USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 784 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 61 THR OG1 : rot 180:sc= 0.0193 USER MOD Set 1.2: A 62 ASN : amide:sc= 0 X(o=0.019,f=0.13) USER MOD Set 2.1: A 53 GLN : amide:sc= 0.803 K(o=1.2,f=-2.3) USER MOD Set 2.2: A 57 HIS : no HD1:sc= 0.355 K(o=1.2,f=-5.3!) USER MOD Set 3.1: A 43 THR OG1 : rot -70:sc= 1.11 USER MOD Set 3.2: A 44 HIS : no HD1:sc= -0.451 X(o=0.65,f=1.1) USER MOD Set 3.3: A 49 TYR OH : rot 150:sc= 0 USER MOD Single : A 9 MET CE :methyl 165:sc= -0.0153 (180deg=-0.645) USER MOD Single : A 10 GLN : amide:sc= -0.0214 X(o=-0.021,f=-0.021) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HE2:sc= 0.153 F(o=-1,f=0.15) USER MOD Single : A 22 MET CE :methyl 164:sc= -0.0281 (180deg=-0.422) USER MOD Single : A 30 MET CE :methyl 152:sc= -0.161 (180deg=-1.33) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 42 MET CE :methyl -175:sc= 0 (180deg=-0.00456) USER MOD Single : A 50 SER OG : rot 180:sc= 0.343 USER MOD Single : A 56 ASN : amide:sc= 1.08 K(o=1.1,f=-1.9) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -2.09! C(o=-2.1!,f=-5.1!) USER MOD Single : A 79 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0578) USER MOD Single : A 86 HIS :FLIP no HD1:sc= -0.834 F(o=-2.7,f=-0.83) USER MOD Single : A 89 MET CE :methyl 171:sc= -0.397 (180deg=-0.726) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot -63:sc= 0.971 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 30:sc= -0.0434 USER MOD Single : A 101 SER OG : rot 36:sc= 1.24 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0456 USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 6 6.815 30.268 32.553 1.00 1.00 N ATOM 77 CA VAL A 6 6.336 29.373 31.504 1.00 1.00 C ATOM 78 C VAL A 6 5.238 28.448 32.021 1.00 1.00 C ATOM 79 O VAL A 6 5.345 27.903 33.118 1.00 1.00 O ATOM 80 CB VAL A 6 7.455 28.484 30.954 1.00 1.00 C ATOM 81 CG1 VAL A 6 7.002 27.731 29.684 1.00 1.00 C ATOM 82 CG2 VAL A 6 8.688 29.343 30.629 1.00 1.00 C ATOM 0 HA VAL A 6 5.953 30.021 30.716 1.00 1.00 H new ATOM 0 HB VAL A 6 7.706 27.747 31.717 1.00 1.00 H new ATOM 0 HG11 VAL A 6 7.819 27.109 29.319 1.00 1.00 H new ATOM 0 HG12 VAL A 6 6.144 27.101 29.921 1.00 1.00 H new ATOM 0 HG13 VAL A 6 6.722 28.451 28.915 1.00 1.00 H new ATOM 0 HG21 VAL A 6 9.482 28.707 30.238 1.00 1.00 H new ATOM 0 HG22 VAL A 6 8.423 30.092 29.883 1.00 1.00 H new ATOM 0 HG23 VAL A 6 9.034 29.840 31.535 1.00 1.00 H new ATOM 92 N ILE A 7 4.162 28.215 31.250 1.00 1.00 N ATOM 93 CA ILE A 7 3.092 27.305 31.646 1.00 1.00 C ATOM 94 C ILE A 7 3.098 26.125 30.697 1.00 1.00 C ATOM 95 O ILE A 7 3.034 26.311 29.485 1.00 1.00 O ATOM 96 CB ILE A 7 1.702 27.945 31.636 1.00 1.00 C ATOM 97 CG1 ILE A 7 1.695 29.243 32.480 1.00 1.00 C ATOM 98 CG2 ILE A 7 0.664 26.920 32.166 1.00 1.00 C ATOM 99 CD1 ILE A 7 0.368 30.008 32.413 1.00 1.00 C ATOM 0 H ILE A 7 4.017 28.653 30.341 1.00 1.00 H new ATOM 0 HA ILE A 7 3.287 27.006 32.676 1.00 1.00 H new ATOM 0 HB ILE A 7 1.434 28.219 30.616 1.00 1.00 H new ATOM 0 HG12 ILE A 7 1.909 28.993 33.519 1.00 1.00 H new ATOM 0 HG13 ILE A 7 2.499 29.895 32.137 1.00 1.00 H new ATOM 0 HG21 ILE A 7 -0.328 27.371 32.161 1.00 1.00 H new ATOM 0 HG22 ILE A 7 0.665 26.038 31.526 1.00 1.00 H new ATOM 0 HG23 ILE A 7 0.926 26.630 33.184 1.00 1.00 H new ATOM 0 HD11 ILE A 7 0.434 30.906 33.027 1.00 1.00 H new ATOM 0 HD12 ILE A 7 0.162 30.289 31.380 1.00 1.00 H new ATOM 0 HD13 ILE A 7 -0.437 29.373 32.784 1.00 1.00 H new ATOM 111 N GLU A 8 3.172 24.886 31.226 1.00 1.00 N ATOM 112 CA GLU A 8 3.118 23.655 30.452 1.00 1.00 C ATOM 113 C GLU A 8 1.909 22.816 30.857 1.00 1.00 C ATOM 114 O GLU A 8 1.788 22.382 32.007 1.00 1.00 O ATOM 115 CB GLU A 8 4.376 22.768 30.681 1.00 1.00 C ATOM 116 CG GLU A 8 5.704 23.406 30.211 1.00 1.00 C ATOM 117 CD GLU A 8 6.892 22.510 30.504 1.00 1.00 C ATOM 118 OE1 GLU A 8 7.078 21.472 29.808 1.00 1.00 O ATOM 119 OE2 GLU A 8 7.672 22.842 31.432 1.00 1.00 O ATOM 0 H GLU A 8 3.273 24.724 32.228 1.00 1.00 H new ATOM 0 HA GLU A 8 3.059 23.958 29.407 1.00 1.00 H new ATOM 0 HB2 GLU A 8 4.454 22.538 31.744 1.00 1.00 H new ATOM 0 HB3 GLU A 8 4.238 21.821 30.159 1.00 1.00 H new ATOM 0 HG2 GLU A 8 5.653 23.605 29.140 1.00 1.00 H new ATOM 0 HG3 GLU A 8 5.842 24.367 30.707 1.00 1.00 H new ATOM 126 N MET A 9 0.986 22.530 29.914 1.00 1.00 N ATOM 127 CA MET A 9 -0.072 21.561 30.151 1.00 1.00 C ATOM 128 C MET A 9 -0.484 20.902 28.850 1.00 1.00 C ATOM 129 O MET A 9 -0.515 21.536 27.799 1.00 1.00 O ATOM 130 CB MET A 9 -1.324 22.154 30.857 1.00 1.00 C ATOM 131 CG MET A 9 -2.033 23.304 30.116 1.00 1.00 C ATOM 132 SD MET A 9 -3.657 23.742 30.805 1.00 1.00 S ATOM 133 CE MET A 9 -3.061 24.381 32.390 1.00 1.00 C ATOM 0 H MET A 9 0.963 22.961 28.990 1.00 1.00 H new ATOM 0 HA MET A 9 0.349 20.823 30.834 1.00 1.00 H new ATOM 0 HB2 MET A 9 -2.044 21.350 31.014 1.00 1.00 H new ATOM 0 HB3 MET A 9 -1.026 22.512 31.843 1.00 1.00 H new ATOM 0 HG2 MET A 9 -1.392 24.185 30.137 1.00 1.00 H new ATOM 0 HG3 MET A 9 -2.158 23.025 29.070 1.00 1.00 H new ATOM 0 HE1 MET A 9 -3.854 24.950 32.874 1.00 1.00 H new ATOM 0 HE2 MET A 9 -2.768 23.549 33.031 1.00 1.00 H new ATOM 0 HE3 MET A 9 -2.201 25.029 32.221 1.00 1.00 H new ATOM 143 N GLN A 10 -0.802 19.589 28.887 1.00 1.00 N ATOM 144 CA GLN A 10 -1.319 18.810 27.765 1.00 1.00 C ATOM 145 C GLN A 10 -0.520 18.886 26.463 1.00 1.00 C ATOM 146 O GLN A 10 -1.082 18.854 25.372 1.00 1.00 O ATOM 147 CB GLN A 10 -2.807 19.155 27.470 1.00 1.00 C ATOM 148 CG GLN A 10 -3.770 18.968 28.665 1.00 1.00 C ATOM 149 CD GLN A 10 -3.810 17.516 29.131 1.00 1.00 C ATOM 150 OE1 GLN A 10 -3.312 17.175 30.208 1.00 1.00 O ATOM 151 NE2 GLN A 10 -4.414 16.632 28.307 1.00 1.00 N ATOM 0 H GLN A 10 -0.698 19.032 29.735 1.00 1.00 H new ATOM 0 HA GLN A 10 -1.217 17.782 28.113 1.00 1.00 H new ATOM 0 HB2 GLN A 10 -2.865 20.191 27.135 1.00 1.00 H new ATOM 0 HB3 GLN A 10 -3.152 18.533 26.644 1.00 1.00 H new ATOM 0 HG2 GLN A 10 -3.456 19.607 29.490 1.00 1.00 H new ATOM 0 HG3 GLN A 10 -4.772 19.287 28.379 1.00 1.00 H new ATOM 0 HE21 GLN A 10 -4.815 16.949 27.424 1.00 1.00 H new ATOM 0 HE22 GLN A 10 -4.469 15.647 28.568 1.00 1.00 H new ATOM 160 N GLY A 11 0.825 18.974 26.528 1.00 1.00 N ATOM 161 CA GLY A 11 1.656 19.104 25.333 1.00 1.00 C ATOM 162 C GLY A 11 1.748 20.497 24.760 1.00 1.00 C ATOM 163 O GLY A 11 2.327 20.700 23.696 1.00 1.00 O ATOM 0 H GLY A 11 1.351 18.956 27.402 1.00 1.00 H new ATOM 0 HA2 GLY A 11 2.662 18.760 25.571 1.00 1.00 H new ATOM 0 HA3 GLY A 11 1.265 18.438 24.564 1.00 1.00 H new ATOM 167 N LEU A 12 1.180 21.501 25.448 1.00 1.00 N ATOM 168 CA LEU A 12 1.178 22.885 25.027 1.00 1.00 C ATOM 169 C LEU A 12 1.949 23.710 26.039 1.00 1.00 C ATOM 170 O LEU A 12 1.732 23.599 27.247 1.00 1.00 O ATOM 171 CB LEU A 12 -0.284 23.397 24.954 1.00 1.00 C ATOM 172 CG LEU A 12 -0.481 24.804 24.351 1.00 1.00 C ATOM 173 CD1 LEU A 12 -0.057 24.869 22.878 1.00 1.00 C ATOM 174 CD2 LEU A 12 -1.943 25.252 24.503 1.00 1.00 C ATOM 0 H LEU A 12 0.700 21.353 26.336 1.00 1.00 H new ATOM 0 HA LEU A 12 1.644 22.974 24.046 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -0.867 22.687 24.367 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -0.699 23.394 25.962 1.00 1.00 H new ATOM 0 HG LEU A 12 0.164 25.485 24.906 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -0.214 25.879 22.498 1.00 1.00 H new ATOM 0 HD12 LEU A 12 0.998 24.609 22.791 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -0.653 24.166 22.296 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.066 26.246 24.073 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -2.595 24.549 23.984 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -2.207 25.279 25.560 1.00 1.00 H new ATOM 186 N SER A 13 2.891 24.557 25.578 1.00 1.00 N ATOM 187 CA SER A 13 3.689 25.393 26.460 1.00 1.00 C ATOM 188 C SER A 13 3.679 26.850 26.045 1.00 1.00 C ATOM 189 O SER A 13 3.799 27.197 24.872 1.00 1.00 O ATOM 190 CB SER A 13 5.148 24.904 26.647 1.00 1.00 C ATOM 191 OG SER A 13 5.894 24.908 25.429 1.00 1.00 O ATOM 0 H SER A 13 3.110 24.671 24.588 1.00 1.00 H new ATOM 0 HA SER A 13 3.197 25.302 27.429 1.00 1.00 H new ATOM 0 HB2 SER A 13 5.649 25.540 27.376 1.00 1.00 H new ATOM 0 HB3 SER A 13 5.138 23.895 27.058 1.00 1.00 H new ATOM 0 HG SER A 13 6.806 24.593 25.603 1.00 1.00 H new ATOM 197 N LEU A 14 3.513 27.761 27.019 1.00 1.00 N ATOM 198 CA LEU A 14 3.429 29.190 26.770 1.00 1.00 C ATOM 199 C LEU A 14 4.402 29.922 27.674 1.00 1.00 C ATOM 200 O LEU A 14 4.369 29.763 28.891 1.00 1.00 O ATOM 201 CB LEU A 14 1.964 29.651 26.988 1.00 1.00 C ATOM 202 CG LEU A 14 1.631 31.144 26.772 1.00 1.00 C ATOM 203 CD1 LEU A 14 0.159 31.300 26.369 1.00 1.00 C ATOM 204 CD2 LEU A 14 1.877 32.009 28.015 1.00 1.00 C ATOM 0 H LEU A 14 3.434 27.513 28.005 1.00 1.00 H new ATOM 0 HA LEU A 14 3.707 29.421 25.741 1.00 1.00 H new ATOM 0 HB2 LEU A 14 1.328 29.068 26.322 1.00 1.00 H new ATOM 0 HB3 LEU A 14 1.681 29.390 28.008 1.00 1.00 H new ATOM 0 HG LEU A 14 2.300 31.489 25.984 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -0.067 