 1573 N ILE A 102 6.932 7.448 0.903 1.00 0.00 N ATOM 1574 CA ILE A 102 7.445 6.262 1.616 1.00 0.00 C ATOM 1575 C ILE A 102 8.968 6.378 1.842 1.00 0.00 C ATOM 1576 O ILE A 102 9.436 6.143 2.946 1.00 0.00 O ATOM 1577 CB ILE A 102 7.083 4.916 0.860 1.00 0.00 C ATOM 1578 CG1 ILE A 102 5.530 4.720 0.801 1.00 0.00 C ATOM 1579 CG2 ILE A 102 7.764 3.678 1.508 1.00 0.00 C ATOM 1580 CD1 ILE A 102 5.055 3.448 0.103 1.00 0.00 C ATOM 0 H ILE A 102 6.504 7.230 0.003 1.00 0.00 H new ATOM 0 HA ILE A 102 6.954 6.226 2.589 1.00 0.00 H new ATOM 0 HB ILE A 102 7.469 5.002 -0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.142 4.721 1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.092 5.578 0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.487 2.780 0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.847 3.802 1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.437 3.583 2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.966 3.410 0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.404 3.447 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.455 2.577 0.622 1.00 0.00 H new ATOM 1592 N ARG A 103 9.721 6.786 0.792 1.00 0.00 N ATOM 1593 CA ARG A 103 11.197 6.950 0.895 1.00 0.00 C ATOM 1594 C ARG A 103 11.550 8.076 1.894 1.00 0.00 C ATOM 1595 O ARG A 103 12.611 8.047 2.525 1.00 0.00 O ATOM 1596 CB ARG A 103 11.868 7.128 -0.510 1.00 0.00 C ATOM 1597 CG ARG A 103 11.828 8.528 -1.166 1.00 0.00 C ATOM 1598 CD ARG A 103 12.960 9.460 -0.695 1.00 0.00 C ATOM 1599 NE ARG A 103 14.301 8.932 -1.036 1.00 0.00 N ATOM 1600 CZ ARG A 103 15.267 8.623 -0.153 1.00 0.00 C ATOM 1601 NH1 ARG A 103 15.050 8.685 1.154 1.00 0.00 N ATOM 1602 NH2 ARG A 103 16.445 8.220 -0.592 1.00 0.00 N ATOM 0 H ARG A 103 9.339 7.006 -0.128 1.00 0.00 H new ATOM 0 HA ARG A 103 11.619 6.029 1.297 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.913 6.832 -0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.396 6.425 -1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.888 8.415 -2.248 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.868 8.996 -0.947 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.832 10.442 -1.150 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.890 9.597 0.384 1.00 0.00 H new ATOM 0 HE ARG A 103 14.510 8.791 -2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.137 8.971 1.506 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.797 8.446 1.807 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.617 8.145 -1.595 1.00 0.00 H new ATOM 0 HH22 ARG A 103 17.183 7.984 0.071 1.00 0.00 H new ATOM 1616 N ALA A 104 10.651 9.074 2.007 1.00 0.00 N ATOM 1617 CA ALA A 104 10.824 10.221 2.908 1.00 0.00 C ATOM 1618 C ALA A 104 10.601 9.799 4.372 1.00 0.00 C ATOM 1619 O ALA A 104 11.373 10.169 5.256 1.00 0.00 O ATOM 1620 CB ALA A 104 9.862 11.350 2.512 1.00 0.00 C ATOM 0 H ALA A 104 9.783 9.103 1.472 1.00 0.00 H new ATOM 0 HA ALA A 104 11.846 10.588 2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.997 12.196 