USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 811 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 98 TYR OH : rot -23:sc= 0.316 USER MOD Set 1.2: A 100 MET CE :methyl 140:sc= -2.01 (180deg=-2.68!) USER MOD Set 2.1: A 72 SER OG : rot -119:sc= 0.392 USER MOD Set 2.2: A 94 TYR OH : rot -156:sc= 1.34 USER MOD Single : A 13 ASN : amide:sc= -0.0101 X(o=-0.01,f=-0.42) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.745 K(o=-0.74,f=-0.16) USER MOD Single : A 38 ASN : amide:sc= -2.26 K(o=-2.3,f=-4.1!) USER MOD Single : A 41 GLN : amide:sc= -10.7! C(o=-11!,f=-9.9!) USER MOD Single : A 42 TYR OH : rot 56:sc= -2.19 USER MOD Single : A 43 ASN : amide:sc= -7.87! C(o=-7.9!,f=-19!) USER MOD Single : A 50 THR OG1 : rot -120:sc= 0.221 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.639 K(o=-0.64,f=-0.0096) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 108:sc= -0.0683 USER MOD Single : A 70 THR OG1 : rot 133:sc= 0.546 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0447) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.31) USER MOD Single : A 89 ASN : amide:sc=-0.00786 K(o=-0.0079,f=-2!) USER MOD Single : A 90 THR OG1 : rot -110:sc= -0.331 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 101 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 103 THR OG1 : rot 13:sc= 0.262 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -102:sc= -0.607 (180deg=-2.67!) USER MOD Single : A 108 HIS : no HD1:sc= -0.726 K(o=-0.73,f=-0.21) USER MOD Single : A 109 MET CE :methyl -158:sc= -1.01 (180deg=-1.82!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 6:sc= 0.408 USER MOD Single : A 118 TYR OH : rot -140:sc= -3.09! USER MOD Single : A 123 LYS NZ :NH3+ 152:sc= -0.117 (180deg=-1.56) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 10 13.311 3.556 1.241 1.00 0.00 N ATOM 132 CA ASP A 10 12.984 4.748 0.408 1.00 0.00 C ATOM 133 C ASP A 10 12.012 4.275 -0.672 1.00 0.00 C ATOM 134 O ASP A 10 12.404 3.946 -1.772 1.00 0.00 O ATOM 135 CB ASP A 10 14.256 5.303 -0.240 1.00 0.00 C ATOM 136 CG ASP A 10 14.750 6.510 0.560 1.00 0.00 C ATOM 137 OD1 ASP A 10 14.848 6.393 1.771 1.00 0.00 O ATOM 138 OD2 ASP A 10 15.022 7.530 -0.051 1.00 0.00 O ATOM 0 HA ASP A 10 12.545 5.541 1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.027 4.533 -0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.055 5.594 -1.271 1.00 0.00 H new ATOM 143 N ILE A 11 10.750 4.195 -0.350 1.00 0.00 N ATOM 144 CA ILE A 11 9.766 3.694 -1.336 1.00 0.00 C ATOM 145 C ILE A 11 9.359 4.801 -2.295 1.00 0.00 C ATOM 146 O ILE A 11 9.639 4.740 -3.462 1.00 0.00 O ATOM 147 CB ILE A 11 8.516 3.187 -0.634 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.835 2.604 0.738 1.00 0.00 C ATOM 149 CG2 ILE A 11 7.874 2.096 -1.478 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.845 1.484 0.572 1.00 0.00 C ATOM 0 H ILE A 11 10.362 4.457 0.556 1.00 0.00 H new ATOM 0 HA ILE A 11 10.238 2.880 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 11 7.842 4.034 -0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.235 3.378 1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.927 2.226 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.977 1.730 -0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.606 2.501 -2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.578 1.274 -1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.081 1.059 1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.426 0.709 -0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.754 1.878 0.119 1.00 0.00 H new ATOM 162 N GLU A 12 8.673 5.801 -1.821 1.00 0.00 N ATOM 163 CA GLU A 12 8.214 6.890 -2.734 1.00 0.00 C ATOM 164 C GLU A 12 9.329 7.317 -3.707 1.00 0.00 C ATOM 165 O GLU A 12 9.062 7.812 -4.785 1.00 0.00 O ATOM 166 CB GLU A 12 7.765 8.098 -1.911 1.00 0.00 C ATOM 167 CG GLU A 12 8.849 8.459 -0.892 1.00 0.00 C ATOM 168 CD GLU A 12 9.533 9.761 -1.315 1.00 0.00 C ATOM 169 OE1 GLU A 12 10.020 9.816 -2.432 1.00 0.00 O ATOM 170 OE2 GLU A 12 9.558 10.681 -0.514 1.00 0.00 O ATOM 0 H GLU A 12 8.409 5.914 -0.842 1.00 0.00 H new ATOM 0 HA GLU A 12 7.379 6.507 -3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.572 8.946 -2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.830 7.873 -1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.409 8.572 0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.582 7.655 -0.825 1.00 0.00 H new ATOM 177 N ASN A 13 10.571 7.126 -3.346 1.00 0.00 N ATOM 178 CA ASN A 13 11.679 7.515 -4.266 1.00 0.00 C ATOM 179 C ASN A 13 11.910 6.398 -5.292 1.00 0.00 C ATOM 180 O ASN A 13 12.014 6.647 -6.478 1.00 0.00 O ATOM 181 CB ASN A 13 12.958 7.731 -3.460 1.00 0.00 C ATOM 182 CG ASN A 13 13.984 8.470 -4.322 1.00 0.00 C ATOM 183 OD1 ASN A 13 13.669 9.467 -4.940 1.00 0.00 O ATOM 184 ND2 ASN A 13 15.208 8.021 -4.389 1.00 0.00 N ATOM 0 H ASN A 13 10.865 6.719 -2.458 1.00 0.00 H new ATOM 0 HA ASN A 13 11.412 8.437 -4.783 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.741 8.306 -2.560 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.363 6.772 -3.135 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.899 8.507 -4.960 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.473 7.184 -3.870 1.00 0.00 H new ATOM 191 N THR A 14 11.974 5.169 -4.849 1.00 0.00 N ATOM 192 CA THR A 14 12.180 4.039 -5.799 1.00 0.00 C ATOM 193 C THR A 14 10.924 3.942 -6.671 1.00 0.00 C ATOM 194 O THR A 14 10.978 4.046 -7.879 1.00 0.00 O ATOM 195 CB THR A 14 12.415 2.744 -4.979 1.00 0.00 C ATOM 196 OG1 THR A 14 13.806 2.603 -4.730 1.00 0.00 O ATOM 197 CG2 THR A 14 11.915 1.500 -5.729 1.00 0.00 C ATOM 0 H THR A 14 11.892 4.900 -3.868 1.00 0.00 H new ATOM 0 HA THR A 14 13.048 4.190 -6.441 1.00 0.00 H new ATOM 0 HB THR A 14 11.858 2.826 -4.046 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.964 1.787 -4.210 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.097 0.612 -5.123 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.846 1.596 -5.921 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.447 1.408 -6.676 1.00 0.00 H new ATOM 205 N LEU A 15 9.802 3.755 -6.032 1.00 0.00 N ATOM 206 CA LEU A 15 8.482 3.658 -6.739 1.00 0.00 C ATOM 207 C LEU A 15 8.431 4.665 -7.898 1.00 0.00 C ATOM 208 O LEU A 15 7.820 4.422 -8.918 1.00 0.00 O ATOM 209 CB LEU A 15 7.346 3.998 -5.759 1.00 0.00 C ATOM 210 CG LEU A 15 7.398 3.100 -4.520 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.475 3.670 -3.445 1.00 0.00 C ATOM 212 CD2 LEU A 15 6.934 1.688 -4.883 1.00 0.00 C ATOM 0 H LEU A 15 9.739 3.662 -5.018 1.00 0.00 H new ATOM 0 HA LEU A 15 8.366 2.644 -7.120 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.422 5.043 -5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.384 3.879 -6.258 1.00 0.00 H new ATOM 0 HG LEU A 15 8.422 3.060 -4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.509 3.033 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.802 4.676 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.454 3.708 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.973 1.053 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.911 1.726 -5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.587 1.277 -5.653 1.00 0.00 H new ATOM 224 N ALA A 16 9.076 5.792 -7.741 1.00 0.00 N ATOM 225 CA ALA A 16 9.068 6.808 -8.831 1.00 0.00 C ATOM 226 C ALA A 16 9.850 6.266 -10.028 1.00 0.00 C ATOM 227 O ALA A 16 9.339 6.172 -11.125 1.00 0.00 O ATOM 228 CB ALA A 16 9.724 8.099 -8.335 1.00 0.00 C ATOM 0 H ALA A 16 9.605 6.050 -6.908 1.00 0.00 H new ATOM 0 HA ALA A 16 8.040 7.018 -9.127 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.717 8.841 -9.134 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.170 8.483 -7.478 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.753 7.894 -8.039 1.00 0.00 H new ATOM 340 N ASP A 24 10.190 -4.808 -5.342 1.00 0.00 N ATOM 341 CA ASP A 24 9.088 -5.778 -5.066 1.00 0.00 C ATOM 342 C ASP A 24 9.560 -6.810 -4.029 1.00 0.00 C ATOM 343 O ASP A 24 8.793 -7.633 -3.576 1.00 0.00 O ATOM 344 CB ASP A 24 8.710 -6.496 -6.364 1.00 0.00 C ATOM 345 CG ASP A 24 7.755 -5.615 -7.172 1.00 0.00 C ATOM 346 OD1 ASP A 24 7.765 -4.413 -6.960 1.00 0.00 O ATOM 347 OD2 ASP A 24 7.028 -6.157 -7.988 1.00 0.00 O ATOM 0 HA ASP A 24 8.221 -5.244 -4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.605 -6.711 -6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.238 -7.452 -6.139 1.00 0.00 H new ATOM 352 N GLY A 25 10.815 -6.783 -3.654 1.00 0.00 N ATOM 353 CA GLY A 25 11.316 -7.771 -2.656 1.00 0.00 C ATOM 354 C GLY A 25 11.398 -7.131 -1.266 1.00 0.00 C ATOM 355 O GLY A 25 12.181 -7.548 -0.435 1.00 0.00 O ATOM 0 H GLY A 25 11.511 -6.120 -3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.653 -8.636 -2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.300 -8.133 -2.955 1.00 0.00 H new ATOM 359 N LEU A 26 10.594 -6.135 -0.991 1.00 0.00 N ATOM 360 CA LEU A 26 10.637 -5.506 0.350 1.00 0.00 C ATOM 361 C LEU A 26 9.946 -6.435 1.340 1.00 0.00 C ATOM 362 O LEU A 26 9.508 -7.518 1.004 1.00 0.00 O ATOM 363 CB LEU A 26 9.872 -4.172 0.341 1.00 0.00 C ATOM 364 CG LEU A 26 10.453 -3.201 -0.689 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.315 -2.367 -1.293 1.00 0.00 C ATOM 366 CD2 LEU A 26 11.447 -2.261 -0.003 1.00 0.00 C ATOM 0 H LEU A 26 9.915 -5.736 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 26 11.676 -5.329 0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.821 -4.355 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.913 -3.721 1.332 1.00 0.00 H new ATOM 0 HG LEU A 26 10.961 -3.764 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.723 -1.673 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.597 -3.028 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.816 -1.806 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.860 -1.570 -0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.936 -1.698 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.254 -2.845 0.440 1.00 0.00 H new ATOM 378 N ALA A 27 9.809 -5.990 2.548 1.00 0.00 N ATOM 379 CA ALA A 27 9.101 -6.805 3.578 1.00 0.00 C ATOM 380 C ALA A 27 7.654 -6.301 3.675 1.00 0.00 C ATOM 381 O ALA A 27 6.934 -6.583 4.622 1.00 0.00 O ATOM 382 CB ALA A 27 9.792 -6.644 4.934 1.00 0.00 C ATOM 0 H ALA A 27 10.158 -5.089 2.876 1.00 0.00 H new ATOM 0 HA ALA A 27 9.119 -7.859 3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.270 -7.242 5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.826 -6.980 4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.773 -5.595 5.230 1.00 0.00 H new ATOM 388 N PHE A 28 7.229 -5.552 2.690 1.00 0.00 N ATOM 389 CA PHE A 28 5.848 -5.009 2.683 1.00 0.00 C ATOM 390 C PHE A 28 5.415 -4.830 1.234 1.00 0.00 C ATOM 391 O PHE A 28 6.112 -5.210 0.314 1.00 0.00 O ATOM 392 CB PHE A 28 5.811 -3.642 3.392 1.00 0.00 C ATOM 393 CG PHE A 28 7.035 -2.841 3.028 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.260 -3.162 3.607 1.00 0.00 C ATOM 395 CD2 PHE A 28 6.948 -1.798 2.104 1.00 0.00 C ATOM 396 CE1 PHE A 28 9.409 -2.442 3.269 1.00 0.00 C ATOM 397 CE2 PHE A 28 8.098 -1.079 1.756 1.00 0.00 C ATOM 398 CZ PHE A 28 9.329 -1.404 2.341 1.00 0.00 C ATOM 0 H PHE A 28 7.793 -5.293 1.881 1.00 0.00 H new ATOM 0 HA PHE A 28 5.180 -5.695 3.205 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.911 -3.098 3.105 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.767 -3.784 4.472 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.322 -3.971 4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.997 -1.547 1.659 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.356 -2.689 3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.036 -0.275 1.038 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.217 -0.850 2.073 1.00 0.00 H new ATOM 408 N GLY A 29 4.279 -4.248 1.023 1.00 0.00 N ATOM 409 CA GLY A 29 3.804 -4.034 -0.366 1.00 0.00 C ATOM 410 C GLY A 29 3.799 -2.539 -0.652 1.00 0.00 C ATOM 411 O GLY A 29 3.373 -1.768 0.172 1.00 0.00 O ATOM 0 H GLY A 29 3.654 -3.908 1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.453 -4.552 -1.072 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.803 -4.447 -0.491 1.00 0.00 H new ATOM 415 N ALA A 30 4.247 -2.103 -1.804 1.00 0.00 N ATOM 416 CA ALA A 30 4.221 -0.636 -2.067 1.00 0.00 C ATOM 417 C ALA A 30 3.153 -0.372 -3.115 1.00 0.00 C ATOM 418 O ALA A 30 3.407 -0.408 -4.294 1.00 0.00 O ATOM 419 CB ALA A 30 5.594 -0.161 -2.559 1.00 0.00 C ATOM 0 H ALA A 30 4.620 -2.684 -2.555 1.00 0.00 H new ATOM 0 HA ALA A 30 3.991 -0.088 -1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.562 0.912 -2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.346 -0.374 -1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.851 -0.684 -3.480 1.00 0.00 H new ATOM 425 N ILE A 31 1.942 -0.148 -2.690 1.00 0.00 N ATOM 426 CA ILE A 31 0.846 0.073 -3.673 1.00 0.00 C ATOM 427 C ILE A 31 0.568 1.569 -3.823 1.00 0.00 C ATOM 428 O ILE A 31 0.721 2.338 -2.900 1.00 0.00 O ATOM 429 CB ILE A 31 -0.420 -0.695 -3.221 