32.356 26.219 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -0.025 30.754 25.444 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -0.478 30.901 27.158 1.00 1.00 H new ATOM 0 HD21 LEU A 14 1.623 33.045 27.793 1.00 1.00 H new ATOM 0 HD22 LEU A 14 1.256 31.651 28.836 1.00 1.00 H new ATOM 0 HD23 LEU A 14 2.927 31.946 28.300 1.00 1.00 H new ATOM 216 N ASP A 15 5.300 30.741 27.091 1.00 1.00 N ATOM 217 CA ASP A 15 6.342 31.482 27.775 1.00 1.00 C ATOM 218 C ASP A 15 6.041 32.981 27.624 1.00 1.00 C ATOM 219 O ASP A 15 6.180 33.534 26.524 1.00 1.00 O ATOM 220 CB ASP A 15 7.682 31.056 27.105 1.00 1.00 C ATOM 221 CG ASP A 15 8.911 31.901 27.390 1.00 1.00 C ATOM 222 OD1 ASP A 15 9.496 31.805 28.494 1.00 1.00 O ATOM 223 OD2 ASP A 15 9.357 32.641 26.473 1.00 1.00 O ATOM 0 H ASP A 15 5.306 30.901 26.084 1.00 1.00 H new ATOM 0 HA ASP A 15 6.400 31.278 28.844 1.00 1.00 H new ATOM 0 HB2 ASP A 15 7.900 30.033 27.411 1.00 1.00 H new ATOM 0 HB3 ASP A 15 7.528 31.040 26.026 1.00 1.00 H new ATOM 228 N PRO A 16 5.630 33.700 28.677 1.00 1.00 N ATOM 229 CA PRO A 16 5.407 35.141 28.618 1.00 1.00 C ATOM 230 C PRO A 16 6.644 35.952 28.316 1.00 1.00 C ATOM 231 O PRO A 16 6.513 37.015 27.716 1.00 1.00 O ATOM 232 CB PRO A 16 4.822 35.492 29.992 1.00 1.00 C ATOM 233 CG PRO A 16 4.087 34.214 30.395 1.00 1.00 C ATOM 234 CD PRO A 16 5.034 33.125 29.891 1.00 1.00 C ATOM 0 HA PRO A 16 4.743 35.390 27.790 1.00 1.00 H new ATOM 0 HB2 PRO A 16 5.602 35.751 30.708 1.00 1.00 H new ATOM 0 HB3 PRO A 16 4.146 36.345 29.936 1.00 1.00 H new ATOM 0 HG2 PRO A 16 3.935 34.154 31.473 1.00 1.00 H new ATOM 0 HG3 PRO A 16 3.104 34.146 29.930 1.00 1.00 H new ATOM 0 HD2 PRO A 16 5.795 32.884 30.633 1.00 1.00 H new ATOM 0 HD3 PRO A 16 4.498 32.201 29.673 1.00 1.00 H new ATOM 242 N THR A 17 7.851 35.502 28.717 1.00 1.00 N ATOM 243 CA THR A 17 9.077 36.294 28.587 1.00 1.00 C ATOM 244 C THR A 17 9.405 36.666 27.146 1.00 1.00 C ATOM 245 O THR A 17 9.701 37.826 26.854 1.00 1.00 O ATOM 246 CB THR A 17 10.314 35.635 29.198 1.00 1.00 C ATOM 247 OG1 THR A 17 10.089 35.201 30.534 1.00 1.00 O ATOM 248 CG2 THR A 17 11.472 36.636 29.290 1.00 1.00 C ATOM 0 H THR A 17 7.996 34.584 29.137 1.00 1.00 H new ATOM 0 HA THR A 17 8.844 37.196 29.154 1.00 1.00 H new ATOM 0 HB THR A 17 10.544 34.791 28.548 1.00 1.00 H new ATOM 0 HG1 THR A 17 10.904 34.785 30.884 1.00 1.00 H new ATOM 0 HG21 THR A 17 12.342 36.147 29.728 1.00 1.00 H new ATOM 0 HG22 THR A 17 11.722 36.996 28.292 1.00 1.00 H new ATOM 0 HG23 THR A 17 11.176 37.478 29.916 1.00 1.00 H new ATOM 256 N SER A 18 9.293 35.712 26.192 1.00 1.00 N ATOM 257 CA SER A 18 9.528 35.991 24.770 1.00 1.00 C ATOM 258 C SER A 18 8.240 36.072 23.980 1.00 1.00 C ATOM 259 O SER A 18 8.254 36.337 22.778 1.00 1.00 O ATOM 260 CB SER A 18 10.420 34.932 24.066 1.00 1.00 C ATOM 261 OG SER A 18 11.748 34.923 24.596 1.00 1.00 O ATOM 0 H SER A 18 9.041 34.744 26.390 1.00 1.00 H new ATOM 0 HA SER A 18 10.041 36.952 24.778 1.00 1.00 H new ATOM 0 HB2 SER A 18 9.974 33.944 24.184 1.00 1.00 H new ATOM 0 HB3 SER A 18 10.456 35.140 22.997 1.00 1.00 H new ATOM 0 HG SER A 18 12.281 34.244 24.132 1.00 1.00 H new ATOM 267 N HIS A 19 7.085 35.855 24.643 1.00 1.00 N ATOM 268 CA HIS A 19 5.741 35.997 24.092 1.00 1.00 C ATOM 269 C HIS A 19 5.453 34.881 23.118 1.00 1.00 C ATOM 270 O HIS A 19 4.861 35.079 22.057 1.00 1.00 O ATOM 271 CB HIS A 19 5.442 37.380 23.445 1.00 1.00 C ATOM 272 CG HIS A 19 5.637 38.546 24.374 1.00 1.00 C ATOM 273 ND1 HIS A 19 5.395 38.664 25.698 1.00 1.00 N flip ATOM 274 CD2 HIS A 19 5.935 39.797 23.914 1.00 1.00 C flip ATOM 275 CE1 HIS A 19 5.536 39.991 26.013 1.00 1.00 C flip ATOM 276 NE2 HIS A 19 5.866 40.658 24.917 1.00 1.00 N flip ATOM 0 H HIS A 19 7.075 35.563 25.620 1.00 1.00 H new ATOM 0 HA HIS A 19 5.068 35.932 24.947 1.00 1.00 H new ATOM 0 HB2 HIS A 19 6.087 37.510 22.576 1.00 1.00 H new ATOM 0 HB3 HIS A 19 4.414 37.385 23.083 1.00 1.00 H new ATOM 0 HD1 HIS A 19 5.153 37.910 26.341 1.00 1.00 H new ATOM 0 HD2 HIS A 19 6.187 40.045 22.893 1.00 1.00 H new ATOM 0 HE1 HIS A 19 5.400 40.422 26.994 1.00 1.00 H new ATOM 285 N ARG A 20 5.904 33.667 23.468 1.00 1.00 N ATOM 286 CA ARG A 20 5.965 32.554 22.548 1.00 1.00 C ATOM 287 C ARG A 20 5.185 31.343 23.042 1.00 1.00 C ATOM 288 O ARG A 20 5.218 30.969 24.214 1.00 1.00 O ATOM 289 CB ARG A 20 7.443 32.216 22.226 1.00 1.00 C ATOM 290 CG ARG A 20 8.272 31.678 23.406 1.00 1.00 C ATOM 291 CD ARG A 20 9.734 31.349 23.067 1.00 1.00 C ATOM 292 NE ARG A 20 10.425 31.240 24.387 1.00 1.00 N ATOM 293 CZ ARG A 20 11.563 30.570 24.608 1.00 1.00 C ATOM 294 NH1 ARG A 20 12.315 30.084 23.628 1.00 1.00 N ATOM 295 NH2 ARG A 20 11.973 30.392 25.862 1.00 1.00 N ATOM 0 H ARG A 20 6.235 33.443 24.406 1.00 1.00 H new ATOM 0 HA ARG A 20 5.474 32.853 21.622 1.00 1.00 H new ATOM 0 HB2 ARG A 20 7.462 31.478 21.425 1.00 1.00 H new ATOM 0 HB3 ARG A 20 7.928 33.114 21.844 1.00 1.00 H new ATOM 0 HG2 ARG A 20 8.257 32.415 24.209 1.00 1.00 H new ATOM 0 HG3 ARG A 20 7.791 30.778 23.790 1.00 1.00 H new ATOM 0 HD2 ARG A 20 9.808 30.418 22.505 1.00 1.00 H new ATOM 0 HD3 ARG A 20 10.181 32.129 22.451 1.00 1.00 H new ATOM 0 HE ARG A 20 9.996 31.713 25.182 1.00 1.00 H new ATOM 0 HH11 ARG A 20 12.033 30.215 22.656 1.00 1.00 H new ATOM 0 HH12 ARG A 20 13.174 29.580 23.847 1.00 1.00 H new ATOM 0 HH21 ARG A 20 11.423 30.764 26.636 1.00 1.00 H new ATOM 0 HH22 ARG A 20 12.838 29.884 26.049 1.00 1.00 H new ATOM 309 N VAL A 21 4.430 30.710 22.125 1.00 1.00 N ATOM 310 CA VAL A 21 3.655 29.505 22.382 1.00 1.00 C ATOM 311 C VAL A 21 4.271 28.383 21.560 1.00 1.00 C ATOM 312 O VAL A 21 4.616 28.569 20.392 1.00 1.00 O ATOM 313 CB VAL A 21 2.185 29.659 21.990 1.00 1.00 C ATOM 314 CG1 VAL A 21 1.376 28.416 22.413 1.00 1.00 C ATOM 315 CG2 VAL A 21 1.608 30.909 22.677 1.00 1.00 C ATOM 0 H VAL A 21 4.347 31.039 21.163 1.00 1.00 H new ATOM 0 HA VAL A 21 3.681 29.295 23.451 1.00 1.00 H new ATOM 0 HB VAL A 21 2.117 29.763 20.907 1.00 1.00 H new ATOM 0 HG11 VAL A 21 0.333 28.546 22.125 1.00 1.00 H new ATOM 0 HG12 VAL A 21 1.782 27.533 21.920 1.00 1.00 H new ATOM 0 HG13 VAL A 21 1.441 28.290 23.494 1.00 1.00 H new ATOM 0 HG21 VAL A 21 0.560 31.024 22.401 1.00 1.00 H new ATOM 0 HG22 VAL A 21 1.689 30.800 23.758 1.00 1.00 H new ATOM 0 HG23 VAL A 21 2.166 31.790 22.358 1.00 1.00 H new ATOM 325 N MET A 22 4.451 27.189 22.149 1.00 1.00 N ATOM 326 CA MET A 22 5.026 26.041 21.477 1.00 1.00 C ATOM 327 C MET A 22 4.211 24.806 21.812 1.00 1.00 C ATOM 328 O MET A 22 3.505 24.747 22.818 1.00 1.00 O ATOM 329 CB MET A 22 6.492 25.778 21.923 1.00 1.00 C ATOM 330 CG MET A 22 7.477 26.931 21.634 1.00 1.00 C ATOM 331 SD MET A 22 9.165 26.652 22.257 1.00 1.00 S ATOM 332 CE MET A 22 9.611 25.267 21.168 1.00 1.00 C ATOM 0 H MET A 22 4.194 27.005 23.119 1.00 1.00 H new ATOM 0 HA MET A 22 5.016 26.251 20.408 1.00 1.00 H new ATOM 0 HB2 MET A 22 6.499 25.573 22.994 1.00 1.00 H new ATOM 0 HB3 MET A 22 6.852 24.878 21.424 1.00 1.00 H new ATOM 0 HG2 MET A 22 7.522 27.093 20.557 1.00 1.00 H new ATOM 0 HG3 MET A 22 7.086 27.847 22.077 1.00 1.00 H new ATOM 0 HE1 MET A 22 10.692 25.126 21.183 1.00 1.00 H new ATOM 0 HE2 MET A 22 9.121 24.358 21.517 1.00 1.00 H new ATOM 0 HE3 MET A 22 9.288 25.486 20.150 1.00 1.00 H new ATOM 342 N ALA A 23 4.294 23.771 20.961 1.00 1.00 N ATOM 343 CA ALA A 23 3.739 22.462 21.252 1.00 1.00 C ATOM 344 C ALA A 23 4.850 21.426 21.195 1.00 1.00 C ATOM 345 O ALA A 23 5.393 21.121 20.133 1.00 1.00 O ATOM 346 CB ALA A 23 2.630 22.103 20.242 1.00 1.00 C ATOM 0 H ALA A 23 4.752 23.830 20.051 1.00 1.00 H new ATOM 0 HA ALA A 23 3.299 22.476 22.249 1.00 1.00 H new ATOM 0 HB1 ALA A 23 2.228 21.118 20.478 1.00 1.00 H new ATOM 0 HB2 ALA A 23 1.833 22.844 20.299 1.00 1.00 H new ATOM 0 HB3 ALA A 23 3.045 22.093 19.234 1.00 1.00 H new ATOM 352 N GLY A 24 5.248 20.843 22.343 1.00 1.00 N ATOM 353 CA GLY A 24 6.463 20.029 22.435 1.00 1.00 C ATOM 354 C GLY A 24 7.723 20.797 22.115 1.00 1.00 C ATOM 355 O GLY A 24 8.153 21.655 22.889 1.00 1.00 O ATOM 0 H GLY A 24 4.737 20.925 23.222 1.00 1.00 H new ATOM 0 HA2 GLY A 24 6.542 19.619 23.442 1.00 1.00 H new ATOM 0 HA3 GLY A 24 6.378 19.184 21.752 1.00 1.00 H new ATOM 359 N GLU A 25 8.335 20.516 20.950 1.00 1.00 N ATOM 360 CA GLU A 25 9.426 21.304 20.402 1.00 1.00 C ATOM 361 C GLU A 25 9.035 22.025 19.110 1.00 1.00 C ATOM 362 O GLU A 25 9.891 22.540 18.392 1.00 1.00 O ATOM 363 CB GLU A 25 10.706 20.447 20.199 1.00 1.00 C ATOM 364 CG GLU A 25 10.609 19.317 19.145 1.00 1.00 C ATOM 365 CD GLU A 25 11.885 18.498 19.099 1.00 1.00 C ATOM 366 OE1 GLU A 25 12.961 19.047 18.745 1.00 1.00 O ATOM 367 OE2 GLU A 25 11.829 17.280 19.420 1.00 1.00 O ATOM 0 H GLU A 25 8.074 19.723 20.364 1.00 1.00 H new ATOM 0 HA GLU A 25 9.651 22.073 21.141 1.00 1.00 H new ATOM 0 HB2 GLU A 25 11.522 21.111 19.916 1.00 1.00 H new ATOM 0 HB3 GLU A 25 10.976 20.001 21.156 1.00 1.00 H new ATOM 0 HG2 GLU A 25 9.766 18.668 19.381 1.00 1.00 H new ATOM 0 HG3 GLU A 25 10.415 19.748 18.163 1.00 1.00 H new ATOM 374 N GLU A 26 7.730 22.124 18.780 1.00 