3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.070 11.663 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.834 10.993 2.580 1.00 0.00 H new ATOM 1626 N LYS A 105 9.525 9.031 4.625 1.00 0.00 N ATOM 1627 CA LYS A 105 9.205 8.515 5.972 1.00 0.00 C ATOM 1628 C LYS A 105 10.206 7.432 6.437 1.00 0.00 C ATOM 1629 O LYS A 105 10.447 7.279 7.639 1.00 0.00 O ATOM 1630 CB LYS A 105 7.756 7.978 6.007 1.00 0.00 C ATOM 1631 CG LYS A 105 7.175 7.668 7.422 1.00 0.00 C ATOM 1632 CD LYS A 105 6.784 8.921 8.273 1.00 0.00 C ATOM 1633 CE LYS A 105 7.970 9.608 8.988 1.00 0.00 C ATOM 1634 NZ LYS A 105 8.672 8.687 9.909 1.00 0.00 N ATOM 0 H LYS A 105 8.856 8.751 3.908 1.00 0.00 H new ATOM 0 HA LYS A 105 9.292 9.346 6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.108 8.707 5.522 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.713 7.067 5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.292 7.039 7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.909 7.086 7.979 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.298 9.648 7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.050 8.621 9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 105 8.673 9.983 8.244 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.606 10.471 9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.218 9.238 10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.976 8.097 10.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 9.317 8.078 9.366 1.00 0.00 H new ATOM 1648 N LEU A 106 10.764 6.688 5.471 1.00 0.00 N ATOM 1649 CA LEU A 106 11.870 5.724 5.698 1.00 0.00 C ATOM 1650 C LEU A 106 13.184 6.474 6.023 1.00 0.00 C ATOM 1651 O LEU A 106 14.033 5.964 6.762 1.00 0.00 O ATOM 1652 CB LEU A 106 12.029 4.786 4.456 1.00 0.00 C ATOM 1653 CG LEU A 106 11.164 3.470 4.429 1.00 0.00 C ATOM 1654 CD1 LEU A 106 9.720 3.696 4.933 1.00 0.00 C ATOM 1655 CD2 LEU A 106 11.159 2.855 3.005 1.00 0.00 C ATOM 0 H LEU A 106 10.463 6.733 4.498 1.00 0.00 H new ATOM 0 HA LEU A 106 11.630 5.100 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.791 5.365 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.078 4.501 4.380 1.00 0.00 H new ATOM 0 HG LEU A 106 11.630 2.767 5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.169 2.756 4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.746 4.058 5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.225 4.434 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.557 1.946 3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.736 3.572 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.180 2.614 2.709 1.00 0.00 H new ATOM 1667 N HIS A 107 13.333 7.685 5.444 1.00 0.00 N ATOM 1668 CA HIS A 107 14.401 8.650 5.806 1.00 0.00 C ATOM 1669 C HIS A 107 14.111 9.287 7.191 1.00 0.00 C ATOM 1670 O HIS A 107 14.996 9.902 7.795 1.00 0.00 O ATOM 1671 CB HIS A 107 14.515 9.740 4.695 1.00 0.00 C ATOM 1672 CG HIS A 107 15.607 10.770 4.892 1.00 0.00 C ATOM 1673 ND1 HIS A 107 16.906 10.586 4.464 1.00 0.00 N ATOM 1674 CD2 HIS A 107 15.585 11.993 5.474 