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.242 0.099 -2.202 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.008 -2.004 -2.555 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.159 1.087 -2.927 1.00 0.00 C ATOM 0 H ILE A 31 1.664 -0.108 -1.709 1.00 0.00 H new ATOM 0 HA ILE A 31 1.147 -0.308 -4.649 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.025 -0.867 -4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.836 -0.581 -1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.577 0.636 -1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.898 -2.546 -2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.553 -2.613 -3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.617 -1.790 -1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.740 1.648 -2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.556 1.777 -3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.834 0.541 -3.585 1.00 0.00 H new ATOM 444 N GLN A 32 0.159 1.980 -4.986 1.00 0.00 N ATOM 445 CA GLN A 32 -0.137 3.418 -5.206 1.00 0.00 C ATOM 446 C GLN A 32 -1.603 3.559 -5.615 1.00 0.00 C ATOM 447 O GLN A 32 -2.249 2.595 -5.975 1.00 0.00 O ATOM 448 CB GLN A 32 0.770 3.958 -6.313 1.00 0.00 C ATOM 449 CG GLN A 32 1.896 4.787 -5.689 1.00 0.00 C ATOM 450 CD GLN A 32 2.996 5.016 -6.727 1.00 0.00 C ATOM 451 OE1 GLN A 32 2.918 5.937 -7.516 1.00 0.00 O ATOM 452 NE2 GLN A 32 4.022 4.212 -6.761 1.00 0.00 N ATOM 0 H GLN A 32 0.016 1.379 -5.798 1.00 0.00 H new ATOM 0 HA GLN A 32 0.044 3.985 -4.293 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.188 3.133 -6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.192 4.571 -7.005 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.507 5.743 -5.339 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.303 4.271 -4.820 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.087 3.439 -6.098 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.760 4.356 -7.450 1.00 0.00 H new ATOM 461 N LEU A 33 -2.139 4.743 -5.556 1.00 0.00 N ATOM 462 CA LEU A 33 -3.568 4.931 -5.933 1.00 0.00 C ATOM 463 C LEU A 33 -3.767 6.359 -6.442 1.00 0.00 C ATOM 464 O LEU A 33 -3.137 7.284 -5.967 1.00 0.00 O ATOM 465 CB LEU A 33 -4.457 4.729 -4.703 1.00 0.00 C ATOM 466 CG LEU A 33 -4.416 3.266 -4.252 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.172 3.121 -2.930 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.076 2.384 -5.315 1.00 0.00 C ATOM 0 H LEU A 33 -1.651 5.590 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.833 4.209 -6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.121 5.376 -3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.482 5.016 -4.936 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.380 2.957 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.144 2.080 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.703 3.749 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.208 3.431 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.046 1.343 -4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.113 2.692 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.540 2.488 -6.258 1.00 0.00 H new ATOM 480 N ASP A 34 -4.640 6.559 -7.390 1.00 0.00 N ATOM 481 CA ASP A 34 -4.865 7.944 -7.896 1.00 0.00 C ATOM 482 C ASP A 34 -6.346 8.317 -7.798 1.00 0.00 C ATOM 483 O ASP A 34 -7.202 7.600 -8.261 1.00 0.00 O ATOM 484 CB ASP A 34 -4.423 8.051 -9.351 1.00 0.00 C ATOM 485 CG ASP A 34 -2.976 8.547 -9.417 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.321 8.550 -8.387 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.548 8.920 -10.498 1.00 0.00 O ATOM 0 H ASP A 34 -5.203 5.833 -7.833 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.279 8.628 -7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.507 7.080 -9.839 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.077 8.736 -9.890 1.00 0.00 H new ATOM 492 N GLY A 35 -6.597 9.466 -7.219 1.00 0.00 N ATOM 493 CA GLY A 35 -7.970 10.050 -7.042 1.00 0.00 C ATOM 494 C GLY A 35 -9.041 9.009 -6.726 1.00 0.00 C ATOM 495 O GLY A 35 -9.492 8.878 -5.605 1.00 0.00 O ATOM 0 H GLY A 35 -5.860 10.059 -6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.942 10.786 -6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.249 10.582 -7.951 1.00 0.00 H new ATOM 499 N ASP A 36 -9.469 8.297 -7.717 1.00 0.00 N ATOM 500 CA ASP A 36 -10.544 7.277 -7.521 1.00 0.00 C ATOM 501 C ASP A 36 -10.021 6.069 -6.739 1.00 0.00 C ATOM 502 O ASP A 36 -10.748 5.134 -6.473 1.00 0.00 O ATOM 503 CB ASP A 36 -11.050 6.811 -8.887 1.00 0.00 C ATOM 504 CG ASP A 36 -11.990 7.867 -9.470 1.00 0.00 C ATOM 505 OD1 ASP A 36 -11.899 9.008 -9.050 1.00 0.00 O ATOM 506 OD2 ASP A 36 -12.785 7.517 -10.326 1.00 0.00 O ATOM 0 H ASP A 36 -9.120 8.372 -8.673 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.354 7.733 -6.951 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.209 6.645 -9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.572 5.859 -8.788 1.00 0.00 H new ATOM 511 N GLY A 37 -8.772 6.071 -6.371 1.00 0.00 N ATOM 512 CA GLY A 37 -8.223 4.919 -5.615 1.00 0.00 C ATOM 513 C GLY A 37 -7.801 3.824 -6.595 1.00 0.00 C ATOM 514 O GLY A 37 -7.622 2.683 -6.219 1.00 0.00 O ATOM 0 H GLY A 37 -8.109 6.822 -6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.369 5.236 -5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.972 4.534 -4.923 1.00 0.00 H new ATOM 518 N ASN A 38 -7.636 4.152 -7.852 1.00 0.00 N ATOM 519 CA ASN A 38 -7.221 3.107 -8.831 1.00 0.00 C ATOM 520 C ASN A 38 -5.746 2.776 -8.607 1.00 0.00 C ATOM 521 O ASN A 38 -4.912 3.653 -8.497 1.00 0.00 O ATOM 522 CB ASN A 38 -7.426 3.608 -10.260 1.00 0.00 C ATOM 523 CG ASN A 38 -6.710 4.946 -10.450 1.00 0.00 C ATOM 524 OD1 ASN A 38 -7.218 5.979 -10.064 1.00 0.00 O ATOM 525 ND2 ASN A 38 -5.544 4.970 -11.033 1.00 0.00 N ATOM 0 H ASN A 38 -7.769 5.087 -8.237 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.829 2.214 -8.686 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.042 2.876 -10.970 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.490 3.723 -10.465 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.058 5.857 -11.165 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.118 4.102 -11.357 1.00 0.00 H new ATOM 532 N ILE A 39 -5.421 1.518 -8.522 1.00 0.00 N ATOM 533 CA ILE A 39 -4.002 1.128 -8.282 1.00 0.00 C ATOM 534 C ILE A 39 -3.109 1.654 -9.414 1.00 0.00 C ATOM 535 O ILE A 39 -3.417 1.527 -10.583 1.00 0.00 O ATOM 536 CB ILE A 39 -3.917 -0.421 -8.149 1.00 0.00 C ATOM 537 CG1 ILE A 39 -3.320 -0.773 -6.783 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.045 -1.061 -9.245 1.00 0.00 C ATOM 539 CD1 ILE A 39 -4.447 -0.973 -5.767 1.00 0.00 C ATOM 0 H ILE A 39 -6.076 0.741 -8.608 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.642 1.574 -7.354 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.928 -0.813 -8.255 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.720 -1.680 -6.860 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.653 0.023 -6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.020 -2.142 -9.105 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.465 -0.831 -10.224 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.032 -0.663 -9.182 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.021 -1.223 -4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.028 -0.055 -5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.096 -1.784 -6.098 1.00 0.00 H new ATOM 551 N LEU A 40 -1.988 2.212 -9.058 1.00 0.00 N ATOM 552 CA LEU A 40 -1.034 2.721 -10.083 1.00 0.00 C ATOM 553 C LEU A 40 0.142 1.743 -10.156 1.00 0.00 C ATOM 554 O LEU A 40 0.807 1.616 -11.166 1.00 0.00 O ATOM 555 CB LEU A 40 -0.506 4.110 -9.686 1.00 0.00 C ATOM 556 CG LEU A 40 -1.541 4.876 -8.854 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.932 6.198 -8.390 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.775 5.166 -9.707 1.00 0.00 C ATOM 0 H LEU A 40 -1.688 2.339 -8.091 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.539 2.804 -11.046 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.416 4.002 -9.115 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.262 4.680 -10.583 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.829 4.275 -7.991 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.664 6.748 -7.798 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.049 5.999 -7.783 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.648 6.792 -9.258 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.509 5.711 -9.112 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.488 5.768 -10.569 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.210 4.227 -10.049 1.00 0.00 H new ATOM 570 N GLN A 41 0.397 1.055 -9.074 1.00 0.00 N ATOM 571 CA GLN A 41 1.521 0.076 -9.027 1.00 0.00 C ATOM 572 C GLN A 41 1.327 -0.773 -7.750 1.00 0.00 C ATOM 573 O GLN A 41 0.558 -0.411 -6.884 1.00 0.00 O ATOM 574 CB GLN A 41 2.848 0.876 -9.043 1.00 0.00 C ATOM 575 CG GLN A 41 3.965 0.164 -8.274 1.00 0.00 C ATOM 576 CD GLN A 41 3.899 0.533 -6.786 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.849 0.309 -6.063 1.00 0.00 O ATOM 578 NE2 GLN A 41 2.825 1.105 -6.293 1.00 0.00 N ATOM 0 H GLN A 41 -0.135 1.132 -8.207 1.00 0.00 H new ATOM 0 HA GLN A 41 1.546 -0.602 -9.880 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.163 1.033 -10.075 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.681 1.861 -8.608 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.869 -0.915 -8.394 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.935 0.445 -8.684 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.025 1.295 -6.897 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.790 1.360 -5.306 1.00 0.00 H new ATOM 587 N TYR A 42 1.968 -1.908 -7.633 1.00 0.00 N ATOM 588 CA TYR A 42 1.742 -2.756 -6.419 1.00 0.00 C ATOM 589 C TYR A 42 3.090 -3.285 -5.861 1.00 0.00 C ATOM 590 O TYR A 42 3.832 -2.536 -5.249 1.00 0.00 O ATOM 591 CB TYR A 42 0.785 -3.898 -6.822 1.00 0.00 C ATOM 592 CG TYR A 42 0.305 -4.681 -5.618 1.00 0.00 C ATOM 593 CD1 TYR A 42 -0.442 -4.057 -4.609 1.00 0.00 C ATOM 594 CD2 TYR A 42 0.592 -6.044 -5.524 1.00 0.00 C ATOM 595 CE1 TYR A 42 -0.898 -4.801 -3.508 1.00 0.00 C ATOM 596 CE2 TYR A 42 0.140 -6.782 -4.429 1.00 0.00 C ATOM 597 CZ TYR A 42 -0.604 -6.168 -3.420 1.00 0.00 C ATOM 598 OH TYR A 42 -1.039 -6.914 -2.336 1.00 0.00 O ATOM 0 H TYR A 42 2.629 -2.282 -8.314 1.00 0.00 H new ATOM 0 HA TYR A 42 1.291 -2.175 -5.615 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.073 -3.483 -7.351 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.292 -4.570 -7.514 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.667 -3.003 -4.678 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.165 -6.529 -6.301 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.474 -4.320 -2.731 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.367 -7.836 -4.362 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.012 -6.832 -2.252 1.00 0.00 H new ATOM 608 N ASN A 43 3.392 -4.567 -6.022 1.00 0.00 N ATOM 609 CA ASN A 43 4.673 -5.160 -5.475 1.00 0.00 C ATOM 610 C ASN A 43 4.462 -6.670 -5.326 1.00 0.00 C ATOM 611 O ASN A 43 3.375 -7.137 -5.049 1.00 0.00 O ATOM 612 CB ASN A 43 5.030 -4.517 -4.119 1.00 0.00 C ATOM 613 CG ASN A 43 6.127 -5.256 -3.355 1.00 0.00 C ATOM 614 OD1 ASN A 43 6.591 -6.295 -3.747 1.00 0.00 O ATOM 615 ND2 ASN A 43 6.564 -4.724 -2.248 1.00 0.00 N ATOM 0 H ASN A 43 2.797 -5.233 -6.515 1.00 0.00 H new ATOM 0 HA ASN A 43 5.503 -4.965 -6.154 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.348 -3.488 -4.288 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.134 -4.476 -3.500 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.299 -5.188 -1.714 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.171 -3.843 -1.915 1.00 0.00 H new ATOM 622 N ALA A 44 5.491 -7.428 -5.540 1.00 0.00 N ATOM 623 CA ALA A 44 5.386 -8.916 -5.453 1.00 0.00 C ATOM 624 C ALA A 44 5.187 -9.385 -4.003 1.00 0.00 C ATOM 625 O ALA A 44 4.278 -10.139 -3.717 1.00 0.00 O ATOM 626 CB ALA A 44 6.669 -9.537 -6.009 1.00 0.00 C ATOM 0 H ALA A 44 6.420 -7.080 -5.776 1.00 0.00 H new ATOM 0 HA ALA A 44 4.519 -9.233 -6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.603 -10.623 -5.950 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.797 -9.237 -7.049 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.522 -9.193 -5.425 1.00 0.00 H new ATOM 632 N ALA A 45 6.042 -8.972 -3.096 1.00 0.00 N ATOM 633 CA ALA A 45 5.923 -9.418 -1.663 1.00 0.00 C ATOM 634 C ALA A 45 4.465 -9.391 -1.198 1.00 0.00 C ATOM 635 O ALA A 45 3.939 -10.370 -0.709 1.00 0.00 O ATOM 636 CB ALA A 45 6.744 -8.485 -0.770 1.00 0.00 C ATOM 0 H ALA A 45 6.822 -8.342 -3.285 1.00 0.00 H new ATOM 0 HA ALA A 45 6.296 -10.440 -1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.659 -8.807 0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.790 -8.517 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.369 -7.466 -0.866 1.00 0.00 H new ATOM 642 N GLU A 46 3.819 -8.275 -1.340 1.00 0.00 N ATOM 643 CA GLU A 46 2.395 -8.176 -0.900 1.00 0.00 C ATOM 644 C GLU A 46 1.539 -9.118 -1.725 1.00 0.00 C ATOM 645 O GLU A 46 0.688 -9.812 -1.219 1.00 0.00 O ATOM 646 CB GLU A 46 1.869 -6.751 -1.075 1.00 0.00 C ATOM 647 CG GLU A 46 2.483 -6.061 -2.294 1.00 0.00 C ATOM 648 CD GLU A 46 1.772 -4.733 -2.525 1.00 0.00 C ATOM 649 OE1 GLU A 46 0.998 -4.331 -1.670 1.00 0.00 O ATOM 650 OE2 GLU A 46 2.047 -4.071 -3.687 1.00 0.00 O ATOM 0 H GLU A 46 4.210 -7.423 -1.741 1.00 0.00 H new ATOM 0 HA GLU A 46 2.345 -8.447 0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.784 -6.775 -1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.090 -6.170 -0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.548 -5.895 -2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.387 -6.697 -3.174 1.00 0.00 H new ATOM 658 N GLY A 47 1.758 -9.136 -2.994 1.00 0.00 N ATOM 659 CA GLY A 47 0.959 -10.035 -3.875 1.00 0.00 C ATOM 660 C GLY A 47 1.158 -11.489 -3.444 1.00 0.00 C ATOM 661 O GLY A 47 0.388 -12.356 -3.798 1.00 0.00 O ATOM 0 H GLY A 47 2.457 -8.568 -3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.097 -9.770 -3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.265 -9.908 -4.913 1.00 0.00 H new ATOM 665 N ASP A 48 2.180 -11.770 -2.681 1.00 0.00 N ATOM 666 CA ASP A 48 2.402 -13.172 -2.231 1.00 0.00 C ATOM 667 C ASP A 48 1.571 -13.426 -0.972 1.00 0.00 C ATOM 668 O ASP A 48 1.147 -14.532 -0.703 1.00 0.00 O ATOM 669 CB ASP A 48 3.885 -13.378 -1.913 1.00 0.00 C ATOM 670 CG ASP A 48 4.128 -14.841 -1.536 1.00 0.00 C ATOM 671 OD1 ASP A 48 3.867 -15.696 -2.365 1.00 0.00 O ATOM 672 OD2 ASP A 48 4.572 -15.080 -0.425 1.00 0.00 O ATOM 0 H ASP A 48 2.867 -11.092 -2.352 1.00 0.00 H new ATOM 0 HA ASP A 48 2.103 -13.864 -3.018 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.494 -13.108 -2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.186 -12.725 -1.094 1.00 0.00 H new ATOM 677 N ILE A 49 1.343 -12.402 -0.198 1.00 0.00 N ATOM 678 CA ILE A 49 0.554 -12.553 1.047 1.00 0.00 C ATOM 679 C ILE A 49 -0.946 -12.645 0.702 1.00 0.00 C ATOM 680 O ILE A 49 -1.645 -13.522 1.171 1.00 0.00 O ATOM 681 CB ILE A 49 0.888 -11.345 1.942 1.00 0.00 C ATOM 682 CG1 ILE A 49 1.826 -11.796 3.062 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.352 -10.690 2.562 1.00 0.00 C ATOM 684 CD1 ILE A 49 3.278 -11.594 2.622 1.00 0.00 C ATOM 0 H ILE A 49 1.676 -11.456 -0.381 1.00 0.00 H new ATOM 0 HA ILE A 49 0.802 -13.470 1.582 1.00 0.00 H new ATOM 0 HB ILE A 49 1.360 -10.597 1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.627 -11.226 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.649 -12.845 3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.047 -9.846 3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.013 -10.339 1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.879 -11.419 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.948 -11.915 3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.472 -12.183 1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.450 -10.539 2.407 1.00 0.00 H new ATOM 696 N THR A 50 -1.448 -11.740 -0.099 1.00 0.00 N ATOM 697 CA THR A 50 -2.907 -11.783 -0.446 1.00 0.00 C ATOM 698 C THR A 50 -3.112 -12.325 -1.866 1.00 0.00 C ATOM 699 O THR A 50 -4.231 -12.542 -2.289 1.00 0.00 O ATOM 700 CB THR A 50 -3.527 -10.373 -0.363 1.00 0.00 C ATOM 701 OG1 THR A 50 -3.386 -9.711 -1.612 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.841 -9.544 0.719 1.00 0.00 C ATOM 0 H THR A 50 -0.920 -10.979 -0.526 1.00 0.00 H new ATOM 0 HA THR A 50 -3.396 -12.443 0.271 1.00 0.00 H new ATOM 0 HB THR A 50 -4.583 -10.479 -0.114 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.864 -8.890 -1.490 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.294 -8.553 0.760 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.958 -10.037 1.684 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.780 -9.449 0.487 1.00 0.00 H new ATOM 710 N GLY A 51 -2.063 -12.530 -2.617 1.00 0.00 N ATOM 711 CA GLY A 51 -2.249 -13.035 -4.005 1.00 0.00 C ATOM 712 C GLY A 51 -2.598 -11.866 -4.943 1.00 0.00 C ATOM 713 O GLY A 51 -2.768 -12.049 -6.131 1.00 0.00 O ATOM 0 H GLY A 51 -1.096 -12.371 -2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.339 -13.529 -4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.044 -13.781 -4.027 1.00 0.00 H new ATOM 717 N ARG A 52 -2.724 -10.672 -4.407 1.00 0.00 N ATOM 718 CA ARG A 52 -3.077 -9.479 -5.240 1.00 0.00 C ATOM 719 C ARG A 52 -2.377 -9.482 -6.601 1.00 0.00 C ATOM 720 O ARG A 52 -3.023 -9.439 -7.629 1.00 0.00 O ATOM 721 CB ARG A 52 -2.705 -8.197 -4.484 1.00 0.00 C ATOM 722 CG ARG A 52 -3.977 -7.538 -3.945 1.00 0.00 C ATOM 723 CD ARG A 52 -3.990 -6.062 -4.349 1.00 0.00 C ATOM 724 NE ARG A 52 -4.119 -5.157 -3.161 1.00 0.00 N ATOM 725 CZ ARG A 52 -3.682 -3.924 -3.228 1.00 0.00 C ATOM 726 NH1 ARG A 52 -3.360 -3.386 -4.377 1.00 0.00 N ATOM 727 NH2 ARG A 52 -3.570 -3.228 -2.139 1.00 0.00 N ATOM 0 H ARG A 52 -2.595 -10.474 -3.415 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.151 -9.521 -5.423 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.027 -8.430 -3.663 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.179 -7.510 -5.147 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.858 -8.043 -4.341 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.017 -7.631 -2.860 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.072 -5.825 -4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.818 -5.881 -5.035 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.547 -5.501 -2.301 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.448 -3.928 -5.236 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.021 -2.425 -4.413 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.821 -3.642 -1.241 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.231 -2.267 -2.181 1.00 0.00 H new ATOM 741 N ASP A 53 -1.074 -9.493 -6.635 1.00 0.00 N ATOM 742 CA ASP A 53 -0.380 -9.453 -7.956 1.00 0.00 C ATOM 743 C ASP A 53 -0.653 -8.075 -8.582 1.00 0.00 C ATOM 744 O ASP A 53 -1.709 -7.515 -8.369 1.00 0.00 O ATOM 745 CB ASP A 53 -0.927 -10.556 -8.870 1.00 0.00 C ATOM 746 CG ASP A 53 0.236 -11.286 -9.545 1.00 0.00 C ATOM 747 OD1 ASP A 53 1.221 -11.539 -8.872 1.00 0.00 O ATOM 748 OD2 ASP A 53 0.121 -11.578 -10.724 1.00 0.00 O ATOM 0 H ASP A 53 -0.464 -9.527 -5.818 1.00 0.00 H new ATOM 0 HA ASP A 53 0.691 -9.614 -7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.524 -11.260 -8.290 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.586 -10.124 -9.624 1.00 0.00 H new ATOM 753 N PRO A 54 0.302 -7.550 -9.316 1.00 0.00 N ATOM 754 CA PRO A 54 0.164 -6.219 -9.943 1.00 0.00 C ATOM 755 C PRO A 54 -0.719 -6.266 -11.196 1.00 0.00 C ATOM 756 O PRO A 54 -1.797 -5.707 -11.225 1.00 0.00 O ATOM 757 CB PRO A 54 1.602 -5.847 -10.310 1.00 0.00 C ATOM 758 CG PRO A 54 2.390 -7.175 -10.403 1.00 0.00 C ATOM 759 CD PRO A 54 1.595 -8.216 -9.592 1.00 0.00 C ATOM 0 HA PRO A 54 -0.315 -5.498 -9.280 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.634 -5.310 -11.258 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.037 -5.190 -9.557 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.496 -7.491 -11.441 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.396 -7.057 -10.001 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.456 -9.138 -10.156 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.111 -8.481 -8.669 1.00 0.00 H new ATOM 767 N LYS A 55 -0.261 -6.906 -12.238 1.00 0.00 N ATOM 768 CA LYS A 55 -1.061 -6.964 -13.499 1.00 0.00 C ATOM 769 C LYS A 55 -2.512 -7.362 -13.208 1.00 0.00 C ATOM 770 O LYS A 55 -3.405 -7.066 -13.976 1.00 0.00 O ATOM 771 CB LYS A 55 -0.436 -7.988 -14.449 1.00 0.00 C ATOM 772 CG LYS A 55 -0.392 -7.413 -15.866 1.00 0.00 C ATOM 773 CD LYS A 55 -1.739 -7.641 -16.553 1.00 0.00 C ATOM 774 CE LYS A 55 -1.567 -7.530 -18.070 1.00 0.00 C ATOM 775 NZ LYS A 55 -2.596 -8.366 -18.749 1.00 0.00 N ATOM 0 H LYS A 55 0.635 -7.393 -12.272 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.058 -5.975 -13.958 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.571 -8.240 -14.117 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.016 -8.911 -14.438 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.166 -6.347 -15.830 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.405 -7.889 -16.438 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.130 -8.625 -16.292 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.465 -6.907 -16.205 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.664 -6.490 -18.383 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.568 -7.858 -18.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.479 -8.291 -19.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.483 -9.358 -18.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.545 -8.033 -18.483 1.00 0.00 H new ATOM 789 N GLN A 56 -2.764 -8.033 -12.117 1.00 0.00 N ATOM 790 CA GLN A 56 -4.166 -8.440 -11.816 1.00 0.00 C ATOM 791 C GLN A 56 -4.883 -7.327 -11.050 1.00 0.00 C ATOM 792 O GLN A 56 -6.006 -6.977 -11.358 1.00 0.00 O ATOM 793 CB GLN A 56 -4.161 -9.719 -10.976 1.00 0.00 C ATOM 794 CG GLN A 56 -5.271 -10.651 -11.466 1.00 0.00 C ATOM 795 CD GLN A 56 -6.385 -10.714 -10.419 1.00 0.00 C ATOM 796 OE1 GLN A 56 -6.941 -9.700 -10.042 1.00 0.00 O ATOM 797 NE2 GLN A 56 -6.736 -11.871 -9.930 1.00 0.00 N ATOM 0 H GLN A 56 -2.067 -8.315 -11.427 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.691 -8.622 -12.753 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.193 -10.215 -11.054 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.312 -9.477 -9.924 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.669 -10.292 -12.415 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.870 -11.648 -11.646 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.270 -12.721 -10.246 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.477 -11.926 -9.231 1.00 0.00 H new ATOM 806 N VAL A 57 -4.250 -6.762 -10.059 1.00 0.00 N ATOM 807 CA VAL A 57 -4.908 -5.669 -9.287 1.00 0.00 C ATOM 808 C VAL A 57 -4.868 -4.369 -10.084 1.00 0.00 C ATOM 809 O VAL A 57 -5.368 -3.353 -9.645 1.00 0.00 O ATOM 810 CB VAL A 57 -4.187 -5.475 -7.958 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.214 -6.791 -7.188 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.736 -5.056 -8.216 1.00 0.00 C ATOM 0 H VAL A 57 -3.309 -7.008 -9.751 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.947 -5.941 -9.101 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.682 -4.697 -7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.701 -6.665 -6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.248 -7.086 -7.008 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.713 -7.564 -7.771 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.223 -4.918 -7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.230 -5.831 -8.792 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.721 -4.121 -8.775 1.00 0.00 H new ATOM 822 N ILE A 58 -4.289 -4.384 -11.253 1.00 0.00 N ATOM 823 CA ILE A 58 -4.247 -3.143 -12.059 1.00 0.00 C ATOM 824 C ILE A 58 -5.664 -2.859 -12.557 1.00 0.00 C ATOM 825 O ILE A 58 -6.303 -3.692 -13.168 1.00 0.00 O ATOM 826 CB ILE A 58 -3.236 -3.329 -13.211 1.00 0.00 C ATOM 827 CG1 ILE A 58 -1.944 -2.626 -12.809 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.742 -2.720 -14.530 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.811 -3.059 -13.740 1.00 0.00 C ATOM 0 H ILE A 58 -3.847 -5.199 -11.679 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.914 -2.286 -11.474 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.087 -4.396 -13.377 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.076 -1.545 -12.859 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.692 -2.869 -11.777 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.998 -2.875 -15.311 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.676 -3.201 -14.818 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.911 -1.651 -14.396 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.111 -2.555 -13.450 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.673 -4.138 -13.668 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.062 -2.793 -14.767 1.00 0.00 H new ATOM 841 N GLY A 59 -6.159 -1.694 -12.275 1.00 0.00 N ATOM 842 CA GLY A 59 -7.542 -1.352 -12.703 1.00 0.00 C ATOM 843 C GLY A 59 -8.501 -1.605 -11.536 1.00 0.00 C ATOM 844 O GLY A 59 -9.595 -1.080 -11.494 1.00 0.00 O ATOM 0 H GLY A 59 -5.667 -0.960 -11.766 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.593 -0.308 -13.013 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.830 -1.955 -13.564 1.00 0.00 H new ATOM 848 N LYS A 60 -8.093 -2.404 -10.581 1.00 0.00 N ATOM 849 CA LYS A 60 -8.976 -2.687 -9.415 1.00 0.00 C ATOM 850 C LYS A 60 -8.908 -1.514 -8.439 1.00 0.00 C ATOM 851 O LYS A 60 -7.884 -0.876 -8.291 1.00 0.00 O ATOM 852 CB LYS A 60 -8.497 -3.958 -8.710 1.00 0.00 C ATOM 853 CG LYS A 60 -8.277 -5.061 -9.746 1.00 0.00 C ATOM 854 CD LYS A 60 -9.590 -5.343 -10.476 1.00 0.00 C ATOM 855 CE LYS A 60 -9.540 -6.739 -11.098 1.00 0.00 C ATOM 856 NZ LYS A 60 -10.707 -7.537 -10.623 1.00 0.00 N ATOM 0 H LYS A 60 -7.186 -2.871 -10.561 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.002 -2.824 -9.757 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.571 -3.761 -8.170 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.233 -4.278 -7.973 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.510 -4.758 -10.459 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.918 -5.967 -9.258 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.427 -5.273 -9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.756 -4.594 -11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.555 -6.665 -12.185 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.610 -7.237 -10.