1.00 N ATOM 375 CA GLU A 26 7.239 22.814 17.594 1.00 1.00 C ATOM 376 C GLU A 26 6.649 24.179 17.948 1.00 1.00 C ATOM 377 O GLU A 26 5.613 24.230 18.611 1.00 1.00 O ATOM 378 CB GLU A 26 6.125 21.989 16.899 1.00 1.00 C ATOM 379 CG GLU A 26 6.664 20.873 15.975 1.00 1.00 C ATOM 380 CD GLU A 26 7.314 21.461 14.744 1.00 1.00 C ATOM 381 OE1 GLU A 26 6.660 22.266 14.026 1.00 1.00 O ATOM 382 OE2 GLU A 26 8.488 21.125 14.435 1.00 1.00 O ATOM 0 H GLU A 26 6.986 21.717 19.346 1.00 1.00 H new ATOM 0 HA GLU A 26 8.094 22.939 16.929 1.00 1.00 H new ATOM 0 HB2 GLU A 26 5.487 21.541 17.661 1.00 1.00 H new ATOM 0 HB3 GLU A 26 5.498 22.662 16.314 1.00 1.00 H new ATOM 0 HG2 GLU A 26 7.387 20.264 16.517 1.00 1.00 H new ATOM 0 HG3 GLU A 26 5.848 20.213 15.681 1.00 1.00 H new ATOM 389 N PRO A 27 7.226 25.312 17.566 1.00 1.00 N ATOM 390 CA PRO A 27 6.583 26.623 17.648 1.00 1.00 C ATOM 391 C PRO A 27 5.192 26.786 17.049 1.00 1.00 C ATOM 392 O PRO A 27 4.892 26.187 16.013 1.00 1.00 O ATOM 393 CB PRO A 27 7.572 27.552 16.950 1.00 1.00 C ATOM 394 CG PRO A 27 8.931 26.905 17.200 1.00 1.00 C ATOM 395 CD PRO A 27 8.607 25.420 17.085 1.00 1.00 C ATOM 0 HA PRO A 27 6.381 26.832 18.698 1.00 1.00 H new ATOM 0 HB2 PRO A 27 7.359 27.633 15.884 1.00 1.00 H new ATOM 0 HB3 PRO A 27 7.529 28.561 17.361 1.00 1.00 H new ATOM 0 HG2 PRO A 27 9.672 27.218 16.465 1.00 1.00 H new ATOM 0 HG3 PRO A 27 9.329 27.160 18.182 1.00 1.00 H new ATOM 0 HD2 PRO A 27 8.698 25.071 16.056 1.00 1.00 H new ATOM 0 HD3 PRO A 27 9.286 24.817 17.687 1.00 1.00 H new ATOM 403 N LEU A 28 4.368 27.654 17.667 1.00 1.00 N ATOM 404 CA LEU A 28 3.067 28.079 17.191 1.00 1.00 C ATOM 405 C LEU A 28 3.026 29.603 17.190 1.00 1.00 C ATOM 406 O LEU A 28 3.853 30.262 17.821 1.00 1.00 O ATOM 407 CB LEU A 28 1.931 27.549 18.104 1.00 1.00 C ATOM 408 CG LEU A 28 1.834 26.011 18.172 1.00 1.00 C ATOM 409 CD1 LEU A 28 0.795 25.592 19.219 1.00 1.00 C ATOM 410 CD2 LEU A 28 1.483 25.396 16.810 1.00 1.00 C ATOM 0 H LEU A 28 4.618 28.091 18.554 1.00 1.00 H new ATOM 0 HA LEU A 28 2.916 27.680 16.188 1.00 1.00 H new ATOM 0 HB2 LEU A 28 2.081 27.936 19.112 1.00 1.00 H new ATOM 0 HB3 LEU A 28 0.980 27.946 17.748 1.00 1.00 H new ATOM 0 HG LEU A 28 2.815 25.635 18.461 1.00 1.00 H new ATOM 0 HD11 LEU A 28 0.736 24.504 19.258 1.00 1.00 H new ATOM 0 HD12 LEU A 28 1.089 25.974 20.197 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -0.179 25.999 18.948 1.00 1.00 H new ATOM 0 HD21 LEU A 28 1.425 24.312 16.904 1.00 1.00 H new ATOM 0 HD22 LEU A 28 0.521 25.783 16.473 1.00 1.00 H new ATOM 0 HD23 LEU A 28 2.253 25.656 16.084 1.00 1.00 H new ATOM 422 N GLU A 29 2.071 30.203 16.452 1.00 1.00 N ATOM 423 CA GLU A 29 2.001 31.637 16.201 1.00 1.00 C ATOM 424 C GLU A 29 0.605 32.184 16.474 1.00 1.00 C ATOM 425 O GLU A 29 -0.396 31.553 16.137 1.00 1.00 O ATOM 426 CB GLU A 29 2.344 31.949 14.722 1.00 1.00 C ATOM 427 CG GLU A 29 3.803 31.607 14.343 1.00 1.00 C ATOM 428 CD GLU A 29 4.049 31.793 12.862 1.00 1.00 C ATOM 429 OE1 GLU A 29 3.942 32.943 12.360 1.00 1.00 O ATOM 430 OE2 GLU A 29 4.359 30.789 12.166 1.00 1.00 O ATOM 0 H GLU A 29 1.314 29.683 16.008 1.00 1.00 H new ATOM 0 HA GLU A 29 2.720 32.108 16.871 1.00 1.00 H new ATOM 0 HB2 GLU A 29 1.668 31.390 14.075 1.00 1.00 H new ATOM 0 HB3 GLU A 29 2.166 33.007 14.531 1.00 1.00 H new ATOM 0 HG2 GLU A 29 4.485 32.241 14.909 1.00 1.00 H new ATOM 0 HG3 GLU A 29 4.021 30.576 14.622 1.00 1.00 H new ATOM 437 N MET A 30 0.493 33.381 17.086 1.00 1.00 N ATOM 438 CA MET A 30 -0.778 34.040 17.308 1.00 1.00 C ATOM 439 C MET A 30 -0.594 35.520 17.615 1.00 1.00 C ATOM 440 O MET A 30 0.487 35.983 17.981 1.00 1.00 O ATOM 441 CB MET A 30 -1.573 33.378 18.458 1.00 1.00 C ATOM 442 CG MET A 30 -0.865 33.371 19.830 1.00 1.00 C ATOM 443 SD MET A 30 -1.721 32.382 21.095 1.00 1.00 S ATOM 444 CE MET A 30 -1.408 30.766 20.324 1.00 1.00 C ATOM 0 H MET A 30 1.294 33.907 17.436 1.00 1.00 H new ATOM 0 HA MET A 30 -1.344 33.936 16.382 1.00 1.00 H new ATOM 0 HB2 MET A 30 -2.527 33.894 18.562 1.00 1.00 H new ATOM 0 HB3 MET A 30 -1.797 32.349 18.178 1.00 1.00 H new ATOM 0 HG2 MET A 30 0.147 32.985 19.704 1.00 1.00 H new ATOM 0 HG3 MET A 30 -0.773 34.397 20.186 1.00 1.00 H new ATOM 0 HE1 MET A 30 -1.380 29.995 21.094 1.00 1.00 H new ATOM 0 HE2 MET A 30 -2.204 30.541 19.614 1.00 1.00 H new ATOM 0 HE3 MET A 30 -0.452 30.792 19.801 1.00 1.00 H new ATOM 454 N GLY A 31 -1.655 36.341 17.475 1.00 1.00 N ATOM 455 CA GLY A 31 -1.627 37.721 17.927 1.00 1.00 C ATOM 456 C GLY A 31 -1.684 37.880 19.435 1.00 1.00 C ATOM 457 O GLY A 31 -1.971 36.928 20.164 1.00 1.00 O ATOM 0 H GLY A 31 -2.538 36.058 17.050 1.00 1.00 H new ATOM 0 HA2 GLY A 31 -0.718 38.195 17.556 1.00 1.00 H new ATOM 0 HA3 GLY A 31 -2.468 38.254 17.484 1.00 1.00 H new ATOM 461 N PRO A 32 -1.464 39.080 19.942 1.00 1.00 N ATOM 462 CA PRO A 32 -1.366 39.345 21.374 1.00 1.00 C ATOM 463 C PRO A 32 -2.703 39.217 22.076 1.00 1.00 C ATOM 464 O PRO A 32 -2.737 38.828 23.240 1.00 1.00 O ATOM 465 CB PRO A 32 -0.773 40.765 21.461 1.00 1.00 C ATOM 466 CG PRO A 32 -1.035 41.377 20.082 1.00 1.00 C ATOM 467 CD PRO A 32 -0.941 40.182 19.149 1.00 1.00 C ATOM 0 HA PRO A 32 -0.738 38.616 21.887 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -1.250 41.346 22.250 1.00 1.00 H new ATOM 0 HB3 PRO A 32 0.293 40.736 21.686 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -2.015 41.851 20.031 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -0.298 42.141 19.834 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -1.526 40.335 18.242 1.00 1.00 H new ATOM 0 HD3 PRO A 32 0.087 39.998 18.837 1.00 1.00 H new ATOM 475 N THR A 33 -3.837 39.524 21.418 1.00 1.00 N ATOM 476 CA THR A 33 -5.175 39.336 21.990 1.00 1.00 C ATOM 477 C THR A 33 -5.472 37.868 22.241 1.00 1.00 C ATOM 478 O THR A 33 -6.027 37.480 23.270 1.00 1.00 O ATOM 479 CB THR A 33 -6.291 39.956 21.155 1.00 1.00 C ATOM 480 OG1 THR A 33 -5.932 41.277 20.777 1.00 1.00 O ATOM 481 CG2 THR A 33 -7.587 40.087 21.968 1.00 1.00 C ATOM 0 H THR A 33 -3.846 39.910 20.474 1.00 1.00 H new ATOM 0 HA THR A 33 -5.156 39.868 22.941 1.00 1.00 H new ATOM 0 HB THR A 33 -6.440 39.307 20.292 1.00 1.00 H new ATOM 0 HG1 THR A 33 -6.651 41.670 20.240 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.363 40.532 21.346 1.00 1.00 H new ATOM 0 HG22 THR A 33 -7.909 39.100 22.300 1.00 1.00 H new ATOM 0 HG23 THR A 33 -7.409 40.722 22.836 1.00 1.00 H new ATOM 489 N GLU A 34 -5.055 36.997 21.303 1.00 1.00 N ATOM 490 CA GLU A 34 -5.092 35.550 21.424 1.00 1.00 C ATOM 491 C GLU A 34 -4.159 35.048 22.525 1.00 1.00 C ATOM 492 O GLU A 34 -4.534 34.197 23.329 1.00 1.00 O ATOM 493 CB GLU A 34 -4.753 34.889 20.056 1.00 1.00 C ATOM 494 CG GLU A 34 -5.934 34.743 19.048 1.00 1.00 C ATOM 495 CD GLU A 34 -6.705 36.014 18.732 1.00 1.00 C ATOM 496 OE1 GLU A 34 -7.448 36.493 19.624 1.00 1.00 O ATOM 497 OE2 GLU A 34 -6.629 36.539 17.590 1.00 1.00 O ATOM 0 H GLU A 34 -4.670 37.306 20.410 1.00 1.00 H new ATOM 0 HA GLU A 34 -6.104 35.262 21.710 1.00 1.00 H new ATOM 0 HB2 GLU A 34 -3.966 35.474 19.579 1.00 1.00 H new ATOM 0 HB3 GLU A 34 -4.342 33.898 20.247 1.00 1.00 H new ATOM 0 HG2 GLU A 34 -5.541 34.340 18.115 1.00 1.00 H new ATOM 0 HG3 GLU A 34 -6.634 34.007 19.444 1.00 1.00 H new ATOM 504 N PHE A 35 -2.932 35.606 22.627 1.00 1.00 N ATOM 505 CA PHE A 35 -1.965 35.289 23.671 1.00 1.00 C ATOM 506 C PHE A 35 -2.463 35.617 25.084 1.00 1.00 C ATOM 507 O PHE A 35 -2.381 34.793 25.994 1.00 1.00 O ATOM 508 CB PHE A 35 -0.638 36.045 23.375 1.00 1.00 C ATOM 509 CG PHE A 35 0.523 35.514 24.174 1.00 1.00 C ATOM 510 CD1 PHE A 35 1.303 34.459 23.672 1.00 1.00 C ATOM 511 CD2 PHE A 35 0.850 36.067 25.424 1.00 1.00 C ATOM 512 CE1 PHE A 35 2.383 33.961 24.411 1.00 1.00 C ATOM 513 CE2 PHE A 35 1.927 35.567 26.168 1.00 1.00 C ATOM 514 CZ PHE A 35 2.693 34.512 25.659 1.00 1.00 C ATOM 0 H PHE A 35 -2.591 36.303 21.965 1.00 1.00 H new ATOM 0 HA PHE A 35 -1.806 34.211 23.653 1.00 1.00 H new ATOM 0 HB2 PHE A 35 -0.409 35.966 22.312 1.00 1.00 H new ATOM 0 HB3 PHE A 35 -0.771 37.104 23.595 1.00 1.00 H new ATOM 0 HD1 PHE A 35 1.068 34.029 22.710 1.00 1.00 H new ATOM 0 HD2 PHE A 35 0.265 36.886 25.815 1.00 1.00 H new ATOM 0 HE1 PHE A 35 2.978 33.150 24.017 1.00 1.00 H new ATOM 0 HE2 PHE A 35 2.165 35.994 27.131 1.00 1.00 H new ATOM 0 HZ PHE A 35 3.523 34.123 26.230 1.00 1.00 H new ATOM 524 N LYS A 36 -3.057 36.814 25.289 1.00 1.00 N ATOM 525 CA LYS A 36 -3.654 37.221 26.555 1.00 1.00 C ATOM 526 C LYS A 36 -4.812 36.324 26.983 1.00 1.00 C ATOM 527 O LYS A 36 -4.928 35.943 28.152 1.00 1.00 O ATOM 528 CB LYS A 36 -4.154 38.688 26.490 1.00 1.00 C ATOM 529 CG LYS A 36 -3.012 39.718 26.435 1.00 1.00 C ATOM 530 CD LYS A 36 -3.487 41.181 26.329 1.00 1.00 C ATOM 531 CE LYS A 36 -4.185 41.520 25.005 1.00 1.00 C ATOM 532 NZ LYS A 36 -4.420 42.966 24.871 1.00 1.00 N ATOM 0 H LYS A 36 -3.130 37.525 24.562 1.00 1.00 H new ATOM 0 HA LYS A 36 -2.862 37.128 27.298 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -4.787 38.810 25.611 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -4.776 