1.00 0.00 C ATOM 1675 CE1 HIS A 107 17.626 11.647 4.778 1.00 0.00 C ATOM 1676 NE2 HIS A 107 16.849 12.514 5.388 1.00 0.00 N ATOM 0 H HIS A 107 12.714 8.025 4.708 1.00 0.00 H new ATOM 0 HA HIS A 107 15.354 8.126 5.878 1.00 0.00 H new ATOM 0 HB2 HIS A 107 14.679 9.242 3.739 1.00 0.00 H new ATOM 0 HB3 HIS A 107 13.560 10.260 4.623 1.00 0.00 H new ATOM 0 HD2 HIS A 107 14.727 12.470 5.924 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.677 11.780 4.569 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.140 13.426 5.740 1.00 0.00 H new ATOM 1685 N ALA A 108 12.831 9.173 7.626 1.00 0.00 N ATOM 1686 CA ALA A 108 12.305 9.629 8.938 1.00 0.00 C ATOM 1687 C ALA A 108 12.007 11.140 8.964 1.00 0.00 C ATOM 1688 O ALA A 108 11.438 11.646 9.936 1.00 0.00 O ATOM 1689 CB ALA A 108 13.203 9.196 10.120 1.00 0.00 C ATOM 0 H ALA A 108 12.108 8.744 7.049 1.00 0.00 H new ATOM 0 HA ALA A 108 11.349 9.121 9.070 1.00 0.00 H new ATOM 0 HB1 ALA A 108 12.772 9.555 11.055 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.271 8.108 10.146 1.00 0.00 H new ATOM 0 HB3 ALA A 108 14.200 9.619 9.994 1.00 0.00 H new ATOM 1727 N GLY A 111 11.200 14.397 2.524 1.00 0.00 N ATOM 1728 CA GLY A 111 12.198 14.375 1.458 1.00 0.00 C ATOM 1729 C GLY A 111 11.531 14.293 0.099 1.00 0.00 C ATOM 1730 O GLY A 111 11.336 13.200 -0.440 1.00 0.00 O ATOM 0 HA2 GLY A 111 12.815 15.272 1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 111 12.863 13.522 1.594 1.00 0.00 H new ATOM 1734 N GLU A 112 11.128 15.463 -0.418 1.00 0.00 N ATOM 1735 CA GLU A 112 10.550 15.612 -1.772 1.00 0.00 C ATOM 1736 C GLU A 112 11.688 15.572 -2.838 1.00 0.00 C ATOM 1737 O GLU A 112 12.870 15.572 -2.464 1.00 0.00 O ATOM 1738 CB GLU A 112 9.761 16.956 -1.842 1.00 0.00 C ATOM 1739 CG GLU A 112 10.633 18.221 -1.707 1.00 0.00 C ATOM 1740 CD GLU A 112 9.847 19.526 -1.891 1.00 0.00 C ATOM 1741 OE1 GLU A 112 9.698 19.984 -3.043 1.00 0.00 O ATOM 1742 OE2 GLU A 112 9.373 20.097 -0.887 1.00 0.00 O ATOM 0 H GLU A 112 11.193 16.344 0.093 1.00 0.00 H new ATOM 0 HA GLU A 112 9.864 14.791 -1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.226 16.999 -2.791 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.010 16.963 -1.052 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.104 18.225 -0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.434 18.181 -2.445 1.00 0.00 H new ATOM 1749 N PRO A 113 11.380 15.527 -4.181 1.00 0.00 N ATOM 1750 CA PRO A 113 12.413 15.650 -5.247 1.00 0.00 C ATOM 1751 C PRO A 113 12.888 17.109 -5.460 1.00 0.00 C ATOM 1752 O PRO A 113 12.972 17.597 -6.600 1.00 0.00 O ATOM 1753 CB PRO A 113 11.682 15.080 -6.490 1.00 0.00 C ATOM 1754 CG PRO A 113 10.255 15.455 -6.266 1.00 0.00 C ATOM 1755 CD PRO A 113 10.029 15.281 -4.778 1.00 0.00 C ATOM 0 HA PRO A 113 13.336 15.122 -5.007 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.069 15.510 -7.414 1.00 0.00 H new ATOM 0 HB3 PRO A 113 11.805 14.000 -6.566 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.064 16.482 -6.576 