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.673 -8.487 -11.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.673 -7.618 -9.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.589 -7.064 -10.905 1.00 0.00 H new ATOM 870 N ASN A 61 -9.990 -1.223 -7.774 1.00 0.00 N ATOM 871 CA ASN A 61 -9.980 -0.088 -6.813 1.00 0.00 C ATOM 872 C ASN A 61 -9.535 -0.585 -5.436 1.00 0.00 C ATOM 873 O ASN A 61 -10.168 -1.425 -4.827 1.00 0.00 O ATOM 874 CB ASN A 61 -11.385 0.516 -6.715 1.00 0.00 C ATOM 875 CG ASN A 61 -11.758 1.181 -8.045 1.00 0.00 C ATOM 876 OD1 ASN A 61 -12.873 1.049 -8.509 1.00 0.00 O ATOM 877 ND2 ASN A 61 -10.868 1.896 -8.682 1.00 0.00 N ATOM 0 H ASN A 61 -10.877 -1.720 -7.854 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.284 0.675 -7.162 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.109 -0.262 -6.471 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.420 1.249 -5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.110 2.342 -9.567 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.931 2.008 -8.294 1.00 0.00 H new ATOM 884 N PHE A 62 -8.446 -0.064 -4.945 1.00 0.00 N ATOM 885 CA PHE A 62 -7.935 -0.483 -3.610 1.00 0.00 C ATOM 886 C PHE A 62 -9.041 -0.353 -2.554 1.00 0.00 C ATOM 887 O PHE A 62 -8.981 -0.962 -1.505 1.00 0.00 O ATOM 888 CB PHE A 62 -6.775 0.432 -3.224 1.00 0.00 C ATOM 889 CG PHE A 62 -6.290 0.065 -1.847 1.00 0.00 C ATOM 890 CD1 PHE A 62 -5.326 -0.929 -1.696 1.00 0.00 C ATOM 891 CD2 PHE A 62 -6.802 0.726 -0.726 1.00 0.00 C ATOM 892 CE1 PHE A 62 -4.873 -1.273 -0.413 1.00 0.00 C ATOM 893 CE2 PHE A 62 -6.353 0.382 0.554 1.00 0.00 C ATOM 894 CZ PHE A 62 -5.387 -0.617 0.709 1.00 0.00 C ATOM 0 H PHE A 62 -7.882 0.642 -5.417 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.608 -1.522 -3.658 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.964 0.335 -3.946 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.096 1.473 -3.244 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.928 -1.434 -2.564 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.544 1.502 -0.848 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.127 -2.045 -0.293 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.752 0.887 1.421 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.038 -0.882 1.696 1.00 0.00 H new ATOM 904 N PHE A 63 -10.031 0.460 -2.802 1.00 0.00 N ATOM 905 CA PHE A 63 -11.105 0.648 -1.779 1.00 0.00 C ATOM 906 C PHE A 63 -12.444 0.092 -2.265 1.00 0.00 C ATOM 907 O PHE A 63 -13.385 -0.009 -1.502 1.00 0.00 O ATOM 908 CB PHE A 63 -11.270 2.140 -1.494 1.00 0.00 C ATOM 909 CG PHE A 63 -9.996 2.687 -0.898 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.625 2.333 0.403 1.00 0.00 C ATOM 911 CD2 PHE A 63 -9.189 3.552 -1.646 1.00 0.00 C ATOM 912 CE1 PHE A 63 -8.446 2.842 0.957 1.00 0.00 C ATOM 913 CE2 PHE A 63 -8.009 4.062 -1.092 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.638 3.708 0.211 1.00 0.00 C ATOM 0 H PHE A 63 -10.145 0.999 -3.660 1.00 0.00 H new ATOM 0 HA PHE A 63 -10.812 0.110 -0.878 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -11.510 2.672 -2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -12.102 2.299 -0.808 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.249 1.667 0.980 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.477 3.826 -2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.159 2.567 1.961 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.385 4.728 -1.669 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.729 4.103 0.640 1.00 0.00 H new ATOM 924 N LYS A 64 -12.559 -0.256 -3.515 1.00 0.00 N ATOM 925 CA LYS A 64 -13.864 -0.782 -4.008 1.00 0.00 C ATOM 926 C LYS A 64 -13.640 -2.012 -4.884 1.00 0.00 C ATOM 927 O LYS A 64 -14.301 -2.192 -5.888 1.00 0.00 O ATOM 928 CB LYS A 64 -14.566 0.302 -4.828 1.00 0.00 C ATOM 929 CG LYS A 64 -15.454 1.144 -3.911 1.00 0.00 C ATOM 930 CD LYS A 64 -15.118 2.626 -4.093 1.00 0.00 C ATOM 931 CE LYS A 64 -15.792 3.441 -2.989 1.00 0.00 C ATOM 932 NZ LYS A 64 -17.035 4.066 -3.521 1.00 0.00 N ATOM 0 H LYS A 64 -11.816 -0.201 -4.211 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.481 -1.062 -3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.828 0.936 -5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.167 -0.155 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.504 0.967 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.303 0.851 -2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.038 2.772 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.456 2.969 -5.071 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.030 2.798 -2.141 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.112 4.211 -2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.494 4.620 -2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.796 4.692 -4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.685 3.323 -3.848 1.00 0.00 H new ATOM 946 N ASP A 65 -12.725 -2.872 -4.519 1.00 0.00 N ATOM 947 CA ASP A 65 -12.489 -4.092 -5.356 1.00 0.00 C ATOM 948 C ASP A 65 -11.253 -4.880 -4.889 1.00 0.00 C ATOM 949 O ASP A 65 -11.063 -6.010 -5.294 1.00 0.00 O ATOM 950 CB ASP A 65 -12.285 -3.678 -6.818 1.00 0.00 C ATOM 951 CG ASP A 65 -13.334 -4.364 -7.695 1.00 0.00 C ATOM 952 OD1 ASP A 65 -13.279 -5.578 -7.809 1.00 0.00 O ATOM 953 OD2 ASP A 65 -14.172 -3.665 -8.239 1.00 0.00 O ATOM 0 H ASP A 65 -12.137 -2.787 -3.690 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.364 -4.734 -5.253 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.366 -2.595 -6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.283 -3.953 -7.148 1.00 0.00 H new ATOM 958 N VAL A 66 -10.400 -4.319 -4.065 1.00 0.00 N ATOM 959 CA VAL A 66 -9.204 -5.079 -3.634 1.00 0.00 C ATOM 960 C VAL A 66 -9.276 -5.324 -2.142 1.00 0.00 C ATOM 961 O VAL A 66 -9.135 -6.432 -1.662 1.00 0.00 O ATOM 962 CB VAL A 66 -7.963 -4.240 -3.897 1.00 0.00 C ATOM 963 CG1 VAL A 66 -6.735 -5.102 -3.757 1.00 0.00 C ATOM 964 CG2 VAL A 66 -7.970 -3.678 -5.304 1.00 0.00 C ATOM 0 H VAL A 66 -10.486 -3.378 -3.681 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.163 -6.022 -4.179 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.957 -3.422 -3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.845 -4.501 -3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.690 -5.510 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.780 -5.919 -4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.071 -3.083 -5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.995 -4.497 -6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.850 -3.049 -5.440 1.00 0.00 H new ATOM 974 N ALA A 67 -9.455 -4.274 -1.408 1.00 0.00 N ATOM 975 CA ALA A 67 -9.495 -4.384 0.061 1.00 0.00 C ATOM 976 C ALA A 67 -10.856 -3.902 0.589 1.00 0.00 C ATOM 977 O ALA A 67 -11.051 -2.718 0.774 1.00 0.00 O ATOM 978 CB ALA A 67 -8.382 -3.501 0.608 1.00 0.00 C ATOM 0 H ALA A 67 -9.577 -3.329 -1.772 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.359 -5.419 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.377 -3.554 1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.422 -3.846 0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.549 -2.470 0.296 1.00 0.00 H new ATOM 984 N PRO A 68 -11.759 -4.832 0.832 1.00 0.00 N ATOM 985 CA PRO A 68 -13.097 -4.501 1.353 1.00 0.00 C ATOM 986 C PRO A 68 -13.020 -4.159 2.847 1.00 0.00 C ATOM 987 O PRO A 68 -14.008 -3.811 3.463 1.00 0.00 O ATOM 988 CB PRO A 68 -13.905 -5.781 1.122 1.00 0.00 C ATOM 989 CG PRO A 68 -12.878 -6.932 1.011 1.00 0.00 C ATOM 990 CD PRO A 68 -11.539 -6.283 0.618 1.00 0.00 C ATOM 0 HA PRO A 68 -13.543 -3.633 0.867 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.598 -5.957 1.945 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.502 -5.705 0.213 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.788 -7.465 1.958 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.191 -7.661 0.263 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.720 -6.656 1.233 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.282 -6.498 -0.419 1.00 0.00 H new ATOM 998 N CYS A 69 -11.855 -4.252 3.435 1.00 0.00 N ATOM 999 CA CYS A 69 -11.719 -3.932 4.883 1.00 0.00 C ATOM 1000 C CYS A 69 -11.260 -2.475 5.052 1.00 0.00 C ATOM 1001 O CYS A 69 -11.358 -1.903 6.118 1.00 0.00 O ATOM 1002 CB CYS A 69 -10.683 -4.876 5.512 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.023 -4.490 4.890 1.00 0.00 S ATOM 0 H CYS A 69 -10.992 -4.536 2.972 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.682 -4.062 5.378 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -10.704 -4.779 6.597 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -10.935 -5.911 5.279 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.326 -3.928 5.833 1.00 0.00 H new ATOM 1008 N THR A 70 -10.744 -1.880 4.008 1.00 0.00 N ATOM 1009 CA THR A 70 -10.264 -0.475 4.113 1.00 0.00 C ATOM 1010 C THR A 70 -11.422 0.494 3.857 1.00 0.00 C ATOM 1011 O THR A 70 -11.219 1.679 3.702 1.00 0.00 O ATOM 1012 CB THR A 70 -9.151 -0.241 3.085 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.634 -0.540 1.782 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.964 -1.150 3.407 1.00 0.00 C ATOM 0 H THR A 70 -10.635 -2.308 3.089 1.00 0.00 H new ATOM 0 HA THR A 70 -9.875 -0.300 5.116 1.00 0.00 H new ATOM 0 HB THR A 70 -8.836 0.802 3.124 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.393 0.186 1.169 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.171 -0.985 2.677 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.591 -0.922 4.406 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.282 -2.192 3.368 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.634 0.005 3.822 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.791 0.913 3.589 1.00 0.00 C ATOM 1024 C ASP A 71 -14.290 1.434 4.937 1.00 0.00 C ATOM 1025 O ASP A 71 -15.453 1.318 5.272 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.913 0.147 2.883 1.00 0.00 C ATOM 1027 CG ASP A 71 -15.335 -1.058 3.730 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -14.823 -1.198 4.829 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -16.164 -1.822 3.264 1.00 0.00 O ATOM 0 H ASP A 71 -12.870 -0.980 3.944 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.484 1.750 2.961 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.767 0.804 2.719 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.576 -0.187 1.902 1.00 0.00 H new ATOM 1034 N SER A 72 -13.410 2.008 5.708 1.00 0.00 N ATOM 1035 CA SER A 72 -13.803 2.544 7.040 1.00 0.00 C ATOM 1036 C SER A 72 -13.088 3.891 7.259 1.00 0.00 C ATOM 1037 O SER A 72 -12.267 4.277 6.447 1.00 0.00 O ATOM 1038 CB SER A 72 -13.408 1.532 8.123 1.00 0.00 C ATOM 1039 OG SER A 72 -12.094 1.812 8.584 1.00 0.00 O ATOM 0 H SER A 72 -12.426 2.130 5.470 1.00 0.00 H new ATOM 0 HA SER A 72 -14.880 2.703 7.091 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.113 1.580 8.953 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.455 0.519 7.723 1.00 0.00 H new ATOM 0 HG SER A 72 -11.514 1.042 8.406 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.426 4.582 8.333 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.829 5.899 8.640 1.00 0.00 C ATOM 1047 C PRO A 73 -11.412 5.762 9.216 1.00 0.00 C ATOM 1048 O PRO A 73 -10.788 6.739 9.577 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.785 6.495 9.678 1.00 0.00 C ATOM 1050 CG PRO A 73 -14.532 5.305 10.321 1.00 0.00 C ATOM 1051 CD PRO A 73 -14.416 4.126 9.337 1.00 0.00 C ATOM 0 HA PRO A 73 -12.718 6.521 7.751 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.236 7.061 10.431 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.486 7.185 9.209 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.094 5.049 11.286 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.577 5.556 10.502 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -14.082 3.219 9.841 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.376 3.899 8.874 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.894 4.569 9.296 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.522 4.392 9.834 1.00 0.00 C