38.892 27.362 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -2.397 39.611 27.329 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -2.374 39.492 25.581 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -4.171 41.390 27.152 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -2.628 41.840 26.453 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -3.575 41.171 24.172 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -5.136 40.990 24.948 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -4.893 43.158 23.965 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -5.023 43.294 25.653 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -3.511 43.470 24.900 1.00 1.00 H new ATOM 546 N LEU A 37 -5.687 35.939 26.028 1.00 1.00 N ATOM 547 CA LEU A 37 -6.756 34.976 26.248 1.00 1.00 C ATOM 548 C LEU A 37 -6.239 33.593 26.615 1.00 1.00 C ATOM 549 O LEU A 37 -6.686 32.980 27.582 1.00 1.00 O ATOM 550 CB LEU A 37 -7.642 34.883 24.979 1.00 1.00 C ATOM 551 CG LEU A 37 -8.842 33.910 25.049 1.00 1.00 C ATOM 552 CD1 LEU A 37 -9.807 34.228 26.201 1.00 1.00 C ATOM 553 CD2 LEU A 37 -9.606 33.925 23.717 1.00 1.00 C ATOM 0 H LEU A 37 -5.659 36.301 25.075 1.00 1.00 H new ATOM 0 HA LEU A 37 -7.341 35.334 27.095 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -8.023 35.879 24.754 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -7.010 34.587 24.142 1.00 1.00 H new ATOM 0 HG LEU A 37 -8.432 32.918 25.240 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -10.628 33.510 26.197 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -9.274 34.165 27.150 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -10.205 35.235 26.075 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -10.450 33.237 23.774 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -9.972 34.932 23.519 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.940 33.616 22.912 1.00 1.00 H new ATOM 565 N LEU A 38 -5.226 33.084 25.885 1.00 1.00 N ATOM 566 CA LEU A 38 -4.600 31.805 26.163 1.00 1.00 C ATOM 567 C LEU A 38 -3.885 31.757 27.508 1.00 1.00 C ATOM 568 O LEU A 38 -4.005 30.787 28.252 1.00 1.00 O ATOM 569 CB LEU A 38 -3.657 31.397 25.008 1.00 1.00 C ATOM 570 CG LEU A 38 -3.125 29.947 25.068 1.00 1.00 C ATOM 571 CD1 LEU A 38 -4.243 28.892 25.150 1.00 1.00 C ATOM 572 CD2 LEU A 38 -2.239 29.658 23.851 1.00 1.00 C ATOM 0 H LEU A 38 -4.826 33.566 25.080 1.00 1.00 H new ATOM 0 HA LEU A 38 -5.407 31.075 26.233 1.00 1.00 H new ATOM 0 HB2 LEU A 38 -4.185 31.533 24.065 1.00 1.00 H new ATOM 0 HB3 LEU A 38 -2.806 32.078 24.998 1.00 1.00 H new ATOM 0 HG LEU A 38 -2.544 29.871 25.987 1.00 1.00 H new ATOM 0 HD11 LEU A 38 -3.801 27.896 25.189 1.00 1.00 H new ATOM 0 HD12 LEU A 38 -4.838 29.061 26.048 1.00 1.00 H new ATOM 0 HD13 LEU A 38 -4.883 28.971 24.271 1.00 1.00 H new ATOM 0 HD21 LEU A 38 -1.870 28.634 23.904 1.00 1.00 H new ATOM 0 HD22 LEU A 38 -2.821 29.787 22.938 1.00 1.00 H new ATOM 0 HD23 LEU A 38 -1.395 30.348 23.843 1.00 1.00 H new ATOM 584 N HIS A 39 -3.171 32.832 27.902 1.00 1.00 N ATOM 585 CA HIS A 39 -2.577 32.962 29.228 1.00 1.00 C ATOM 586 C HIS A 39 -3.613 32.936 30.354 1.00 1.00 C ATOM 587 O HIS A 39 -3.431 32.277 31.378 1.00 1.00 O ATOM 588 CB HIS A 39 -1.728 34.256 29.322 1.00 1.00 C ATOM 589 CG HIS A 39 -0.872 34.364 30.556 1.00 1.00 C ATOM 590 ND1 HIS A 39 -0.885 35.532 31.304 1.00 1.00 N ATOM 591 CD2 HIS A 39 0.042 33.495 31.063 1.00 1.00 C ATOM 592 CE1 HIS A 39 0.018 35.341 32.255 1.00 1.00 C ATOM 593 NE2 HIS A 39 0.608 34.128 32.149 1.00 1.00 N ATOM 0 H HIS A 39 -2.995 33.634 27.297 1.00 1.00 H new ATOM 0 HA HIS A 39 -1.935 32.091 29.363 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -1.084 34.315 28.444 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -2.397 35.116 29.285 1.00 1.00 H new ATOM 0 HD2 HIS A 39 0.277 32.509 30.691 1.00 1.00 H new ATOM 0 HE1 HIS A 39 0.254 36.065 33.021 1.00 1.00 H new ATOM 0 HE2 HIS A 39 1.335 33.753 32.758 1.00 1.00 H new ATOM 601 N PHE A 40 -4.767 33.614 30.168 1.00 1.00 N ATOM 602 CA PHE A 40 -5.891 33.552 31.093 1.00 1.00 C ATOM 603 C PHE A 40 -6.496 32.145 31.188 1.00 1.00 C ATOM 604 O PHE A 40 -6.749 31.625 32.273 1.00 1.00 O ATOM 605 CB PHE A 40 -6.965 34.597 30.682 1.00 1.00 C ATOM 606 CG PHE A 40 -8.038 34.747 31.729 1.00 1.00 C ATOM 607 CD1 PHE A 40 -7.725 35.255 33.003 1.00 1.00 C ATOM 608 CD2 PHE A 40 -9.360 34.357 31.457 1.00 1.00 C ATOM 609 CE1 PHE A 40 -8.710 35.347 33.994 1.00 1.00 C ATOM 610 CE2 PHE A 40 -10.347 34.456 32.444 1.00 1.00 C ATOM 611 CZ PHE A 40 -10.020 34.939 33.717 1.00 1.00 C ATOM 0 H PHE A 40 -4.933 34.219 29.364 1.00 1.00 H new ATOM 0 HA PHE A 40 -5.518 33.792 32.089 1.00 1.00 H new ATOM 0 HB2 PHE A 40 -6.486 35.562 30.513 1.00 1.00 H new ATOM 0 HB3 PHE A 40 -7.420 34.297 29.738 1.00 1.00 H new ATOM 0 HD1 PHE A 40 -6.717 35.577 33.218 1.00 1.00 H new ATOM 0 HD2 PHE A 40 -9.616 33.978 30.479 1.00 1.00 H new ATOM 0 HE1 PHE A 40 -8.459 35.732 34.971 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -11.362 34.160 32.224 1.00 1.00 H new ATOM 0 HZ PHE A 40 -10.778 34.997 34.484 1.00 1.00 H new ATOM 621 N PHE A 41 -6.691 31.467 30.044 1.00 1.00 N ATOM 622 CA PHE A 41 -7.133 30.085 29.982 1.00 1.00 C ATOM 623 C PHE A 41 -6.174 29.078 30.622 1.00 1.00 C ATOM 624 O PHE A 41 -6.588 28.223 31.400 1.00 1.00 O ATOM 625 CB PHE A 41 -7.366 29.688 28.498 1.00 1.00 C ATOM 626 CG PHE A 41 -8.687 30.123 27.897 1.00 1.00 C ATOM 627 CD1 PHE A 41 -9.851 30.400 28.645 1.00 1.00 C ATOM 628 CD2 PHE A 41 -8.778 30.143 26.494 1.00 1.00 C ATOM 629 CE1 PHE A 41 -11.063 30.692 28.004 1.00 1.00 C ATOM 630 CE2 PHE A 41 -9.988 30.432 25.851 1.00 1.00 C ATOM 631 CZ PHE A 41 -11.133 30.707 26.608 1.00 1.00 C ATOM 0 H PHE A 41 -6.540 31.883 29.125 1.00 1.00 H new ATOM 0 HA PHE A 41 -8.053 30.040 30.565 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -6.559 30.110 27.898 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -7.291 28.604 28.416 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -9.808 30.387 29.724 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -7.900 29.932 25.902 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -11.945 30.906 28.590 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -10.038 30.443 24.772 1.00 1.00 H new ATOM 0 HZ PHE A 41 -12.068 30.930 26.115 1.00 1.00 H new ATOM 641 N MET A 42 -4.853 29.165 30.376 1.00 1.00 N ATOM 642 CA MET A 42 -3.880 28.234 30.938 1.00 1.00 C ATOM 643 C MET A 42 -3.597 28.479 32.419 1.00 1.00 C ATOM 644 O MET A 42 -3.100 27.608 33.135 1.00 1.00 O ATOM 645 CB MET A 42 -2.555 28.290 30.144 1.00 1.00 C ATOM 646 CG MET A 42 -2.685 27.747 28.704 1.00 1.00 C ATOM 647 SD MET A 42 -1.163 27.856 27.712 1.00 1.00 S ATOM 648 CE MET A 42 -0.347 26.360 28.338 1.00 1.00 C ATOM 0 H MET A 42 -4.440 29.884 29.782 1.00 1.00 H new ATOM 0 HA MET A 42 -4.326 27.243 30.854 1.00 1.00 H new ATOM 0 HB2 MET A 42 -2.205 29.322 30.106 1.00 1.00 H new ATOM 0 HB3 MET A 42 -1.796 27.715 30.675 1.00 1.00 H new ATOM 0 HG2 MET A 42 -2.999 26.704 28.750 1.00 1.00 H new ATOM 0 HG3 MET A 42 -3.476 28.296 28.193 1.00 1.00 H new ATOM 0 HE1 MET A 42 0.655 26.288 27.916 1.00 1.00 H new ATOM 0 HE2 MET A 42 -0.280 26.410 29.425 1.00 1.00 H new ATOM 0 HE3 MET A 42 -0.926 25.482 28.050 1.00 1.00 H new ATOM 658 N THR A 43 -3.971 29.661 32.944 1.00 1.00 N ATOM 659 CA THR A 43 -3.941 29.925 34.382 1.00 1.00 C ATOM 660 C THR A 43 -5.265 29.559 35.034 1.00 1.00 C ATOM 661 O THR A 43 -5.378 29.566 36.261 1.00 1.00 O ATOM 662 CB THR A 43 -3.575 31.363 34.761 1.00 1.00 C ATOM 663 OG1 THR A 43 -4.308 32.339 34.032 1.00 1.00 O ATOM 664 CG2 THR A 43 -2.095 31.612 34.457 1.00 1.00 C ATOM 0 H THR A 43 -4.298 30.448 32.384 1.00 1.00 H new ATOM 0 HA THR A 43 -3.140 29.289 34.759 1.00 1.00 H new ATOM 0 HB THR A 43 -3.809 31.462 35.821 1.00 1.00 H new ATOM 0 HG1 THR A 43 -4.016 32.336 33.097 1.00 1.00 H new ATOM 0 HG21 THR A 43 -1.835 32.636 34.727 1.00 1.00 H new ATOM 0 HG22 THR A 43 -1.483 30.918 35.034 1.00 1.00 H new ATOM 0 HG23 THR A 43 -1.911 31.460 33.393 1.00 1.00 H new ATOM 672 N HIS A 44 -6.286 29.168 34.236 1.00 1.00 N ATOM 673 CA HIS A 44 -7.601 28.772 34.734 1.00 1.00 C ATOM 674 C HIS A 44 -8.251 27.615 33.965 1.00 1.00 C ATOM 675 O HIS A 44 -9.277 27.832 33.313 1.00 1.00 O ATOM 676 CB HIS A 44 -8.572 29.973 34.659 1.00 1.00 C ATOM 677 CG HIS A 44 -8.107 31.122 35.493 1.00 1.00 C ATOM 678 ND1 HIS A 44 -8.207 31.094 36.854 1.00 1.00 N ATOM 679 CD2 HIS A 44 -7.469 32.269 35.165 1.00 1.00 C ATOM 680 CE1 HIS A 44 -7.656 32.188 37.350 1.00 1.00 C ATOM 681 NE2 HIS A 44 -7.199 32.915 36.343 1.00 1.00 N ATOM 0 H HIS A 44 -6.207 29.122 33.220 1.00 1.00 H new ATOM 0 HA HIS A 44 -7.427 28.435 35.756 1.00 1.00 H new ATOM 0 HB2 HIS A 44 -8.671 30.294 33.622 1.00 1.00 H new ATOM 0 HB3 HIS A 44 -9.562 29.660 34.992 1.00 1.00 H new ATOM 0 HD2 HIS A 44 -7.221 32.609 34.170 1.00 1.00 H new ATOM 0 HE1 HIS A 44 -7.590 32.445 38.397 1.00 1.00 H new ATOM 0 HE2 HIS A 44 -6.722 33.812 36.430 1.00 1.00 H new ATOM 690 N PRO A 45 -7.753 26.381 34.000 1.00 1.00 N ATOM 691 CA PRO