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.585 14.818 -6.843 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.290 15.988 -4.400 1.00 0.00 H new ATOM 0 HD3 PRO A 113 9.664 14.281 -4.543 1.00 0.00 H new ATOM 1763 N VAL A 114 13.227 17.791 -4.349 1.00 0.00 N ATOM 1764 CA VAL A 114 13.799 19.136 -4.381 1.00 0.00 C ATOM 1765 C VAL A 114 15.239 19.050 -4.916 1.00 0.00 C ATOM 1766 O VAL A 114 16.030 18.207 -4.479 1.00 0.00 O ATOM 1767 CB VAL A 114 13.754 19.844 -2.969 1.00 0.00 C ATOM 1768 CG1 VAL A 114 14.544 19.065 -1.886 1.00 0.00 C ATOM 1769 CG2 VAL A 114 14.218 21.319 -3.065 1.00 0.00 C ATOM 0 H VAL A 114 13.109 17.418 -3.407 1.00 0.00 H new ATOM 0 HA VAL A 114 13.195 19.754 -5.045 1.00 0.00 H new ATOM 0 HB VAL A 114 12.712 19.842 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 114 14.480 19.596 -0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 114 14.120 18.067 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 114 15.589 18.983 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 114 14.176 21.779 -2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 114 15.241 21.355 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 114 13.564 21.863 -3.747 1.00 0.00 H new ATOM 1779 N ASP A 115 15.551 19.890 -5.901 1.00 0.00 N ATOM 1780 CA ASP A 115 16.843 19.862 -6.605 1.00 0.00 C ATOM 1781 C ASP A 115 17.748 21.011 -6.140 1.00 0.00 C ATOM 1782 O ASP A 115 18.614 21.441 -6.892 1.00 0.00 O ATOM 1783 CB ASP A 115 16.593 19.911 -8.143 1.00 0.00 C ATOM 1784 CG ASP A 115 16.052 21.263 -8.653 1.00 0.00 C ATOM 1785 OD1 ASP A 115 14.944 21.672 -8.239 1.00 0.00 O ATOM 1786 OD2 ASP A 115 16.729 21.923 -9.469 1.00 0.00 O ATOM 0 H ASP A 115 14.916 20.614 -6.239 1.00 0.00 H new ATOM 0 HA ASP A 115 17.364 18.935 -6.367 1.00 0.00 H new ATOM 0 HB2 ASP A 115 17.527 19.688 -8.659 1.00 0.00 H new ATOM 0 HB3 ASP A 115 15.886 19.125 -8.410 1.00 0.00 H new ATOM 1791 N LEU A 116 17.585 21.443 -4.860 1.00 0.00 N ATOM 1792 CA LEU A 116 18.320 22.598 -4.278 1.00 0.00 C ATOM 1793 C LEU A 116 19.850 22.442 -4.403 1.00 0.00 C ATOM 1794 O LEU A 116 20.573 23.430 -4.521 1.00 0.00 O ATOM 1795 CB LEU A 116 17.878 22.842 -2.791 1.00 0.00 C ATOM 1796 CG LEU A 116 18.075 21.671 -1.745 1.00 0.00 C ATOM 1797 CD1 LEU A 116 19.524 21.575 -1.200 1.00 0.00 C ATOM 1798 CD2 LEU A 116 17.079 21.790 -0.569 1.00 0.00 C ATOM 0 H LEU A 116 16.941 21.000 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 116 18.056 23.482 -4.859 1.00 0.00 H new ATOM 0 HB2 LEU A 116 18.421 23.712 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 116 16.821 23.106 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 116 17.874 20.751 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 116 19.591 20.752 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 116 20.212 21.397 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 116 19.788 22.508 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 116 17.242 20.970 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 116 17.233 22.740 