ATOM 1061 C GLU A 74 -8.570 4.068 8.683 1.00 0.00 C ATOM 1062 O GLU A 74 -7.397 4.370 8.728 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.502 3.254 10.845 1.00 0.00 C ATOM 1064 CG GLU A 74 -10.626 3.451 11.862 1.00 0.00 C ATOM 1065 CD GLU A 74 -10.473 2.435 12.996 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -10.519 1.249 12.712 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -10.312 2.860 14.127 1.00 0.00 O ATOM 0 H GLU A 74 -11.364 3.710 9.011 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.207 5.311 10.328 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.623 2.299 10.335 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.539 3.223 11.354 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.596 4.465 12.261 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.595 3.328 11.378 1.00 0.00 H new ATOM 1074 N PHE A 75 -9.075 3.465 7.645 1.00 0.00 N ATOM 1075 CA PHE A 75 -8.211 3.142 6.478 1.00 0.00 C ATOM 1076 C PHE A 75 -8.510 4.167 5.384 1.00 0.00 C ATOM 1077 O PHE A 75 -7.723 5.063 5.119 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.515 1.727 5.976 1.00 0.00 C ATOM 1079 CG PHE A 75 -7.257 1.135 5.389 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.757 1.632 4.181 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.585 0.100 6.053 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.586 1.098 3.635 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -5.409 -0.435 5.504 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.911 0.066 4.297 1.00 0.00 C ATOM 0 H PHE A 75 -10.051 3.181 7.554 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.158 3.181 6.758 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.877 1.106 6.796 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.304 1.755 5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.276 2.429 3.670 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.971 -0.285 6.985 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.202 1.482 2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.889 -1.233 6.013 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.005 -0.344 3.875 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.663 4.082 4.775 1.00 0.00 N ATOM 1095 CA TYR A 76 -10.006 5.087 3.740 1.00 0.00 C ATOM 1096 C TYR A 76 -10.267 6.418 4.443 1.00 0.00 C ATOM 1097 O TYR A 76 -10.257 7.455 3.830 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.252 4.651 2.964 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.365 5.459 1.689 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.241 5.646 0.871 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.594 6.018 1.324 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.348 6.393 -0.310 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.703 6.764 0.144 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.580 6.952 -0.673 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.690 7.688 -1.836 1.00 0.00 O ATOM 0 H TYR A 76 -10.371 3.368 4.949 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.185 5.186 3.030 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.193 3.588 2.729 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.142 4.793 3.577 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.292 5.214 1.152 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.460 5.874 1.953 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.482 6.537 -0.939 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.653 7.195 -0.137 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.613 8.002 -1.938 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.495 6.391 5.736 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.734 7.655 6.490 1.00 0.00 C ATOM 1117 C GLY A 77 -9.489 8.533 6.434 1.00 0.00 C ATOM 1118 O GLY A 77 -9.518 9.645 5.944 1.00 0.00 O ATOM 0 H GLY A 77 -10.525 5.542 6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.585 8.187 6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.985 7.429 7.526 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.394 8.045 6.947 1.00 0.00 N ATOM 1123 CA LYS A 78 -7.144 8.857 6.939 1.00 0.00 C ATOM 1124 C LYS A 78 -6.735 9.151 5.500 1.00 0.00 C ATOM 1125 O LYS A 78 -5.959 10.043 5.233 1.00 0.00 O ATOM 1126 CB LYS A 78 -6.032 8.097 7.671 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.595 7.422 8.938 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.675 8.301 9.594 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.639 8.115 11.112 1.00 0.00 C ATOM 1130 NZ LYS A 78 -7.108 9.350 11.757 1.00 0.00 N ATOM 0 H LYS A 78 -8.310 7.121 7.371 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.317 9.802 7.453 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.600 7.345 7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.229 8.783 7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.018 6.451 8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.788 7.240 9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.508 9.348 9.342 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.659 8.034 9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.640 7.900 11.486 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.012 7.261 11.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.085 9.220 12.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.146 9.537 11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.723 10.156 11.523 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.261 8.411 4.574 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.936 8.637 3.151 1.00 0.00 C ATOM 1146 C PHE A 79 -7.773 9.787 2.608 1.00 0.00 C ATOM 1147 O PHE A 79 -7.306 10.580 1.835 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.272 7.364 2.393 1.00 0.00 C ATOM 1149 CG PHE A 79 -7.101 7.535 0.895 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -8.044 8.270 0.158 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -6.021 6.932 0.233 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -7.904 8.397 -1.230 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.889 7.062 -1.147 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.827 7.788 -1.879 1.00 0.00 C ATOM 0 H PHE A 79 -7.913 7.647 4.748 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.881 8.888 3.036 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.631 6.554 2.741 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.300 7.073 2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.877 8.737 0.662 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.292 6.367 0.794 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.627 8.964 -1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.055 6.598 -1.653 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.721 7.880 -2.950 1.00 0.00 H new ATOM 1164 N LYS A 80 -9.008 9.879 3.001 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.863 10.970 2.496 1.00 0.00 C ATOM 1166 C LYS A 80 -9.496 12.269 3.198 1.00 0.00 C ATOM 1167 O LYS A 80 -9.898 13.341 2.788 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.330 10.636 2.762 1.00 0.00 C ATOM 1169 CG LYS A 80 -12.004 10.233 1.450 1.00 0.00 C ATOM 1170 CD LYS A 80 -12.759 11.431 0.873 1.00 0.00 C ATOM 1171 CE LYS A 80 -14.264 11.192 1.004 1.00 0.00 C ATOM 1172 NZ LYS A 80 -14.645 11.207 2.445 1.00 0.00 N ATOM 0 H LYS A 80 -9.460 9.239 3.654 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.710 11.085 1.423 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.404 9.825 3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.838 11.498 3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.257 9.884 0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.692 9.405 1.622 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.477 12.342 1.401 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.492 11.574 -0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.814 11.962 0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.532 10.235 0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.681 11.181 2.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.237 10.377 2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.283 12.074 2.891 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.716 12.192 4.238 1.00 0.00 N ATOM 1187 CA GLU A 81 -8.313 13.446 4.937 1.00 0.00 C ATOM 1188 C GLU A 81 -6.943 13.852 4.413 1.00 0.00 C ATOM 1189 O GLU A 81 -6.676 15.010 4.162 1.00 0.00 O ATOM 1190 CB GLU A 81 -8.269 13.236 6.454 1.00 0.00 C ATOM 1191 CG GLU A 81 -7.185 12.224 6.807 1.00 0.00 C ATOM 1192 CD GLU A 81 -7.151 12.024 8.324 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -8.198 11.761 8.890 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -6.076 12.137 8.892 1.00 0.00 O ATOM 0 H GLU A 81 -8.343 11.328 4.632 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.042 14.233 4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.071 14.183 6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.237 12.883 6.809 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.382 11.275 6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.215 12.575 6.454 1.00 0.00 H new ATOM 1201 N GLY A 82 -6.081 12.894 4.218 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.733 13.210 3.672 1.00 0.00 C ATOM 1203 C GLY A 82 -4.922 13.768 2.263 1.00 0.00 C ATOM 1204 O GLY A 82 -4.269 14.707 1.856 1.00 0.00 O ATOM 0 H GLY A 82 -6.251 11.907 4.413 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.224 13.936 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.110 12.316 3.649 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.832 13.193 1.524 1.00 0.00 N ATOM 1209 CA VAL A 83 -6.102 13.681 0.140 1.00 0.00 C ATOM 1210 C VAL A 83 -6.501 15.160 0.194 1.00 0.00 C ATOM 1211 O VAL A 83 -6.054 15.964 -0.600 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.258 12.872 -0.464 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.613 13.422 -1.848 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.846 11.405 -0.595 1.00 0.00 C ATOM 0 H VAL A 83 -6.403 12.402 1.821 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.208 13.562 -0.472 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.126 12.952 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.434 12.843 -2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.914 14.466 -1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.744 13.350 -2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.669 10.833 -1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.974 11.329 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.602 11.006 0.390 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.350 15.518 1.118 1.00 0.00 N ATOM 1225 CA ALA A 84 -7.796 16.937 1.221 1.00 0.00 C ATOM 1226 C ALA A 84 -6.843 17.740 2.115 1.00 0.00 C ATOM 1227 O ALA A 84 -6.998 18.934 2.278 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.202 16.975 1.822 1.00 0.00 C ATOM 0 H ALA A 84 -7.756 14.887 1.809 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.797 17.380 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.536 18.010 1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.887 16.420 1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.186 16.522 2.813 1.00 0.00 H new ATOM 1234 N SER A 85 -5.862 17.105 2.698 1.00 0.00 N ATOM 1235 CA SER A 85 -4.916 17.850 3.577 1.00 0.00 C ATOM 1236 C SER A 85 -3.687 18.270 2.768 1.00 0.00 C ATOM 1237 O SER A 85 -2.995 19.207 3.114 1.00 0.00 O ATOM 1238 CB SER A 85 -4.481 16.953 4.736 1.00 0.00 C ATOM 1239 OG SER A 85 -3.419 17.582 5.444 1.00 0.00 O ATOM 0 H SER A 85 -5.675 16.107 2.604 1.00 0.00 H new ATOM 0 HA SER A 85 -5.411 18.738 3.971 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.322 16.771 5.405 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.158 15.983 4.359 1.00 0.00 H new ATOM 0 HG SER A 85 -3.139 17.010 6.189 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.407 17.582 1.693 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.221 17.943 0.866 1.00 0.00 C ATOM 1247 C GLY A 86 -0.967 17.324 1.483 1.00 0.00 C ATOM 1248 O GLY A 86 0.133 17.808 1.302 1.00 0.00 O ATOM 0 H GLY A 86 -3.948 16.787 1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.353 17.585 -0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.117 19.027 0.813 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.126 16.254 2.212 1.00 0.00 N ATOM 1253 CA ASN A 87 0.050 15.598 2.846 1.00 0.00 C ATOM 1254 C ASN A 87 -0.405 14.299 3.515 1.00 0.00 C ATOM 1255 O ASN A 87 -0.316 14.141 4.716 1.00 0.00 O ATOM 1256 CB ASN A 87 0.654 16.539 3.893 1.00 0.00 C ATOM 1257 CG ASN A 87 2.051 16.969 3.447 1.00 0.00 C ATOM 1258 OD1 ASN A 87 2.886 16.141 3.140 1.00 0.00 O ATOM 1259 ND2 ASN A 87 2.344 18.240 3.398 1.00 0.00 N ATOM 0 H ASN A 87 -2.023 15.805 2.396 1.00 0.00 H new ATOM 0 HA ASN A 87 0.803 15.374 2.091 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.017 17.414 4.022 1.00 0.00 H new ATOM 0 HB3 ASN A 87 0.707 16.038 4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 