A 45 -8.388 25.246 33.330 1.00 1.00 C ATOM 692 C PRO A 45 -9.609 24.725 34.088 1.00 1.00 C ATOM 693 O PRO A 45 -9.625 24.721 35.322 1.00 1.00 O ATOM 694 CB PRO A 45 -7.268 24.192 33.292 1.00 1.00 C ATOM 695 CG PRO A 45 -6.422 24.490 34.534 1.00 1.00 C ATOM 696 CD PRO A 45 -6.482 26.012 34.632 1.00 1.00 C ATOM 0 HA PRO A 45 -8.773 25.511 32.345 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -7.673 23.180 33.321 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -6.677 24.273 32.380 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -6.830 24.012 35.425 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -5.398 24.133 34.421 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -6.446 26.343 35.670 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -5.638 26.474 34.121 1.00 1.00 H new ATOM 704 N GLU A 46 -10.638 24.286 33.341 1.00 1.00 N ATOM 705 CA GLU A 46 -11.901 23.711 33.774 1.00 1.00 C ATOM 706 C GLU A 46 -12.759 24.660 34.607 1.00 1.00 C ATOM 707 O GLU A 46 -13.340 24.271 35.620 1.00 1.00 O ATOM 708 CB GLU A 46 -11.746 22.349 34.503 1.00 1.00 C ATOM 709 CG GLU A 46 -10.998 21.243 33.714 1.00 1.00 C ATOM 710 CD GLU A 46 -11.771 20.606 32.574 1.00 1.00 C ATOM 711 OE1 GLU A 46 -12.888 21.051 32.199 1.00 1.00 O ATOM 712 OE2 GLU A 46 -11.248 19.599 32.021 1.00 1.00 O ATOM 0 H GLU A 46 -10.590 24.335 32.323 1.00 1.00 H new ATOM 0 HA GLU A 46 -12.431 23.529 32.839 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -11.219 22.519 35.442 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -12.739 21.979 34.757 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -10.079 21.669 33.311 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -10.706 20.459 34.413 1.00 1.00 H new ATOM 719 N ARG A 47 -12.871 25.936 34.190 1.00 1.00 N ATOM 720 CA ARG A 47 -13.701 26.922 34.858 1.00 1.00 C ATOM 721 C ARG A 47 -14.482 27.657 33.784 1.00 1.00 C ATOM 722 O ARG A 47 -13.903 28.294 32.906 1.00 1.00 O ATOM 723 CB ARG A 47 -12.811 27.919 35.653 1.00 1.00 C ATOM 724 CG ARG A 47 -13.491 28.758 36.764 1.00 1.00 C ATOM 725 CD ARG A 47 -14.590 29.734 36.331 1.00 1.00 C ATOM 726 NE ARG A 47 -14.856 30.656 37.481 1.00 1.00 N ATOM 727 CZ ARG A 47 -15.741 31.657 37.446 1.00 1.00 C ATOM 728 NH1 ARG A 47 -16.524 31.902 36.404 1.00 1.00 N ATOM 729 NH2 ARG A 47 -15.842 32.472 38.490 1.00 1.00 N ATOM 0 H ARG A 47 -12.380 26.301 33.374 1.00 1.00 H new ATOM 0 HA ARG A 47 -14.378 26.442 35.564 1.00 1.00 H new ATOM 0 HB2 ARG A 47 -11.998 27.354 36.109 1.00 1.00 H new ATOM 0 HB3 ARG A 47 -12.359 28.609 34.940 1.00 1.00 H new ATOM 0 HG2 ARG A 47 -13.919 28.070 37.493 1.00 1.00 H new ATOM 0 HG3 ARG A 47 -12.717 29.327 37.279 1.00 1.00 H new ATOM 0 HD2 ARG A 47 -14.277 30.298 35.453 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -15.496 29.193 36.056 1.00 1.00 H new ATOM 0 HE ARG A 47 -14.330 30.511 38.343 1.00 1.00 H new ATOM 0 HH11 ARG A 47 -16.468 31.312 35.574 1.00 1.00 H new ATOM 0 HH12 ARG A 47 -17.182 32.681 36.433 1.00 1.00 H new ATOM 0 HH21 ARG A 47 -15.248 32.330 39.307 1.00 1.00 H new ATOM 0 HH22 ARG A 47 -16.514 33.239 38.475 1.00 1.00 H new ATOM 743 N VAL A 48 -15.827 27.603 33.788 1.00 1.00 N ATOM 744 CA VAL A 48 -16.613 28.344 32.806 1.00 1.00 C ATOM 745 C VAL A 48 -16.522 29.850 33.014 1.00 1.00 C ATOM 746 O VAL A 48 -16.673 30.369 34.117 1.00 1.00 O ATOM 747 CB VAL A 48 -18.076 27.925 32.741 1.00 1.00 C ATOM 748 CG1 VAL A 48 -18.797 28.580 31.542 1.00 1.00 C ATOM 749 CG2 VAL A 48 -18.157 26.395 32.604 1.00 1.00 C ATOM 0 H VAL A 48 -16.378 27.060 34.453 1.00 1.00 H new ATOM 0 HA VAL A 48 -16.160 28.086 31.848 1.00 1.00 H new ATOM 0 HB VAL A 48 -18.567 28.254 33.657 1.00 1.00 H new ATOM 0 HG11 VAL A 48 -19.839 28.260 31.525 1.00 1.00 H new ATOM 0 HG12 VAL A 48 -18.752 29.665 31.639 1.00 1.00 H new ATOM 0 HG13 VAL A 48 -18.309 28.278 30.615 1.00 1.00 H new ATOM 0 HG21 VAL A 48 -19.202 26.089 32.557 1.00 1.00 H new ATOM 0 HG22 VAL A 48 -17.646 26.084 31.693 1.00 1.00 H new ATOM 0 HG23 VAL A 48 -17.680 25.927 33.465 1.00 1.00 H new ATOM 759 N TYR A 49 -16.273 30.587 31.926 1.00 1.00 N ATOM 760 CA TYR A 49 -16.278 32.034 31.922 1.00 1.00 C ATOM 761 C TYR A 49 -17.223 32.468 30.839 1.00 1.00 C ATOM 762 O TYR A 49 -17.134 32.044 29.683 1.00 1.00 O ATOM 763 CB TYR A 49 -14.887 32.655 31.644 1.00 1.00 C ATOM 764 CG TYR A 49 -13.970 32.505 32.824 1.00 1.00 C ATOM 765 CD1 TYR A 49 -14.254 33.132 34.051 1.00 1.00 C ATOM 766 CD2 TYR A 49 -12.784 31.765 32.705 1.00 1.00 C ATOM 767 CE1 TYR A 49 -13.373 33.012 35.137 1.00 1.00 C ATOM 768 CE2 TYR A 49 -11.916 31.625 33.794 1.00 1.00 C ATOM 769 CZ TYR A 49 -12.208 32.247 35.009 1.00 1.00 C ATOM 770 OH TYR A 49 -11.323 32.087 36.093 1.00 1.00 O ATOM 0 H TYR A 49 -16.060 30.179 31.016 1.00 1.00 H new ATOM 0 HA TYR A 49 -16.578 32.376 32.912 1.00 1.00 H new ATOM 0 HB2 TYR A 49 -14.441 32.176 30.773 1.00 1.00 H new ATOM 0 HB3 TYR A 49 -15.001 33.712 31.403 1.00 1.00 H new ATOM 0 HD1 TYR A 49 -15.159 33.711 34.158 1.00 1.00 H new ATOM 0 HD2 TYR A 49 -12.538 31.298 31.763 1.00 1.00 H new ATOM 0 HE1 TYR A 49 -13.594 33.509 36.070 1.00 1.00 H new ATOM 0 HE2 TYR A 49 -11.018 31.034 33.694 1.00 1.00 H new ATOM 0 HH TYR A 49 -10.876 31.218 36.024 1.00 1.00 H new ATOM 780 N SER A 50 -18.177 33.333 31.216 1.00 1.00 N ATOM 781 CA SER A 50 -19.019 34.078 30.306 1.00 1.00 C ATOM 782 C SER A 50 -18.235 34.977 29.369 1.00 1.00 C ATOM 783 O SER A 50 -17.103 35.370 29.655 1.00 1.00 O ATOM 784 CB SER A 50 -20.107 34.912 31.036 1.00 1.00 C ATOM 785 OG SER A 50 -19.539 35.972 31.810 1.00 1.00 O ATOM 0 H SER A 50 -18.379 33.530 32.196 1.00 1.00 H new ATOM 0 HA SER A 50 -19.515 33.314 29.707 1.00 1.00 H new ATOM 0 HB2 SER A 50 -20.798 35.328 30.303 1.00 1.00 H new ATOM 0 HB3 SER A 50 -20.689 34.259 31.687 1.00 1.00 H new ATOM 0 HG SER A 50 -20.255 36.474 32.252 1.00 1.00 H new ATOM 791 N ARG A 51 -18.814 35.358 28.213 1.00 1.00 N ATOM 792 CA ARG A 51 -18.195 36.338 27.331 1.00 1.00 C ATOM 793 C ARG A 51 -17.960 37.682 28.026 1.00 1.00 C ATOM 794 O ARG A 51 -16.922 38.307 27.833 1.00 1.00 O ATOM 795 CB ARG A 51 -18.987 36.497 26.010 1.00 1.00 C ATOM 796 CG ARG A 51 -18.971 35.210 25.157 1.00 1.00 C ATOM 797 CD ARG A 51 -19.755 35.329 23.845 1.00 1.00 C ATOM 798 NE ARG A 51 -19.613 34.039 23.086 1.00 1.00 N ATOM 799 CZ ARG A 51 -20.396 32.965 23.231 1.00 1.00 C ATOM 800 NH1 ARG A 51 -21.151 32.755 24.302 1.00 1.00 N ATOM 801 NH2 ARG A 51 -20.462 32.110 22.212 1.00 1.00 N ATOM 0 H ARG A 51 -19.707 34.997 27.879 1.00 1.00 H new ATOM 0 HA ARG A 51 -17.210 35.951 27.071 1.00 1.00 H new ATOM 0 HB2 ARG A 51 -20.018 36.766 26.238 1.00 1.00 H new ATOM 0 HB3 ARG A 51 -18.563 37.318 25.432 1.00 1.00 H new ATOM 0 HG2 ARG A 51 -17.938 34.948 24.930 1.00 1.00 H new ATOM 0 HG3 ARG A 51 -19.385 34.391 25.744 1.00 1.00 H new ATOM 0 HD2 ARG A 51 -20.806 35.535 24.049 1.00 1.00 H new ATOM 0 HD3 ARG A 51 -19.376 36.161 23.252 1.00 1.00 H new ATOM 0 HE ARG A 51 -18.857 33.978 22.404 1.00 1.00 H new ATOM 0 HH11 ARG A 51 -21.152 33.431 25.066 1.00 1.00 H new ATOM 0 HH12 ARG A 51 -21.730 31.918 24.361 1.00 1.00 H new ATOM 0 HH21 ARG A 51 -19.927 32.287 21.362 1.00 1.00 H new ATOM 0 HH22 ARG A 51 -21.048 31.278 22.282 1.00 1.00 H new ATOM 815 N GLU A 52 -18.873 38.107 28.928 1.00 1.00 N ATOM 816 CA GLU A 52 -18.669 39.234 29.825 1.00 1.00 C ATOM 817 C GLU A 52 -17.464 39.087 30.763 1.00 1.00 C ATOM 818 O GLU A 52 -16.674 40.022 30.914 1.00 1.00 O ATOM 819 CB GLU A 52 -19.949 39.466 30.672 1.00 1.00 C ATOM 820 CG GLU A 52 -19.929 40.750 31.542 1.00 1.00 C ATOM 821 CD GLU A 52 -21.175 40.874 32.399 1.00 1.00 C ATOM 822 OE1 GLU A 52 -21.339 40.061 33.347 1.00 1.00 O ATOM 823 OE2 GLU A 52 -22.000 41.796 32.151 1.00 1.00 O ATOM 0 H GLU A 52 -19.782 37.660 29.044 1.00 1.00 H new ATOM 0 HA GLU A 52 -18.456 40.089 29.184 1.00 1.00 H new ATOM 0 HB2 GLU A 52 -20.808 39.511 30.002 1.00 1.00 H new ATOM 0 HB3 GLU A 52 -20.098 38.605 31.323 1.00 1.00 H new ATOM 0 HG2 GLU A 52 -19.047 40.740 32.183 1.00 1.00 H new ATOM 0 HG3 GLU A 52 -19.844 41.624 30.897 1.00 1.00 H new ATOM 830 N GLN A 53 -17.235 37.905 31.396 1.00 1.00 N ATOM 831 CA GLN A 53 -16.043 37.677 32.200 1.00 1.00 C ATOM 832 C GLN A 53 -14.774 37.726 31.359 1.00 1.00 C ATOM 833 O GLN A 53 -13.789 38.363 31.727 1.00 1.00 O ATOM 834 CB GLN A 53 -16.124 36.318 32.948 1.00 1.00 C ATOM 835 CG GLN A 53 -17.026 36.331 34.210 1.00 1.00 C ATOM 836 CD GLN A 53 -16.364 37.081 35.368 1.00 1.00 C ATOM 837 OE1 GLN A 53 -15.449 36.572 36.029 1.00 1.00 O ATOM 838 NE2 GLN A 53 -16.804 38.334 35.616 1.00 1.00 N ATOM 0 H GLN A 53 -17.870 37.108 31.354 1.00 1.00 H new ATOM 0 HA GLN A 53 -15.999 38.483 32.932 1.00 1.00 H new ATOM 0 HB2 GLN A 53 -16.496 35.560 32.259 1.00 1.00 H new ATOM 0 HB3 GLN A 53 -15.118 36.017 33.239 1.00 1.00 H new ATOM 0 HG2 GLN A 53 -17.981 36.800 33.971 1.00 1.00 H new ATOM 0 HG3 GLN A 53 -17.241 35.307 34.515 1.00 1.00 H new ATOM 0 HE21 GLN A 53 -17.559 38.729 35.056 1.00 1.00 H new ATOM 0 HE22 GLN A 53 -16.381 38.885 36.363 1.00 1.00 H new ATOM 847 N LEU A 54 -14.781 