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 116 16.059 21.744 -0.950 1.00 0.00 H new ATOM 1810 N GLU A 117 20.320 21.183 -4.380 1.00 0.00 N ATOM 1811 CA GLU A 117 21.746 20.849 -4.488 1.00 0.00 C ATOM 1812 C GLU A 117 22.206 20.885 -5.957 1.00 0.00 C ATOM 1813 O GLU A 117 23.326 21.296 -6.244 1.00 0.00 O ATOM 1814 CB GLU A 117 21.999 19.447 -3.859 1.00 0.00 C ATOM 1815 CG GLU A 117 23.487 19.045 -3.736 1.00 0.00 C ATOM 1816 CD GLU A 117 23.702 17.690 -3.033 1.00 0.00 C ATOM 1817 OE1 GLU A 117 23.504 17.607 -1.804 1.00 0.00 O ATOM 1818 OE2 GLU A 117 24.089 16.704 -3.696 1.00 0.00 O ATOM 0 H GLU A 117 19.716 20.366 -4.285 1.00 0.00 H new ATOM 0 HA GLU A 117 22.329 21.592 -3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 117 21.549 19.424 -2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 117 21.484 18.697 -4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 117 23.927 19.002 -4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 117 24.020 19.820 -3.185 1.00 0.00 H new ATOM 1825 N ARG A 118 21.291 20.519 -6.880 1.00 0.00 N ATOM 1826 CA ARG A 118 21.602 20.258 -8.311 1.00 0.00 C ATOM 1827 C ARG A 118 22.062 21.536 -9.054 1.00 0.00 C ATOM 1828 O ARG A 118 22.701 21.447 -10.111 1.00 0.00 O ATOM 1829 CB ARG A 118 20.359 19.587 -8.993 1.00 0.00 C ATOM 1830 CG ARG A 118 20.606 18.856 -10.354 1.00 0.00 C ATOM 1831 CD ARG A 118 20.415 19.749 -11.598 1.00 0.00 C ATOM 1832 NE ARG A 118 19.012 20.186 -11.775 1.00 0.00 N ATOM 1833 CZ ARG A 118 18.524 20.775 -12.882 1.00 0.00 C ATOM 1834 NH1 ARG A 118 19.320 21.093 -13.896 1.00 0.00 N ATOM 1835 NH2 ARG A 118 17.239 21.078 -12.954 1.00 0.00 N ATOM 0 H ARG A 118 20.304 20.394 -6.655 1.00 0.00 H new ATOM 0 HA ARG A 118 22.446 19.571 -8.368 1.00 0.00 H new ATOM 0 HB2 ARG A 118 19.936 18.866 -8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 118 19.604 20.356 -9.154 1.00 0.00 H new ATOM 0 HG2 ARG A 118 21.620 18.457 -10.360 1.00 0.00 H new ATOM 0 HG3 ARG A 118 19.928 18.005 -10.424 1.00 0.00 H new ATOM 0 HD2 ARG A 118 21.057 20.626 -11.513 1.00 0.00 H new ATOM 0 HD3 ARG A 118 20.736 19.203 -12.485 1.00 0.00 H new ATOM 0 HE ARG A 118 18.367 20.029 -11.000 1.00 0.00 H new ATOM 0 HH11 ARG A 118 20.318 20.891 -13.843 1.00 0.00 H new ATOM 0 HH12 ARG A 118 18.933 21.539 -14.728 1.00 0.00 H new ATOM 0 HH21 ARG A 118 16.620 20.865 -12.172 1.00 0.00 H new ATOM 0 HH22 ARG A 118 16.866 21.525 -13.792 1.00 0.00 H new ATOM 1849 N ILE A 119 21.762 22.716 -8.480 1.00 0.00 N ATOM 1850 CA ILE A 119 22.217 24.006 -9.021 1.00 0.00 C ATOM 1851 C ILE A 119 23.751 24.106 -8.882 1.00 0.00 C ATOM 1852 O ILE A 119 24.456 24.362 -9.868 1.00 0.00 O ATOM 1853 CB ILE A 119 21.503 25.241 -8.324 1.00 0.00 C ATOM 1854 CG1 ILE A 119 19.955 25.269 -8.621 1.00 0.00 C ATOM 1855 CG2 ILE A 119 22.152 26.586 -8.745 1.00 0.00 C ATOM 1856 CD1 ILE A 119 19.108 24.324 -7.798 1.00 0.00 C ATOM 0 H ILE A 119 21.200 22.800 -7.633 1.00 0.00 H new ATOM 0 HA ILE A 119 21.941 24.046 -10.075 1.00 0.00 H new ATOM 0 HB ILE