87 3.274 18.538 3.102 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.643 18.935 3.656 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.899 13.368 2.747 1.00 0.00 N ATOM 1267 CA LEU A 88 -1.363 12.084 3.343 1.00 0.00 C ATOM 1268 C LEU A 88 -0.227 11.452 4.146 1.00 0.00 C ATOM 1269 O LEU A 88 0.850 11.210 3.637 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.801 11.123 2.234 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.790 10.111 2.813 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.909 9.848 1.806 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -2.058 8.798 3.117 1.00 0.00 C ATOM 0 H LEU A 88 -1.001 13.440 1.735 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.209 12.281 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.264 11.677 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.935 10.608 1.819 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.219 10.512 3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.611 9.126 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.431 10.780 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.483 9.450 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.762 8.076 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.627 8.400 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.263 8.983 3.839 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.461 11.183 5.400 1.00 0.00 N ATOM 1286 CA ASN A 89 0.600 10.565 6.242 1.00 0.00 C ATOM 1287 C ASN A 89 -0.046 9.916 7.464 1.00 0.00 C ATOM 1288 O ASN A 89 -0.126 10.506 8.523 1.00 0.00 O ATOM 1289 CB ASN A 89 1.588 11.641 6.699 1.00 0.00 C ATOM 1290 CG ASN A 89 2.678 10.999 7.557 1.00 0.00 C ATOM 1291 OD1 ASN A 89 3.462 10.208 7.072 1.00 0.00 O ATOM 1292 ND2 ASN A 89 2.765 11.309 8.822 1.00 0.00 N ATOM 0 H ASN A 89 -1.343 11.365 5.879 1.00 0.00 H new ATOM 0 HA ASN A 89 1.133 9.811 5.662 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.033 12.132 5.834 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.067 12.410 7.269 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.491 10.887 9.402 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.107 11.973 9.231 1.00 0.00 H new ATOM 1299 N THR A 90 -0.512 8.705 7.326 1.00 0.00 N ATOM 1300 CA THR A 90 -1.155 8.031 8.486 1.00 0.00 C ATOM 1301 C THR A 90 -0.707 6.572 8.554 1.00 0.00 C ATOM 1302 O THR A 90 -0.066 6.061 7.658 1.00 0.00 O ATOM 1303 CB THR A 90 -2.677 8.089 8.335 1.00 0.00 C ATOM 1304 OG1 THR A 90 -3.285 7.448 9.448 1.00 0.00 O ATOM 1305 CG2 THR A 90 -3.093 7.382 7.045 1.00 0.00 C ATOM 0 H THR A 90 -0.475 8.157 6.466 1.00 0.00 H new ATOM 0 HA THR A 90 -0.859 8.541 9.403 1.00 0.00 H new ATOM 0 HB THR A 90 -2.999 9.130 8.293 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.698 6.609 9.156 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.177 7.425 6.940 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.626 7.876 6.193 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.773 6.341 7.081 1.00 0.00 H new ATOM 1313 N MET A 91 -1.044 5.903 9.619 1.00 0.00 N ATOM 1314 CA MET A 91 -0.653 4.476 9.774 1.00 0.00 C ATOM 1315 C MET A 91 -1.576 3.829 10.808 1.00 0.00 C ATOM 1316 O MET A 91 -2.307 4.507 11.502 1.00 0.00 O ATOM 1317 CB MET A 91 0.794 4.396 10.264 1.00 0.00 C ATOM 1318 CG MET A 91 0.938 5.202 11.556 1.00 0.00 C ATOM 1319 SD MET A 91 2.524 4.816 12.338 1.00 0.00 S ATOM 1320 CE MET A 91 2.652 6.317 13.342 1.00 0.00 C ATOM 0 H MET A 91 -1.579 6.288 10.397 1.00 0.00 H new ATOM 0 HA MET A 91 -0.738 3.958 8.819 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.074 3.357 10.437 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.470 4.785 9.502 1.00 0.00 H new ATOM 0 HG2 MET A 91 0.878 6.269 11.340 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.119 4.968 12.236 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.576 6.291 13.920 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.656 7.191 12.691 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.801 6.374 14.021 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.551 2.531 10.926 1.00 0.00 N ATOM 1331 CA PHE A 92 -2.435 1.869 11.933 1.00 0.00 C ATOM 1332 C PHE A 92 -2.295 0.351 11.833 1.00 0.00 C ATOM 1333 O PHE A 92 -1.952 -0.185 10.804 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.897 2.262 11.683 1.00 0.00 C ATOM 1335 CG PHE A 92 -4.208 2.125 10.215 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -4.417 0.859 9.661 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -4.273 3.264 9.407 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -4.684 0.731 8.292 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.547 3.139 8.041 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.752 1.872 7.483 1.00 0.00 C ATOM 0 H PHE A 92 -0.964 1.903 10.377 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.137 2.194 12.930 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.561 1.626 12.268 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.070 3.288 12.009 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.373 -0.019 10.288 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.112 4.241 9.838 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.837 -0.247 7.861 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.600 4.019 7.418 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.963 1.774 6.428 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.570 -0.349 12.895 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.460 -1.833 12.849 1.00 0.00 C ATOM 1352 C GLU A 93 -3.724 -2.392 12.205 1.00 0.00 C ATOM 1353 O GLU A 93 -4.787 -2.388 12.793 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.310 -2.386 14.268 1.00 0.00 C ATOM 1355 CG GLU A 93 -3.499 -1.940 15.121 1.00 0.00 C ATOM 1356 CD GLU A 93 -2.990 -1.351 16.438 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -1.991 -0.651 16.403 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -3.607 -1.610 17.458 1.00 0.00 O ATOM 0 H GLU A 93 -2.865 0.039 13.791 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.586 -2.125 12.267 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.257 -3.474 14.241 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -1.379 -2.032 14.711 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.089 -1.198 14.582 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.156 -2.787 15.319 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.621 -2.860 10.994 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.822 -3.401 10.309 1.00 0.00 C ATOM 1367 C TYR A 94 -4.711 -4.918 10.191 1.00 0.00 C ATOM 1368 O TYR A 94 -3.738 -5.520 10.599 1.00 0.00 O ATOM 1369 CB TYR A 94 -4.924 -2.789 8.910 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.316 -2.247 8.698 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.811 -1.239 9.535 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -7.112 -2.752 7.664 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.102 -0.737 9.336 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.402 -2.250 7.466 1.00 0.00 C ATOM 1375 CZ TYR A 94 -8.898 -1.243 8.302 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.171 -0.748 8.103 1.00 0.00 O ATOM 0 H TYR A 94 -2.758 -2.891 10.451 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.711 -3.150 10.887 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.190 -1.991 8.796 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.696 -3.541 8.155 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.197 -0.849 10.333 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.730 -3.529 7.019 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.484 0.041 9.980 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.016 -2.640 6.667 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.714 -1.419 7.639 1.00 0.00 H new ATOM 1386 N THR A 95 -5.707 -5.536 9.627 1.00 0.00 N ATOM 1387 CA THR A 95 -5.688 -7.012 9.461 1.00 0.00 C ATOM 1388 C THR A 95 -6.429 -7.360 8.173 1.00 0.00 C ATOM 1389 O THR A 95 -7.632 -7.212 8.079 1.00 0.00 O ATOM 1390 CB THR A 95 -6.386 -7.676 10.651 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.678 -7.368 11.844 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.419 -9.194 10.451 1.00 0.00 C ATOM 0 H THR A 95 -6.544 -5.075 9.270 1.00 0.00 H new ATOM 0 HA THR A 95 -4.660 -7.370 9.412 1.00 0.00 H new ATOM 0 HB THR A 95 -7.407 -7.303 10.726 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.124 -7.791 12.607 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.917 -9.662 11.300 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.964 -9.429 9.537 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.400 -9.573 10.374 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.726 -7.813 7.177 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.404 -8.158 5.896 1.00 0.00 C ATOM 1402 C PHE A 96 -7.035 -9.546 6.011 1.00 0.00 C ATOM 1403 O PHE A 96 -6.357 -10.532 6.213 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.387 -8.146 4.748 1.00 0.00 C ATOM 1405 CG PHE A 96 -4.751 -6.771 4.601 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.393 -5.620 5.093 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.511 -6.654 3.963 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -4.794 -4.365 4.944 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -2.913 -5.396 3.815 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.554 -4.254 4.306 1.00 0.00 C ATOM 0 H PHE A 96 -4.717 -7.960 7.191 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.181 -7.422 5.691 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.613 -8.891 4.934 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.880 -8.425 3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.350 -5.706 5.586 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.014 -7.535 3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.288 -3.482 5.321 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -1.956 -5.308 3.321 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.091 -3.285 4.192 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.332 -9.629 5.888 1.00 0.00 N ATOM 1421 CA ASP A 97 -9.002 -10.952 5.998 1.00 0.00 C ATOM 1422 C ASP A 97 -10.244 -10.988 5.109 1.00 0.00 C ATOM 1423 O ASP A 97 -11.296 -11.437 5.519 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.412 -11.193 7.451 1.00 0.00 C ATOM 1425 CG ASP A 97 -10.163 -9.969 7.978 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -9.508 -9.054 8.449 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -11.380 -9.967 7.899 1.00 0.00 O ATOM 0 H ASP A 97 -8.954 -8.839 5.717 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.310 -11.730 5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -10.044 -12.078 7.520 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -8.530 -11.383 8.062 1.00 0.00 H new ATOM 1432 N TYR A 98 -10.127 -10.553 3.885 1.00 0.00 N ATOM 1433 CA TYR A 98 -11.303 -10.607 2.975 1.00 0.00 C ATOM 1434 C TYR A 98 -11.419 -12.055 2.503 1.00 0.00 C ATOM 1435 O TYR A 98 -10.414 -12.659 2.210 1.00 0.00 O ATOM 1436 CB TYR A 98 -11.076 -9.675 1.772 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.863 -10.133 0.987 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -9.971 -11.218 0.112 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -8.634 -9.481 1.140 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -8.856 -11.657 -0.606 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -7.514 -9.918 0.418 1.00 0.00 C ATOM 1442 CZ TYR A 98 -7.626 -11.006 -0.456 1.00 0.00 C ATOM 1443 OH TYR A 98 -6.524 -11.439 -1.165 1.00 0.00 O ATOM 0 H TYR A 98 -9.275 -10.166 3.479 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.213 -10.284 3.481 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.957 -9.675 1.130 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.932 -8.651 2.116 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.920 -11.719 -0.009 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -8.548 -8.641 1.814 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -8.943 -12.499 -1.277 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -6.565 -9.415 0.536 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.647 -12.377 -1.421 1.00 0.00 H new ATOM 1453 N GLN A 99 -12.628 -12.606 2.467 1.00 0.00 N ATOM 1454 CA GLN A 99 -12.870 -14.052 2.045 1.00 0.00 C ATOM 1455 C GLN A 99 -11.560 -14.786 1.722 1.00 0.00 C ATOM 1456 O GLN A 99 -11.285 -15.132 0.592 1.00 0.00 O ATOM 1457 CB GLN A 99 -13.802 -14.102 0.823 1.00 0.00 C ATOM 1458 CG GLN A 99 -13.516 -12.936 -0.129 1.00 0.00 C ATOM 1459 CD GLN A 99 -14.746 -12.029 -0.208 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -14.941 -11.177 0.635 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -15.590 -12.177 -1.193 1.00 0.00 N ATOM 0 H GLN A 99 -13.479 -12.103 2.718 1.00 0.00 H new ATOM 0 HA GLN A 99 -13.339 -14.558 2.888 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -13.669 -15.047 0.297 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -14.841 -14.063 1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.654 -12.368 0.222 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -13.266 -13.315 -1.120 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -15.427 -12.892 -1.901 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -16.413 -11.577 -1.254 1.00 0.00 H new ATOM 1470 N MET A 100 -10.739 -14.983 2.721 1.00 0.00 N ATOM 1471 CA MET A 100 -9.423 -15.644 2.502 1.00 0.00 C ATOM 1472 C MET A 100 -8.722 -15.802 3.858 1.00 0.00 C ATOM 1473 O MET A 100 -9.281 -15.497 4.892 1.00 0.00 O ATOM 1474 CB MET A 100 -8.562 -14.753 1.594 1.00 0.00 C ATOM 1475 CG MET A 100 -7.778 -15.618 0.602 1.00 0.00 C ATOM 1476 SD MET A 100 -6.964 -14.555 -0.617 1.00 0.00 S ATOM 1477 CE MET A 100 -5.718 -13.836 0.483 1.00 0.00 C ATOM 0 H MET A 100 -10.928 -14.711 3.686 1.00 0.00 H new ATOM 0 HA MET A 100 -9.564 -16.619 2.036 1.00 0.00 H new ATOM 0 HB2 MET A 100 -9.196 -14.050 1.054 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.873 -14.162 2.198 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.036 -16.216 1.132 1.00 0.00 H new ATOM 0 HG3 MET A 100 -8.450 -16.315 0.101 1.00 0.00 H new ATOM 0 HE1 MET A 100 -4.768 -13.758 -0.045 1.00 0.00 H new ATOM 0 HE2 MET A 100 -6.040 -12.844 0.798 1.00 0.00 H new ATOM 0 HE3 MET A 100 -5.595 -14.473 1.359 1.00 0.00 H new ATOM 1487 N THR A 101 -7.499 -16.260 3.860 1.00 0.00 N ATOM 1488 CA THR A 101 -6.762 -16.415 5.147 1.00 0.00 C ATOM 1489 C THR A 101 -6.578 -15.029 5.786 1.00 0.00 C ATOM 1490 O THR A 101 -6.480 -14.045 5.079 1.00 0.00 O ATOM 1491 CB THR A 101 -5.394 -17.044 4.868 1.00 0.00 C ATOM 1492 OG1 THR A 101 -4.598 -16.998 6.043 1.00 0.00 O ATOM 1493 CG2 THR A 101 -4.695 -16.272 3.748 1.00 0.00 C ATOM 0 H THR A 101 -6.979 -16.533 3.026 1.00 0.00 H new ATOM 0 HA THR A 101 -7.322 -17.057 5.827 1.00 0.00 H new ATOM 0 HB THR A 101 -5.530 -18.082 4.564 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.724 -17.403 5.862 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.721 -16.720 3.550 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.303 -16.311 2.844 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.562 -15.233 4.050 1.00 0.00 H new ATOM 1501 N PRO A 102 -6.543 -14.979 7.102 1.00 0.00 N ATOM 1502 CA PRO A 102 -6.380 -13.705 7.828 1.00 0.00 C ATOM 1503 C PRO A 102 -4.929 -13.220 7.761 1.00 0.00 C ATOM 1504 O PRO A 102 -4.012 -13.992 7.563 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.779 -14.052 9.265 1.00 0.00 C ATOM 1506 CG PRO A 102 -6.606 -15.582 9.408 1.00 0.00 C ATOM 1507 CD PRO A 102 -6.654 -16.165 7.984 1.00 0.00 C ATOM 0 HA PRO A 102 -6.981 -12.898 7.408 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.152 -13.521 9.981 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.809 -13.757 9.464 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.660 -15.821 9.893 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.397 -16.005 10.027 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.837 -16.866 7.813 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.583 -16.708 7.807 1.00 0.00 H new ATOM 1515 N THR A 103 -4.718 -11.941 7.921 1.00 0.00 N ATOM 1516 CA THR A 103 -3.332 -11.398 7.864 1.00 0.00 C ATOM 1517 C THR A 103 -3.213 -10.201 8.810 1.00 0.00 C ATOM 1518 O THR A 103 -4.146 -9.451 9.011 1.00 0.00 O ATOM 1519 CB THR A 103 -3.017 -10.955 6.418 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.734 -12.103 5.632 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.807 -10.005 6.383 1.00 0.00 C ATOM 0 H THR A 103 -5.448 -11.248 8.089 1.00 0.00 H new ATOM 0 HA THR A 103 -2.623 -12.168 8.169 1.00 0.00 H new ATOM 0 HB THR A 103 -3.883 -10.426 6.020 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.004 -12.909 6.121 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.607 -9.708 5.353 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.023 -9.119 6.980 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.933 -10.514 6.790 1.00 0.00 H new ATOM 1529 N LYS A 104 -2.052 -10.009 9.365 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.831 -8.852 10.271 1.00 0.00 C ATOM 1531 C LYS A 104 -0.724 -7.999 9.671 1.00 0.00 C ATOM 1532 O LYS A 104 0.234 -8.521 9.143 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.383 -9.334 11.655 1.00 0.00 C ATOM 1534 CG LYS A 104 -0.429 -10.523 11.512 1.00 0.00 C ATOM 1535 CD LYS A 104 -1.222 -11.828 11.592 1.00 0.00 C ATOM 1536 CE LYS A 104 -0.270 -12.988 11.888 1.00 0.00 C ATOM 1537 NZ LYS A 104 -0.453 -13.433 13.299 1.00 0.00 N ATOM 0 H LYS A 104 -1.239 -10.610 9.228 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.757 -8.287 10.378 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.889 -8.523 12.189 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.251 -9.623 12.247 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.101 -10.465 10.561 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.325 -10.495 12.299 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.980 -11.758 12.372 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.747 -12.005 10.653 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.465 -13.816 11.206 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.762 -12.677 11.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.194 -14.222 13.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.246 -12.642 13.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.435 -13.746 13.440 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.833 -6.701 9.736 1.00 0.00 N ATOM 1552 CA VAL A 105 0.239 -5.852 9.150 1.00 0.00 C ATOM 1553 C VAL A 105 0.217 -4.457 9.773 1.00 0.00 C ATOM 1554 O VAL A 105 -0.832 -3.888 9.999 1.00 0.00 O ATOM 1555 CB VAL A 105 0.007 -5.685 7.634 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.188 -7.049 6.965 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.245 -4.831 7.370 1.00 0.00 C ATOM 0 H VAL A 105 -1.609 -6.197 10.165 1.00 0.00 H new ATOM 0 HA VAL A 105 1.195 -6.338 9.345 1.00 0.00 H new ATOM 0 HB VAL A 105 0.886 -5.192 7.218 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.350 -6.910 5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.700 -7.661 7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.053 -7.548 7.401 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.393 -4.724 6.295 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.116 -5.317 7.809 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.115 -3.846 7.818 1.00 0.00 H new ATOM 1567 N LYS A 106 1.359 -3.861 9.959 1.00 0.00 N ATOM 1568 CA LYS A 106 1.371 -2.461 10.456 1.00 0.00 C ATOM 1569 C LYS A 106 1.404 -1.621 9.188 1.00 0.00 C ATOM 1570 O LYS A 106 2.326 -1.696 8.408 1.00 0.00 O ATOM 1571 CB LYS A 106 2.587 -2.173 11.347 1.00 0.00 C ATOM 1572 CG LYS A 106 3.847 -2.760 10.727 1.00 0.00 C ATOM 1573 CD LYS A 106 4.076 -4.168 11.284 1.00 0.00 C ATOM 1574 CE LYS A 106 5.201 -4.129 12.323 1.00 0.00 C ATOM 1575 NZ LYS A 106 4.630 -4.272 13.695 1.00 0.00 N ATOM 0 H LYS A 106 2.275 -4.277 9.791 1.00 0.00 H new ATOM 0 HA LYS A 106 0.508 -2.244 11.085 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.705 -1.097 11.477 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.429 -2.598 12.338 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.749 -2.797 9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.705 -2.125 10.948 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.160 -4.544 11.738 1.00 0.00 H new ATOM 0 HD3 LYS A 106 4.336 -4.852 10.476 1.00 0.00 H new ATOM 0 HE2 LYS A 106 5.914 -4.931 12.131 1.00 0.00 H new ATOM 0 HE3 LYS A 106 5.749 -3.190 12.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 4.594 -3.340 14.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 3.669 -4.664 13.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 5.229 -4.912 14.255 1.00 0.00 H new ATOM 1589 N VAL A 107 0.356 -0.914 8.924 1.00 0.00 N ATOM 1590 CA VAL A 107 0.260 -0.151 7.647 1.00 0.00 C ATOM 1591 C VAL A 107 0.973 1.207 7.737 1.00 0.00 C ATOM 1592 O VAL A 107 1.154 1.761 8.806 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.253 0.083 7.346 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -2.065 -1.149 7.749 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.785 1.297 8.131 1.00 0.00 C ATOM 0 H VAL A 107 -0.452 -0.826 9.540 1.00 0.00 H new ATOM 0 HA VAL A 107 0.744 -0.723 6.855 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.356 0.268 6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.120 -0.976 7.535 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.718 -2.014 7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.937 -1.336 8.815 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.842 1.441 7.906 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.663 1.121 9.200 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.228 2.189 7.844 1.00 0.00 H new ATOM 1605 N HIS A 108 1.278 1.778 6.602 1.00 0.00 N ATOM 1606 CA HIS A 108 1.880 3.142 6.572 1.00 0.00 C ATOM 1607 C HIS A 108 1.589 3.735 5.196 1.00 0.00 C ATOM 1608 O HIS A 108 2.259 3.431 4.245 1.00 0.00 O ATOM 1609 CB HIS A 108 3.392 3.091 6.793 1.00 0.00 C ATOM 1610 CG HIS A 108 3.930 4.493 6.693 1.00 0.00 C ATOM 1611 ND1 HIS A 108 5.274 4.767 6.509 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.301 5.713 6.734 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.411 6.104 6.447 1.00 0.00 C ATOM 1614 NE2 HIS A 108 4.238 6.729 6.580 1.00 0.00 N ATOM 0 H HIS A 108 1.134 1.353 5.686 1.00 0.00 H new ATOM 0 HA HIS A 108 1.452 3.748 7.370 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.619 2.666 7.771 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.863 2.449 6.049 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.239 5.861 6.866 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.355 6.610 6.307 1.00 0.00 H new ATOM 0 HE2 HIS A 108 4.067 7.734 6.571 1.00 0.00 H new ATOM 1622 N MET A 109 0.581 4.552 5.073 1.00 0.00 N ATOM 1623 CA MET A 109 0.247 5.116 3.727 1.00 0.00 C ATOM 1624 C MET A 109 0.620 6.598 3.667 1.00 0.00 C ATOM 1625 O MET A 109 0.497 7.306 4.648 1.00 0.00 O ATOM 1626 CB MET A 109 -1.265 4.971 3.474 1.00 0.00 C ATOM 1627 CG MET A 109 -1.796 3.687 4.130 1.00 0.00 C ATOM 1628 SD MET A 109 -3.570 3.525 3.799 1.00 0.00 S ATOM 1629 CE MET A 109 -4.110 4.994 4.706 1.00 0.00 C ATOM 0 H MET A 109 -0.024 4.854 5.836 1.00 0.00 H new ATOM 0 HA MET A 109 0.809 4.572 2.968 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.792 5.837 3.875 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.460 4.947 2.402 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.262 2.820 3.741 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.617 3.715 5.205 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.163 4.892 4.970 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.516 5.100 5.614 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.977 5.877 4.081 1.00 0.00 H new ATOM 1639 N LYS A 110 1.070 7.094 2.531 1.00 0.00 N ATOM 1640 CA LYS A 110 1.425 8.547 2.486 1.00 0.00 C ATOM 1641 C LYS A 110 1.003 9.152 1.145 1.00 0.00 C ATOM 1642 O LYS A 110 0.204 8.591 0.425 1.00 0.00 O ATOM 1643 CB LYS A 110 2.934 8.702 2.681 1.00 0.00 C ATOM 1644 CG LYS A 110 3.226 9.880 3.612 1.00 0.00 C ATOM 1645 CD LYS A 110 4.718 9.900 3.943 1.00 0.00 C ATOM 1646 CE LYS A 110 5.225 11.343 3.935 1.00 0.00 C ATOM 1647 NZ LYS A 110 6.714 11.344 3.960 1.00 0.00 N ATOM 0 H LYS A 110 1.202 6.573 1.664 1.00 0.00 H new ATOM 0 HA LYS A 110 0.900 9.073 3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.350 7.786 3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.418 8.861 1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.934 10.816 3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.639 9.791 4.526 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.890 9.449 4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.270 9.306 3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.865 11.862 3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.835 11.882 4.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.061 12.325 3.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.047 10.864 4.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.076 10.844 3.123 1.00 0.00 H new ATOM 1661 N LYS A 111 1.524 10.300 0.810 1.00 0.00 N ATOM 1662 CA LYS A 111 1.150 10.942 -0.481 1.00 0.00 C ATOM 1663 C LYS A 111 2.285 10.745 -1.485 1.00 0.00 C ATOM 1664 O LYS A 111 3.329 11.360 -1.390 1.00 0.00 O ATOM 1665 CB LYS A 111 0.905 12.436 -0.258 1.00 0.00 C ATOM 1666 CG LYS A 111 0.566 13.107 -1.591 1.00 0.00 C ATOM 1667 CD LYS A 111 0.624 14.627 -1.425 1.00 0.00 C ATOM 1668 CE LYS A 111 2.081 15.090 -1.486 1.00 0.00 C ATOM 1669 NZ LYS A 111 2.337 15.749 -2.798 1.00 0.00 N ATOM 0 H LYS A 111 2.194 10.822 1.376 1.00 0.00 H new ATOM 0 HA LYS A 111 0.239 10.487 -0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.089 12.579 0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.790 12.899 0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.269 12.787 -2.361 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.428 12.804 -1.921 1.00 0.00 H new ATOM 0 HD2 LYS A 111 0.044 15.112 -2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 111 0.178 14.917 -0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.288 15.784 -0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.750 14.239 -1.