37.099 30.167 1.00 1.00 N ATOM 848 CA LEU A 54 -13.665 37.141 29.239 1.00 1.00 C ATOM 849 C LEU A 54 -13.337 38.539 28.733 1.00 1.00 C ATOM 850 O LEU A 54 -12.171 38.921 28.673 1.00 1.00 O ATOM 851 CB LEU A 54 -13.894 36.188 28.044 1.00 1.00 C ATOM 852 CG LEU A 54 -14.030 34.704 28.445 1.00 1.00 C ATOM 853 CD1 LEU A 54 -14.384 33.852 27.223 1.00 1.00 C ATOM 854 CD2 LEU A 54 -12.772 34.155 29.133 1.00 1.00 C ATOM 0 H LEU A 54 -15.572 36.549 29.831 1.00 1.00 H new ATOM 0 HA LEU A 54 -12.802 36.805 29.813 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -14.796 36.495 27.514 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -13.064 36.291 27.346 1.00 1.00 H new ATOM 0 HG LEU A 54 -14.838 34.647 29.174 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -14.476 32.808 27.522 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -15.330 34.194 26.802 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -13.598 33.947 26.474 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -12.927 33.108 29.392 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -11.921 34.240 28.457 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -12.574 34.727 30.039 1.00 1.00 H new ATOM 866 N LEU A 55 -14.345 39.370 28.396 1.00 1.00 N ATOM 867 CA LEU A 55 -14.124 40.760 28.029 1.00 1.00 C ATOM 868 C LEU A 55 -13.482 41.584 29.134 1.00 1.00 C ATOM 869 O LEU A 55 -12.486 42.266 28.901 1.00 1.00 O ATOM 870 CB LEU A 55 -15.439 41.437 27.571 1.00 1.00 C ATOM 871 CG LEU A 55 -15.919 40.983 26.177 1.00 1.00 C ATOM 872 CD1 LEU A 55 -17.316 41.542 25.875 1.00 1.00 C ATOM 873 CD2 LEU A 55 -14.938 41.400 25.073 1.00 1.00 C ATOM 0 H LEU A 55 -15.325 39.086 28.374 1.00 1.00 H new ATOM 0 HA LEU A 55 -13.420 40.731 27.198 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -16.220 41.224 28.301 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -15.297 42.518 27.562 1.00 1.00 H new ATOM 0 HG LEU A 55 -15.966 39.894 26.192 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -17.635 41.210 24.887 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -18.021 41.183 26.624 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -17.285 42.631 25.899 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -15.312 41.062 24.107 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -14.840 42.486 25.064 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -13.964 40.949 25.263 1.00 1.00 H new ATOM 885 N ASN A 56 -13.979 41.486 30.381 1.00 1.00 N ATOM 886 CA ASN A 56 -13.383 42.176 31.515 1.00 1.00 C ATOM 887 C ASN A 56 -11.975 41.686 31.863 1.00 1.00 C ATOM 888 O ASN A 56 -11.062 42.480 32.085 1.00 1.00 O ATOM 889 CB ASN A 56 -14.303 42.079 32.760 1.00 1.00 C ATOM 890 CG ASN A 56 -15.471 43.051 32.617 1.00 1.00 C ATOM 891 OD1 ASN A 56 -15.375 44.207 33.034 1.00 1.00 O ATOM 892 ND2 ASN A 56 -16.601 42.611 32.027 1.00 1.00 N ATOM 0 H ASN A 56 -14.799 40.928 30.619 1.00 1.00 H new ATOM 0 HA ASN A 56 -13.282 43.218 31.210 1.00 1.00 H new ATOM 0 HB2 ASN A 56 -14.677 41.061 32.869 1.00 1.00 H new ATOM 0 HB3 ASN A 56 -13.735 42.308 33.662 1.00 1.00 H new ATOM 0 HD21 ASN A 56 -17.398 43.239 31.919 1.00 1.00 H new ATOM 0 HD22 ASN A 56 -16.659 41.650 31.689 1.00 1.00 H new ATOM 899 N HIS A 57 -11.740 40.360 31.903 1.00 1.00 N ATOM 900 CA HIS A 57 -10.431 39.807 32.220 1.00 1.00 C ATOM 901 C HIS A 57 -9.370 39.942 31.134 1.00 1.00 C ATOM 902 O HIS A 57 -8.201 40.170 31.436 1.00 1.00 O ATOM 903 CB HIS A 57 -10.510 38.327 32.655 1.00 1.00 C ATOM 904 CG HIS A 57 -11.381 38.110 33.857 1.00 1.00 C ATOM 905 ND1 HIS A 57 -11.180 38.852 35.011 1.00 1.00 N ATOM 906 CD2 HIS A 57 -12.409 37.242 34.030 1.00 1.00 C ATOM 907 CE1 HIS A 57 -12.100 38.417 35.859 1.00 1.00 C ATOM 908 NE2 HIS A 57 -12.867 37.447 35.311 1.00 1.00 N ATOM 0 H HIS A 57 -12.454 39.656 31.716 1.00 1.00 H new ATOM 0 HA HIS A 57 -10.106 40.434 33.050 1.00 1.00 H new ATOM 0 HB2 HIS A 57 -10.891 37.731 31.826 1.00 1.00 H new ATOM 0 HB3 HIS A 57 -9.505 37.965 32.872 1.00 1.00 H new ATOM 0 HD2 HIS A 57 -12.790 36.534 33.309 1.00 1.00 H new ATOM 0 HE1 HIS A 57 -12.223 38.791 36.865 1.00 1.00 H new ATOM 0 HE2 HIS A 57 -13.640 36.959 35.763 1.00 1.00 H new ATOM 916 N VAL A 58 -9.715 39.770 29.840 1.00 1.00 N ATOM 917 CA VAL A 58 -8.707 39.698 28.785 1.00 1.00 C ATOM 918 C VAL A 58 -8.521 41.027 28.085 1.00 1.00 C ATOM 919 O VAL A 58 -7.423 41.584 28.062 1.00 1.00 O ATOM 920 CB VAL A 58 -9.057 38.612 27.775 1.00 1.00 C ATOM 921 CG1 VAL A 58 -8.024 38.549 26.632 1.00 1.00 C ATOM 922 CG2 VAL A 58 -9.113 37.267 28.524 1.00 1.00 C ATOM 0 H VAL A 58 -10.677 39.680 29.513 1.00 1.00 H new ATOM 0 HA VAL A 58 -7.761 39.443 29.263 1.00 1.00 H new ATOM 0 HB VAL A 58 -10.021 38.837 27.320 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -8.305 37.764 25.930 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -7.997 39.507 26.113 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -7.038 38.332 27.044 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -9.362 36.470 27.823 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -8.143 37.062 28.977 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -9.874 37.316 29.303 1.00 1.00 H new ATOM 932 N TRP A 59 -9.598 41.584 27.495 1.00 1.00 N ATOM 933 CA TRP A 59 -9.571 42.871 26.825 1.00 1.00 C ATOM 934 C TRP A 59 -9.391 44.011 27.816 1.00 1.00 C ATOM 935 O TRP A 59 -8.566 44.905 27.621 1.00 1.00 O ATOM 936 CB TRP A 59 -10.862 43.085 25.986 1.00 1.00 C ATOM 937 CG TRP A 59 -10.888 42.349 24.652 1.00 1.00 C ATOM 938 CD1 TRP A 59 -10.641 42.877 23.415 1.00 1.00 C ATOM 939 CD2 TRP A 59 -11.202 40.956 24.438 1.00 1.00 C ATOM 940 NE1 TRP A 59 -10.772 41.907 22.443 1.00 1.00 N ATOM 941 CE2 TRP A 59 -11.120 40.723 23.050 1.00 1.00 C ATOM 942 CE3 TRP A 59 -11.544 39.927 25.311 1.00 1.00 C ATOM 943 CZ2 TRP A 59 -11.379 39.465 22.522 1.00 1.00 C ATOM 944 CZ3 TRP A 59 -11.816 38.658 24.777 1.00 1.00 C ATOM 945 CH2 TRP A 59 -11.735 38.428 23.398 1.00 1.00 C ATOM 0 H TRP A 59 -10.514 41.136 27.478 1.00 1.00 H new ATOM 0 HA TRP A 59 -8.713 42.871 26.152 1.00 1.00 H new ATOM 0 HB2 TRP A 59 -11.720 42.765 26.578 1.00 1.00 H new ATOM 0 HB3 TRP A 59 -10.984 44.152 25.799 1.00 1.00 H new ATOM 0 HD1 TRP A 59 -10.380 43.908 23.226 1.00 1.00 H new ATOM 0 HE1 TRP A 59 -10.634 42.045 21.442 1.00 1.00 H new ATOM 0 HE3 TRP A 59 -11.599 40.101 26.375 1.00 1.00 H new ATOM 0 HZ2 TRP A 59 -11.308 39.288 21.459 1.00 1.00 H new ATOM 0 HZ3 TRP A 59 -12.091 37.849 25.438 1.00 1.00 H new ATOM 0 HH2 TRP A 59 -11.948 37.445 23.005 1.00 1.00 H new ATOM 956 N GLY A 60 -10.128 43.965 28.939 1.00 1.00 N ATOM 957 CA GLY A 60 -10.066 44.970 29.989 1.00 1.00 C ATOM 958 C GLY A 60 -11.435 45.372 30.447 1.00 1.00 C ATOM 959 O GLY A 60 -12.433 45.222 29.745 1.00 1.00 O ATOM 0 H GLY A 60 -10.790 43.214 29.136 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -9.499 44.580 30.834 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -9.532 45.847 29.624 1.00 1.00 H new ATOM 963 N THR A 61 -11.517 45.906 31.673 1.00 1.00 N ATOM 964 CA THR A 61 -12.745 46.350 32.318 1.00 1.00 C ATOM 965 C THR A 61 -13.423 47.525 31.633 1.00 1.00 C ATOM 966 O THR A 61 -14.641 47.540 31.449 1.00 1.00 O ATOM 967 CB THR A 61 -12.499 46.730 33.773 1.00 1.00 C ATOM 968 OG1 THR A 61 -11.336 47.543 33.892 1.00 1.00 O ATOM 969 CG2 THR A 61 -12.236 45.454 34.587 1.00 1.00 C ATOM 0 H THR A 61 -10.694 46.043 32.260 1.00 1.00 H new ATOM 0 HA THR A 61 -13.413 45.492 32.245 1.00 1.00 H new ATOM 0 HB THR A 61 -13.375 47.269 34.135 1.00 1.00 H new ATOM 0 HG1 THR A 61 -11.196 47.778 34.833 1.00 1.00 H new ATOM 0 HG21 THR A 61 -12.059 45.718 35.630 1.00 1.00 H new ATOM 0 HG22 THR A 61 -13.102 44.795 34.521 1.00 1.00 H new ATOM 0 HG23 THR A 61 -11.360 44.942 34.188 1.00 1.00 H new ATOM 977 N ASN A 62 -12.640 48.541 31.222 1.00 1.00 N ATOM 978 CA ASN A 62 -13.140 49.791 30.678 1.00 1.00 C ATOM 979 C ASN A 62 -12.986 49.837 29.160 1.00 1.00 C ATOM 980 O ASN A 62 -13.595 50.669 28.482 1.00 1.00 O ATOM 981 CB ASN A 62 -12.398 50.992 31.320 1.00 1.00 C ATOM 982 CG ASN A 62 -12.552 50.916 32.837 1.00 1.00 C ATOM 983 OD1 ASN A 62 -13.660 50.990 33.379 1.00 1.00 O ATOM 984 ND2 ASN A 62 -11.423 50.743 33.559 1.00 1.00 N ATOM 0 H ASN A 62 -11.622 48.502 31.265 1.00 1.00 H new ATOM 0 HA ASN A 62 -14.202 49.856 30.915 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -11.343 50.973 31.047 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -12.807 51.931 30.946 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -11.474 50.670 34.575 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -10.520 50.685 33.088 1.00 1.00 H new ATOM 991 N VAL A 63 -12.213 48.890 28.587 1.00 1.00 N ATOM 992 CA VAL A 63 -12.239 48.507 27.178 1.00 1.00 C ATOM 993 C VAL A 63 -13.592 47.897 26.829 1.00 1.00 C ATOM 994 O VAL A 63 -14.222 47.245 27.658 1.00 1.00 O ATOM 995 CB VAL A 63 -11.112 47.527 26.829 1.00 1.00 C ATOM 996 CG1 VAL A 63 -11.069 47.183 25.325 1.00 1.00 C ATOM 997 CG2 VAL A 63 -9.765 48.153 27.238 1.00 1.00 C ATOM 0 H VAL A 63 -11.530 48.356 29.124 1.00 1.00 H new