A 119 21.639 25.113 -7.250 1.00 0.00 H new ATOM 0 HG12 ILE A 119 19.592 26.284 -8.461 1.00 0.00 H new ATOM 0 HG13 ILE A 119 19.803 25.038 -9.675 1.00 0.00 H new ATOM 0 HG21 ILE A 119 21.638 27.409 -8.249 1.00 0.00 H new ATOM 0 HG22 ILE A 119 23.203 26.589 -8.457 1.00 0.00 H new ATOM 0 HG23 ILE A 119 22.071 26.706 -9.825 1.00 0.00 H new ATOM 0 HD11 ILE A 119 18.062 24.428 -8.086 1.00 0.00 H new ATOM 0 HD12 ILE A 119 19.432 23.298 -7.973 1.00 0.00 H new ATOM 0 HD13 ILE A 119 19.219 24.564 -6.740 1.00 0.00 H new ATOM 1868 N ILE A 120 24.260 23.884 -7.649 1.00 0.00 N ATOM 1869 CA ILE A 120 25.706 23.898 -7.348 1.00 0.00 C ATOM 1870 C ILE A 120 26.065 22.674 -6.481 1.00 0.00 C ATOM 1871 O ILE A 120 25.834 22.667 -5.263 1.00 0.00 O ATOM 1872 CB ILE A 120 26.159 25.228 -6.619 1.00 0.00 C ATOM 1873 CG1 ILE A 120 25.915 26.491 -7.514 1.00 0.00 C ATOM 1874 CG2 ILE A 120 27.645 25.151 -6.172 1.00 0.00 C ATOM 1875 CD1 ILE A 120 26.789 26.581 -8.767 1.00 0.00 C ATOM 0 H ILE A 120 23.677 23.690 -6.835 1.00 0.00 H new ATOM 0 HA ILE A 120 26.239 23.855 -8.298 1.00 0.00 H new ATOM 0 HB ILE A 120 25.542 25.329 -5.726 1.00 0.00 H new ATOM 0 HG12 ILE A 120 24.869 26.504 -7.819 1.00 0.00 H new ATOM 0 HG13 ILE A 120 26.082 27.383 -6.909 1.00 0.00 H new ATOM 0 HG21 ILE A 120 27.924 26.080 -5.675 1.00 0.00 H new ATOM 0 HG22 ILE A 120 27.775 24.317 -5.482 1.00 0.00 H new ATOM 0 HG23 ILE A 120 28.280 25.002 -7.045 1.00 0.00 H new ATOM 0 HD11 ILE A 120 26.544 27.489 -9.317 1.00 0.00 H new ATOM 0 HD12 ILE A 120 27.839 26.605 -8.477 1.00 0.00 H new ATOM 0 HD13 ILE A 120 26.607 25.713 -9.400 1.00 0.00 H new ATOM 1887 N ARG A 121 26.554 21.613 -7.140 1.00 0.00 N ATOM 1888 CA ARG A 121 27.168 20.447 -6.472 1.00 0.00 C ATOM 1889 C ARG A 121 28.695 20.561 -6.599 1.00 0.00 C ATOM 1890 O ARG A 121 29.448 20.356 -5.637 1.00 0.00 O ATOM 1891 CB ARG A 121 26.693 19.113 -7.118 1.00 0.00 C ATOM 1892 CG ARG A 121 25.169 18.981 -7.311 1.00 0.00 C ATOM 1893 CD ARG A 121 24.740 17.551 -7.677 1.00 0.00 C ATOM 1894 NE ARG A 121 24.979 16.623 -6.557 1.00 0.00 N ATOM 1895 CZ ARG A 121 25.264 15.320 -6.658 1.00 0.00 C ATOM 1896 NH1 ARG A 121 25.421 14.735 -7.840 1.00 0.00 N ATOM 1897 NH2 ARG A 121 25.402 14.612 -5.548 1.00 0.00 N ATOM 0 H ARG A 121 26.536 21.536 -8.157 1.00 0.00 H new ATOM 0 HA ARG A 121 26.867 20.440 -5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 121 27.176 19.006 -8.089 1.00 0.00 H new ATOM 0 HB3 ARG A 121 27.037 18.285 -6.498 1.00 0.00 H new ATOM 0 HG2 ARG A 121 24.663 19.285 -6.395 1.00 0.00 H new ATOM 0 HG3 ARG A 121 24.845 19.665 -8.095 1.00 0.00 H new ATOM 0 HD2 ARG A 121 23.683 17.542 -7.942 1.00 0.00 H new ATOM 0 HD3 ARG A 121 25.292 17.216 -8.555 1.00 0.00 H new ATOM 0 HE ARG A 121 24.922 17.011 -5.616 1.00 0.00 H new ATOM 0 HH11 ARG A 121 25.325 15.281 -8.696 1.00 0.00 H new ATOM 0 HH12 ARG A 121 25.638 13.740 -7.892 1.00 0.00 H new ATOM 0 HH21 ARG A 121 25.291 15.062 -4.639 1.00 0.00 H new ATOM 0 HH22 ARG A 121 25.619 13.617 -5.602 1.00 0.00 H new