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.327 16.064 -2.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.155 15.073 -3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.707 16.570 -2.903 1.00 0.00 H new ATOM 1683 N ALA A 112 2.089 9.883 -2.441 1.00 0.00 N ATOM 1684 CA ALA A 112 3.149 9.624 -3.453 1.00 0.00 C ATOM 1685 C ALA A 112 3.584 10.937 -4.110 1.00 0.00 C ATOM 1686 O ALA A 112 2.809 11.862 -4.249 1.00 0.00 O ATOM 1687 CB ALA A 112 2.599 8.667 -4.509 1.00 0.00 C ATOM 0 H ALA A 112 1.233 9.342 -2.566 1.00 0.00 H new ATOM 0 HA ALA A 112 4.017 9.178 -2.968 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.367 8.470 -5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.306 7.731 -4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.731 9.117 -4.991 1.00 0.00 H new ATOM 1693 N LEU A 113 4.825 11.021 -4.511 1.00 0.00 N ATOM 1694 CA LEU A 113 5.323 12.270 -5.156 1.00 0.00 C ATOM 1695 C LEU A 113 5.130 12.195 -6.677 1.00 0.00 C ATOM 1696 O LEU A 113 5.476 13.112 -7.396 1.00 0.00 O ATOM 1697 CB LEU A 113 6.811 12.441 -4.842 1.00 0.00 C ATOM 1698 CG LEU A 113 6.974 13.228 -3.541 1.00 0.00 C ATOM 1699 CD1 LEU A 113 7.580 12.323 -2.465 1.00 0.00 C ATOM 1700 CD2 LEU A 113 7.899 14.424 -3.779 1.00 0.00 C ATOM 0 H LEU A 113 5.516 10.277 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 113 4.761 13.120 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.288 11.465 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.308 12.963 -5.660 1.00 0.00 H new ATOM 0 HG LEU A 113 5.998 13.582 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.695 12.886 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.922 11.472 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.555 11.966 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.015 14.985 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.874 14.069 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.468 15.071 -4.543 1.00 0.00 H new ATOM 1742 N SER A 117 -0.626 11.674 -5.327 1.00 0.00 N ATOM 1743 CA SER A 117 -1.135 10.274 -5.251 1.00 0.00 C ATOM 1744 C SER A 117 -1.223 9.823 -3.788 1.00 0.00 C ATOM 1745 O SER A 117 -1.094 10.612 -2.873 1.00 0.00 O ATOM 1746 CB SER A 117 -0.196 9.342 -6.020 1.00 0.00 C ATOM 1747 OG SER A 117 0.782 10.114 -6.705 1.00 0.00 O ATOM 0 HA SER A 117 -2.130 10.235 -5.695 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.289 8.649 -5.333 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.764 8.742 -6.731 1.00 0.00 H new ATOM 0 HG SER A 117 0.691 11.056 -6.452 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.458 8.557 -3.573 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.580 8.025 -2.178 1.00 0.00 C ATOM 1755 C TYR A 118 -1.133 6.561 -2.184 1.00 0.00 C ATOM 1756 O TYR A 118 -1.682 5.754 -2.910 1.00 0.00 O ATOM 1757 CB TYR A 118 -3.055 8.089 -1.738 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.714 9.317 -2.294 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.495 10.569 -1.713 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.551 9.191 -3.400 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -4.117 11.699 -2.250 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -5.171 10.312 -3.937 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.958 11.573 -3.364 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.575 12.687 -3.895 1.00 0.00 O ATOM 0 H TYR A 118 -1.572 7.860 -4.308 1.00 0.00 H new ATOM 0 HA TYR A 118 -0.966 8.613 -1.496 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.582 7.199 -2.081 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.116 8.097 -0.650 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.848 10.663 -0.853 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.718 8.220 -3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.950 12.669 -1.807 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.817 10.212 -4.796 1.00 0.00 H new ATOM 0 HH TYR A 118 -6.493 12.461 -4.153 1.00 0.00 H new ATOM 1774 N TRP A 119 -0.145 6.196 -1.404 1.00 0.00 N ATOM 1775 CA TRP A 119 0.291 4.772 -1.423 1.00 0.00 C ATOM 1776 C TRP A 119 0.182 4.124 -0.047 1.00 0.00 C ATOM 1777 O TRP A 119 0.161 4.784 0.964 1.00 0.00 O ATOM 1778 CB TRP A 119 1.703 4.646 -1.995 1.00 0.00 C ATOM 1779 CG TRP A 119 2.647 5.649 -1.424 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.171 6.695 -2.076 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.227 5.661 -0.119 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.052 7.357 -1.235 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.117 6.743 -0.006 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.050 4.828 0.955 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 4.826 6.979 1.167 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.754 5.043 2.148 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.646 6.118 2.252 1.00 0.00 C ATOM 0 H TRP A 119 0.367 6.809 -0.769 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.388 4.228 -2.079 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.082 3.643 -1.798 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.664 4.765 -3.078 1.00 0.00 H new ATOM 0 HD1 TRP A 119 2.944 6.977 -3.093 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.582 8.189 -1.493 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.362 3.999 0.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.506 7.815 1.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.609 4.379 2.988 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.193 6.281 3.169 1.00 0.00 H new ATOM 1798 N VAL A 120 0.075 2.815 -0.024 1.00 0.00 N ATOM 1799 CA VAL A 120 -0.071 2.079 1.263 1.00 0.00 C ATOM 1800 C VAL A 120 1.021 1.008 1.393 1.00 0.00 C ATOM 1801 O VAL A 120 1.030 0.025 0.680 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.445 1.392 1.293 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.640 0.703 2.644 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.540 2.441 1.091 1.00 0.00 C ATOM 0 H VAL A 120 0.083 2.223 -0.855 1.00 0.00 H new ATOM 0 HA VAL A 120 0.021 2.786 2.088 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.500 0.650 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.615 0.215 2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.858 -0.042 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.587 1.444 3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.516 1.957 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.486 3.182 1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.400 2.933 0.129 1.00 0.00 H new ATOM 1814 N PHE A 121 1.926 1.181 2.319 1.00 0.00 N ATOM 1815 CA PHE A 121 2.996 0.165 2.522 1.00 0.00 C ATOM 1816 C PHE A 121 2.569 -0.746 3.654 1.00 0.00 C ATOM 1817 O PHE A 121 2.459 -0.330 4.788 1.00 0.00 O ATOM 1818 CB PHE A 121 4.331 0.841 2.867 1.00 0.00 C ATOM 1819 CG PHE A 121 4.713 1.833 1.781 1.00 0.00 C ATOM 1820 CD1 PHE A 121 4.061 1.823 0.533 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.715 2.776 2.029 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.411 2.752 -0.451 1.00 0.00 C ATOM 1823 CE2 PHE A 121 6.063 3.707 1.042 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.407 3.695 -0.195 1.00 0.00 C ATOM 0 H PHE A 121 1.969 1.985 2.945 1.00 0.00 H new ATOM 0 HA PHE A 121 3.140 -0.406 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.250 1.353 3.826 1.00 0.00 H new ATOM 0 HB3 PHE A 121 5.112 0.088 2.973 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.288 1.095 0.335 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.221 2.787 2.983 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.911 2.740 -1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.838 4.434 1.235 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.673 4.417 -0.953 1.00 0.00 H new ATOM 1834 N VAL A 122 2.291 -1.979 3.357 1.00 0.00 N ATOM 1835 CA VAL A 122 1.833 -2.893 4.427 1.00 0.00 C ATOM 1836 C VAL A 122 2.987 -3.771 4.907 1.00 0.00 C ATOM 1837 O VAL A 122 3.501 -4.602 4.188 1.00 0.00 O ATOM 1838 CB VAL A 122 0.656 -3.736 3.883 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.706 -5.191 4.381 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.656 -3.103 4.345 1.00 0.00 C ATOM 0 H VAL A 122 2.361 -2.390 2.426 1.00 0.00 H new ATOM 0 HA VAL A 122 1.488 -2.323 5.290 1.00 0.00 H new ATOM 0 HB VAL A 122 0.728 -3.751 2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.140 -5.744 3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.636 -5.656 4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.658 -5.205 5.470 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.495 -3.688 3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.687 -3.084 5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.723 -2.084 3.963 1.00 0.00 H new ATOM 1850 N LYS A 123 3.346 -3.616 6.144 1.00 0.00 N ATOM 1851 CA LYS A 123 4.433 -4.461 6.724 1.00 0.00 C ATOM 1852 C LYS A 123 3.793 -5.718 7.301 1.00 0.00 C ATOM 1853 O LYS A 123 2.948 -5.642 8.169 1.00 0.00 O ATOM 1854 CB LYS A 123 5.126 -3.699 7.851 1.00 0.00 C ATOM 1855 CG LYS A 123 6.635 -3.960 7.858 1.00 0.00 C ATOM 1856 CD LYS A 123 7.265 -3.659 6.493 1.00 0.00 C ATOM 1857 CE LYS A 123 8.730 -3.239 6.707 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.444 -4.301 7.472 1.00 0.00 N ATOM 0 H LYS A 123 2.935 -2.939 6.787 1.00 0.00 H new ATOM 0 HA LYS A 123 5.164 -4.714 5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.941 -2.631 7.737 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.700 -3.996 8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 123 7.108 -3.343 8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.824 -5.000 8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.214 -4.539 5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.714 -2.865 5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.218 -3.078 5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.773 -2.294 7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.454 -4.286 7.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.333 -4.129 8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.043 -5.230 7.232 1.00 0.00 H new ATOM 1872 N ARG A 124 4.166 -6.876 6.833 1.00 0.00 N ATOM 1873 CA ARG A 124 3.535 -8.108 7.385 1.00 0.00 C ATOM 1874 C ARG A 124 4.083 -8.373 8.788 1.00 0.00 C ATOM 1875 O ARG A 124 5.263 -8.587 8.980 1.00 0.00 O ATOM 1876 CB ARG A 124 3.818 -9.299 6.464 1.00 0.00 C ATOM 1877 CG ARG A 124 3.081 -10.533 6.989 1.00 0.00 C ATOM 1878 CD ARG A 124 3.382 -11.728 6.082 1.00 0.00 C ATOM 1879 NE ARG A 124 4.530 -12.496 6.639 1.00 0.00 N ATOM 1880 CZ ARG A 124 4.551 -13.796 6.542 1.00 0.00 C ATOM 1881 NH1 ARG A 124 4.011 -14.529 7.476 1.00 0.00 N ATOM 1882 NH2 ARG A 124 5.111 -14.366 5.509 1.00 0.00 N ATOM 0 H ARG A 124 4.867 -7.023 6.106 1.00 0.00 H new ATOM 0 HA ARG A 124 2.456 -7.970 7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.494 -9.073 5.448 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.890 -9.493 6.421 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.393 -10.750 8.011 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.008 -10.345 7.017 1.00 0.00 H new ATOM 0 HD2 ARG A 124 2.504 -12.370 6.005 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.615 -11.384 5.074 1.00 0.00 H new ATOM 0 HE ARG A 124 5.299 -12.006 7.096 1.00 0.00 H new ATOM 0 HH11 ARG A 124 3.572 -14.085 8.283 1.00 0.00 H new ATOM 0 HH12 ARG A 124 4.028 -15.546 7.400 1.00 0.00 H new ATOM 0 HH21 ARG A 124 5.532 -13.794 4.777 1.00 0.00 H new ATOM 0 HH22 ARG A 124 5.127 -15.383 5.434 1.00 0.00 H new ATOM 1896 N VAL A 125 3.224 -8.347 9.773 1.00 0.00 N ATOM 1897 CA VAL A 125 3.677 -8.580 11.173 1.00 0.00 C ATOM 1898 C VAL A 125 3.704 -10.084 11.450 1.00 0.00 C ATOM 1899 O VAL A 125 4.428 -10.489 12.345 1.00 0.00 O ATOM 1900 CB VAL A 125 2.722 -7.898 12.171 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.533 -7.335 13.326 1.00 0.00 C ATOM 1902 CG2 VAL A 125 1.965 -6.738 11.517 1.00 0.00 C ATOM 1903 OXT VAL A 125 3.002 -10.807 10.763 1.00 0.00 O ATOM 0 H VAL A 125 2.225 -8.174 9.666 1.00 0.00 H new ATOM 0 HA VAL A 125 4.674 -8.157 11.295 1.00 0.00 H new ATOM 0 HB VAL A 125 2.004 -8.644 12.513 1.00 0.00 H new ATOM 0 HG11 VAL A 125 2.865 -6.850 14.038 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.068 -8.144 13.824 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.249 -6.606 12.946 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.300 -6.279 12.249 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.677 -5.995 11.158 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.378 -7.113 10.679 1.00 0.00 H new