ATOM 0 HA VAL A 63 -12.082 49.410 26.587 1.00 1.00 H new ATOM 0 HB VAL A 63 -11.301 46.601 27.371 1.00 1.00 H new ATOM 0 HG11 VAL A 63 -10.253 46.486 25.134 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -12.013 46.726 25.029 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -10.911 48.094 24.748 1.00 1.00 H new ATOM 0 HG21 VAL A 63 -8.955 47.465 26.995 1.00 1.00 H new ATOM 0 HG22 VAL A 63 -9.620 49.089 26.699 1.00 1.00 H new ATOM 0 HG23 VAL A 63 -9.765 48.348 28.310 1.00 1.00 H new ATOM 1007 N TYR A 64 -14.101 48.084 25.601 1.00 1.00 N ATOM 1008 CA TYR A 64 -15.331 47.441 25.188 1.00 1.00 C ATOM 1009 C TYR A 64 -15.309 47.195 23.692 1.00 1.00 C ATOM 1010 O TYR A 64 -14.655 47.903 22.929 1.00 1.00 O ATOM 1011 CB TYR A 64 -16.618 48.214 25.617 1.00 1.00 C ATOM 1012 CG TYR A 64 -16.591 49.653 25.178 1.00 1.00 C ATOM 1013 CD1 TYR A 64 -16.895 50.002 23.852 1.00 1.00 C ATOM 1014 CD2 TYR A 64 -16.211 50.661 26.076 1.00 1.00 C ATOM 1015 CE1 TYR A 64 -16.730 51.319 23.410 1.00 1.00 C ATOM 1016 CE2 TYR A 64 -16.071 51.985 25.643 1.00 1.00 C ATOM 1017 CZ TYR A 64 -16.290 52.307 24.297 1.00 1.00 C ATOM 1018 OH TYR A 64 -16.020 53.608 23.824 1.00 1.00 O ATOM 0 H TYR A 64 -13.672 48.675 24.889 1.00 1.00 H new ATOM 0 HA TYR A 64 -15.380 46.487 25.712 1.00 1.00 H new ATOM 0 HB2 TYR A 64 -17.493 47.723 25.192 1.00 1.00 H new ATOM 0 HB3 TYR A 64 -16.722 48.169 26.701 1.00 1.00 H new ATOM 0 HD1 TYR A 64 -17.259 49.249 23.169 1.00 1.00 H new ATOM 0 HD2 TYR A 64 -16.025 50.414 27.111 1.00 1.00 H new ATOM 0 HE1 TYR A 64 -16.943 51.573 22.382 1.00 1.00 H new ATOM 0 HE2 TYR A 64 -15.795 52.757 26.346 1.00 1.00 H new ATOM 0 HH TYR A 64 -15.725 54.172 24.569 1.00 1.00 H new ATOM 1028 N VAL A 65 -16.053 46.166 23.265 1.00 1.00 N ATOM 1029 CA VAL A 65 -16.278 45.755 21.892 1.00 1.00 C ATOM 1030 C VAL A 65 -17.657 45.129 21.936 1.00 1.00 C ATOM 1031 O VAL A 65 -18.298 45.115 22.994 1.00 1.00 O ATOM 1032 CB VAL A 65 -15.256 44.775 21.309 1.00 1.00 C ATOM 1033 CG1 VAL A 65 -13.966 45.508 20.937 1.00 1.00 C ATOM 1034 CG2 VAL A 65 -14.897 43.637 22.267 1.00 1.00 C ATOM 0 H VAL A 65 -16.544 45.563 23.925 1.00 1.00 H new ATOM 0 HA VAL A 65 -16.180 46.614 21.228 1.00 1.00 H new ATOM 0 HB VAL A 65 -15.730 44.342 20.428 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -13.250 44.797 20.524 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -14.185 46.276 20.195 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -13.543 45.974 21.827 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -14.169 42.979 21.793 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -14.471 44.051 23.181 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -15.795 43.069 22.510 1.00 1.00 H new ATOM 1044 N GLU A 66 -18.198 44.631 20.807 1.00 1.00 N ATOM 1045 CA GLU A 66 -19.401 43.839 20.813 1.00 1.00 C ATOM 1046 C GLU A 66 -19.135 42.490 21.452 1.00 1.00 C ATOM 1047 O GLU A 66 -18.027 41.953 21.386 1.00 1.00 O ATOM 1048 CB GLU A 66 -19.939 43.611 19.384 1.00 1.00 C ATOM 1049 CG GLU A 66 -20.394 44.900 18.667 1.00 1.00 C ATOM 1050 CD GLU A 66 -20.985 44.557 17.315 1.00 1.00 C ATOM 1051 OE1 GLU A 66 -20.755 43.552 16.662 1.00 1.00 O ATOM 1052 OE2 GLU A 66 -21.827 45.531 16.846 1.00 1.00 O ATOM 0 H GLU A 66 -17.800 44.777 19.879 1.00 1.00 H new ATOM 0 HA GLU A 66 -20.148 44.389 21.386 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -19.163 43.131 18.788 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -20.779 42.918 19.430 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -21.133 45.423 19.274 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -19.548 45.576 18.543 1.00 1.00 H new ATOM 1060 N ASP A 67 -20.165 41.888 22.064 1.00 1.00 N ATOM 1061 CA ASP A 67 -20.103 40.613 22.743 1.00 1.00 C ATOM 1062 C ASP A 67 -19.612 39.488 21.822 1.00 1.00 C ATOM 1063 O ASP A 67 -18.920 38.564 22.246 1.00 1.00 O ATOM 1064 CB ASP A 67 -21.491 40.279 23.355 1.00 1.00 C ATOM 1065 CG ASP A 67 -21.965 41.359 24.308 1.00 1.00 C ATOM 1066 OD1 ASP A 67 -22.261 42.512 23.887 1.00 1.00 O ATOM 1067 OD2 ASP A 67 -22.093 41.071 25.529 1.00 1.00 O ATOM 0 H ASP A 67 -21.096 42.304 22.093 1.00 1.00 H new ATOM 0 HA ASP A 67 -19.370 40.692 23.546 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -22.220 40.156 22.554 1.00 1.00 H new ATOM 0 HB3 ASP A 67 -21.435 39.328 23.884 1.00 1.00 H new ATOM 1072 N ARG A 68 -19.894 39.594 20.504 1.00 1.00 N ATOM 1073 CA ARG A 68 -19.484 38.612 19.518 1.00 1.00 C ATOM 1074 C ARG A 68 -18.116 38.861 18.900 1.00 1.00 C ATOM 1075 O ARG A 68 -17.713 38.165 17.966 1.00 1.00 O ATOM 1076 CB ARG A 68 -20.524 38.532 18.374 1.00 1.00 C ATOM 1077 CG ARG A 68 -21.881 37.968 18.825 1.00 1.00 C ATOM 1078 CD ARG A 68 -21.778 36.533 19.340 1.00 1.00 C ATOM 1079 NE ARG A 68 -23.151 36.128 19.724 1.00 1.00 N ATOM 1080 CZ ARG A 68 -23.389 35.025 20.435 1.00 1.00 C ATOM 1081 NH1 ARG A 68 -22.453 34.117 20.694 1.00 1.00 N ATOM 1082 NH2 ARG A 68 -24.595 34.791 20.944 1.00 1.00 N ATOM 0 H ARG A 68 -20.417 40.375 20.108 1.00 1.00 H new ATOM 0 HA ARG A 68 -19.418 37.675 20.071 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -20.673 39.528 17.957 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -20.127 37.908 17.574 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -22.292 38.603 19.610 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -22.580 38.001 17.989 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -21.379 35.872 18.571 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -21.102 36.474 20.193 1.00 1.00 H new ATOM 0 HE ARG A 68 -23.937 36.710 19.436 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -21.504 34.249 20.344 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -22.684 33.289 21.243 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -25.351 35.459 20.792 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -24.764 33.944 21.486 1.00 1.00 H new ATOM 1096 N THR A 69 -17.306 39.811 19.418 1.00 1.00 N ATOM 1097 CA THR A 69 -15.894 39.869 19.055 1.00 1.00 C ATOM 1098 C THR A 69 -15.103 38.782 19.776 1.00 1.00 C ATOM 1099 O THR A 69 -14.051 38.334 19.311 1.00 1.00 O ATOM 1100 CB THR A 69 -15.373 41.284 19.265 1.00 1.00 C ATOM 1101 OG1 THR A 69 -15.897 42.066 18.198 1.00 1.00 O ATOM 1102 CG2 THR A 69 -13.843 41.404 19.215 1.00 1.00 C ATOM 0 H THR A 69 -17.609 40.530 20.075 1.00 1.00 H new ATOM 0 HA THR A 69 -15.762 39.651 17.995 1.00 1.00 H new ATOM 0 HB THR A 69 -15.682 41.610 20.258 1.00 1.00 H new ATOM 0 HG1 THR A 69 -15.590 42.992 18.290 1.00 1.00 H new ATOM 0 HG21 THR A 69 -13.554 42.443 19.373 1.00 1.00 H new ATOM 0 HG22 THR A 69 -13.404 40.782 19.995 1.00 1.00 H new ATOM 0 HG23 THR A 69 -13.484 41.072 18.241 1.00 1.00 H new ATOM 1110 N VAL A 70 -15.642 38.236 20.893 1.00 1.00 N ATOM 1111 CA VAL A 70 -15.083 37.067 21.565 1.00 1.00 C ATOM 1112 C VAL A 70 -15.122 35.812 20.694 1.00 1.00 C ATOM 1113 O VAL A 70 -14.104 35.151 20.503 1.00 1.00 O ATOM 1114 CB VAL A 70 -15.787 36.786 22.894 1.00 1.00 C ATOM 1115 CG1 VAL A 70 -15.059 35.659 23.659 1.00 1.00 C ATOM 1116 CG2 VAL A 70 -15.798 38.064 23.756 1.00 1.00 C ATOM 0 H VAL A 70 -16.479 38.605 21.344 1.00 1.00 H new ATOM 0 HA VAL A 70 -14.039 37.312 21.759 1.00 1.00 H new ATOM 0 HB VAL A 70 -16.811 36.473 22.688 1.00 1.00 H new ATOM 0 HG11 VAL A 70 -15.571 35.470 24.602 1.00 1.00 H new ATOM 0 HG12 VAL A 70 -15.061 34.750 23.057 1.00 1.00 H new ATOM 0 HG13 VAL A 70 -14.031 35.960 23.858 1.00 1.00 H new ATOM 0 HG21 VAL A 70 -16.300 37.861 24.702 1.00 1.00 H new ATOM 0 HG22 VAL A 70 -14.773 38.381 23.950 1.00 1.00 H new ATOM 0 HG23 VAL A 70 -16.328 38.855 23.227 1.00 1.00 H new ATOM 1126 N ASP A 71 -16.280 35.500 20.070 1.00 1.00 N ATOM 1127 CA ASP A 71 -16.512 34.338 19.220 1.00 1.00 C ATOM 1128 C ASP A 71 -15.576 34.265 18.018 1.00 1.00 C ATOM 1129 O ASP A 71 -15.033 33.210 17.686 1.00 1.00 O ATOM 1130 CB ASP A 71 -17.975 34.349 18.675 1.00 1.00 C ATOM 1131 CG ASP A 71 -19.015 34.342 19.775 1.00 1.00 C ATOM 1132 OD1 ASP A 71 -18.959 35.224 20.663 1.00 1.00 O ATOM 1133 OD2 ASP A 71 -19.943 33.489 19.744 1.00 1.00 O ATOM 0 H ASP A 71 -17.110 36.087 20.157 1.00 1.00 H new ATOM 0 HA ASP A 71 -16.324 33.472 19.855 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -18.118 35.232 18.052 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -18.125 33.480 18.035 1.00 1.00 H new ATOM 1138 N VAL A 72 -15.343 35.417 17.358 1.00 1.00 N ATOM 1139 CA VAL A 72 -14.390 35.579 16.267 1.00 1.00 C ATOM 1140 C VAL A 72 -12.957 35.310 16.709 1.00 1.00 C ATOM 1141 O VAL A 72 -12.203 34.590 16.057 1.00 1.00 O ATOM 1142 CB VAL A 72 -14.539 36.972 15.663 1.00 1.00 C ATOM 1143 CG1 VAL A 72 -13.452 37.267 14.613 1.00 1.00 C ATOM 1144 CG2 VAL A 72 -15.930 37.060 15.004 1.00 1.00 C ATOM 0 H VAL A 72 -15.834 36.282 17.585 1.00 1.00 H new ATOM 0 HA VAL A 72 -14.615 34.835 15.503 1.00 1.00 H new ATOM 0 HB VAL A 72 -14.429 37.711 16.457 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -13.598 38.269 14.210 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -12.469 37.203 15.079 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -13.519 36.538 13.805 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -16.062 38.048 14.564 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -16.012 36.302 14.225 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -16.700 36.892 15.757 1.00 1.00 H new ATOM 1154 N HIS A 73 -12.552 35.830 17.884 1.00 1.00 N ATOM 1155 CA HIS A 73 -11.239 35.560 18.462 1.00 1.00 C ATOM 1156 C HIS A 73 -11.029 34.125 18.896 1.00 1.00 C ATOM 1157 O HIS A 73 -9.951 33.567 18.765 1.00 1.00 O ATOM 1158 CB HIS A 73 -10.951 36.519 19.616 1.00 1.00 C ATOM 1159 CG HIS A 73 -10.543 37.871 19.121 1.00 1.00 C ATOM 1160 ND1 HIS A 73 -9.255 38.111 18.748 1.00 1.00 N ATOM 1161 CD2 HIS A 73 -11.190 39.054 19.061 1.00 1.00 C ATOM 1162 CE1 HIS A 73 -9.100 39.393 18.494 1.00 1.00 C ATOM 1163 NE2 HIS A 73 -10.261 39.988 18.684 1.00 1.00 N ATOM 0 H HIS A 73 -13.132 36.448 18.452 1.00 1.00 H new ATOM 0 HA HIS A 73 -10.525 35.729 17.656 1.00 1.00 H new ATOM 0 HB2 HIS A 73 -11.839 36.613 20.242 1.00 1.00 H new ATOM 0 HB3 HIS A 73 -10.161 36.107 20.243 1.00 1.00 H new ATOM 0 HD1 HIS A 73 -8.522 37.405 18.676 1.00 1.00 H new ATOM 0 HD2 HIS A 73 -12.235 39.230 19.269 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -8.183 39.873 18.184 1.00 1.00 H new ATOM 1172 N ILE A 74 -12.069 33.475 19.438 1.00 1.00 N ATOM 1173 CA ILE A 74 -12.133 32.027 19.722 1.00 1.00 C ATOM 1174 C ILE A 74 -11.771 31.178 18.535 1.00 1.00 C ATOM 1175 O ILE A 74 -11.018 30.210 18.597 1.00 1.00 O ATOM 1176 CB ILE A 74 -13.343 31.681 20.467 1.00 1.00 C ATOM 1177 CG1 ILE A 74 -13.365 32.192 21.920 1.00 1.00 C ATOM 1178 CG2 ILE A 74 -13.682 30.153 20.410 1.00 1.00 C ATOM 1179 CD1 ILE A 74 -12.467 31.410 22.895 1.00 1.00 C ATOM 0 H ILE A 74 -12.926 33.961 19.703 1.00 1.00 H new ATOM 0 HA ILE A 74 -11.335 31.764 20.416 1.00 1.00 H new ATOM 0 HB ILE A 74 -14.132 32.219 19.942 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -13.059 33.238 21.927 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -14.391 32.158 22.287 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -14.590 29.960 20.981 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -13.835 29.853 19.373 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -12.857 29.581 20.835 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -12.549 31.843 23.892 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -12.784 30.367 22.925 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -11.431 31.465 22.560 1.00 1.00 H new ATOM 1191 N ARG A 75 -12.383 31.484 17.379 1.00 1.00 N ATOM 1192 CA ARG A 75 -12.058 30.909 16.041 1.00 1.00 C ATOM 1193 C ARG A 75 -10.594 30.984 15.721 1.00 1.00 C ATOM 1194 O ARG A 75 -9.942 30.064 15.240 1.00 1.00 O ATOM 1195 CB ARG A 75 -12.992 31.354 14.986 1.00 1.00 C ATOM 1196 CG ARG A 75 -12.965 30.603 13.617 1.00 1.00 C ATOM 1197 CD ARG A 75 -11.847 30.997 12.638 1.00 1.00 C ATOM 1198 NE ARG A 75 -11.866 30.055 11.471 1.00 1.00 N ATOM 1199 CZ ARG A 75 -11.193 28.894 11.439 1.00 1.00 C ATOM 1200 NH1 ARG A 75 -10.747 28.285 12.527 1.00 1.00 N ATOM 1201 NH2 ARG A 75 -10.971 28.350 10.248 1.00 1.00 N ATOM 0 H ARG A 75 -13.145 32.161 17.337 1.00 1.00 H new ATOM 0 HA ARG A 75 -12.241 29.835 16.086 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -14.004 31.284 15.385 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -12.798 32.409 14.792 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -12.883 29.535 13.816 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -13.923 30.762 13.122 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -11.989 32.022 12.297 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -10.879 30.959 13.137 1.00 1.00 H new ATOM 0 HE ARG A 75 -12.422 30.311 10.655 1.00 1.00 H new ATOM 0 HH11 ARG A 75 -10.910 28.698 13.445 1.00 1.00 H new ATOM 0 HH12 ARG A 75 -10.241 27.403 12.447 1.00 1.00 H new ATOM 0 HH21 ARG A 75 -11.308 28.814 9.405 1.00 1.00 H new ATOM 0 HH22 ARG A 75 -10.463 27.468 10.177 1.00 1.00 H new ATOM 1215 N ARG A 76 -10.033 32.198 15.862 1.00 1.00 N ATOM 1216 CA ARG A 76 -8.596 32.528 15.683 1.00 1.00 C ATOM 1217 C ARG A 76 -7.693 31.708 16.567 1.00 1.00 C ATOM 1218 O ARG A 76 -6.659 31.180 16.158 1.00 1.00 O ATOM 1219 CB ARG A 76 -8.335 33.987 15.734 1.00 1.00 C ATOM 1220 CG ARG A 76 -9.094 34.834 14.698 1.00 1.00 C ATOM 1221 CD ARG A 76 -8.969 36.344 14.861 1.00 1.00 C ATOM 1222 NE ARG A 76 -9.819 36.955 13.784 1.00 1.00 N ATOM 1223 CZ ARG A 76 -10.085 38.262 13.677 1.00 1.00 C ATOM 1224 NH1 ARG A 76 -9.580 39.170 14.508 1.00 1.00 N ATOM 1225 NH2 ARG A 76 -10.894 38.682 12.707 1.00 1.00 N ATOM 0 H ARG A 76 -10.588 33.016 16.115 1.00 1.00 H new ATOM 0 HA ARG A 76 -8.333 32.231 14.668 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -8.590 34.349 16.730 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -7.266 34.152 15.599 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -8.738 34.564 13.704 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -10.150 34.568 14.742 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -9.307 36.658 15.848 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -7.931 36.661 14.764 1.00 1.00 H new ATOM 0 HE ARG A 76 -10.222 36.330 13.085 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -8.962 38.880 15.266 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -9.811 40.156 14.387 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -11.302 38.010 12.057 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -11.105 39.675 12.614 1.00 1.00 H new ATOM 1239 N LEU A 77 -8.024 31.627 17.870 1.00 1.00 N ATOM 1240 CA LEU A 77 -7.298 30.812 18.859 1.00 1.00 C ATOM 1241 C LEU A 77 -7.284 29.330 18.515 1.00 1.00 C ATOM 1242 O LEU A 77 -6.245 28.672 18.557 1.00 1.00 O ATOM 1243 CB LEU A 77 -7.827 31.060 20.272 1.00 1.00 C ATOM 1244 CG LEU A 77 -7.021 30.375 21.407 1.00 1.00 C ATOM 1245 CD1 LEU A 77 -5.560 30.851 21.457 1.00 1.00 C ATOM 1246 CD2 LEU A 77 -7.691 30.610 22.768 1.00 1.00 C ATOM 0 H LEU A 77 -8.814 32.133 18.269 1.00 1.00 H new ATOM 0 HA LEU A 77 -6.258 31.136 18.826 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -7.840 32.135 20.455 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -8.860 30.715 20.322 1.00 1.00 H new ATOM 0 HG LEU A 77 -7.014 29.308 21.186 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -5.039 30.342 22.268 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -5.070 30.622 20.511 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -5.534 31.927 21.628 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -7.109 30.121 23.549 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -7.741 31.680 22.969 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -8.699 30.196 22.754 1.00 1.00 H new ATOM 1258 N ARG A 78 -8.439 28.750 18.133 1.00 1.00 N ATOM 1259 CA ARG A 78 -8.505 27.402 17.590 1.00 1.00 C ATOM 1260 C ARG A 78 -7.666 27.199 16.330 1.00 1.00 C ATOM 1261 O ARG A 78 -6.893 26.247 16.242 1.00 1.00 O ATOM 1262 CB ARG A 78 -9.980 27.076 17.295 1.00 1.00 C ATOM 1263 CG ARG A 78 -10.809 26.879 18.576 1.00 1.00 C ATOM 1264 CD ARG A 78 -12.318 26.952 18.334 1.00 1.00 C ATOM 1265 NE ARG A 78 -12.941 26.414 19.578 1.00 1.00 N ATOM 1266 CZ ARG A 78 -14.228 26.568 19.922 1.00 1.00 C ATOM 1267 NH1 ARG A 78 -15.059 27.333 19.226 1.00 1.00 N ATOM 1268 NH2 ARG A 78 -14.695 25.935 20.994 1.00 1.00 N ATOM 0 H ARG A 78 -9.346 29.213 18.197 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.084 26.728 18.336 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -10.416 27.882 16.705 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -10.034 26.172 16.689 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -10.564 25.912 19.014 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -10.527 27.639 19.304 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -12.637 27.977 18.145 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -12.606 26.363 17.463 1.00 1.00 H new ATOM 0 HE ARG A 78 -12.342 25.889 20.216 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -14.725 27.828 18.399 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -16.032 27.426 19.518 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -14.076 25.340 21.545 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -15.672 26.044 21.266 1.00 1.00 H new ATOM 1282 N LYS A 79 -7.725 28.124 15.351 1.00 1.00 N ATOM 1283 CA LYS A 79 -6.911 28.061 14.144 1.00 1.00 C ATOM 1284 C LYS A 79 -5.409 28.103 14.419 1.00 1.00 C ATOM 1285 O LYS A 79 -4.613 27.385 13.808 1.00 1.00 O ATOM 1286 CB LYS A 79 -7.301 29.207 13.176 1.00 1.00 C ATOM 1287 CG LYS A 79 -6.686 29.129 11.765 1.00 1.00 C ATOM 1288 CD LYS A 79 -6.926 27.777 11.065 1.00 1.00 C ATOM 1289 CE LYS A 79 -6.571 27.725 9.572 1.00 1.00 C ATOM 1290 NZ LYS A 79 -5.210 28.240 9.341 1.00 1.00 N ATOM 0 H LYS A 79 -8.344 28.934 15.386 1.00 1.00 H new ATOM 0 HA LYS A 79 -7.118 27.094 13.686 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -8.387 29.222 13.079 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -7.008 30.155 13.628 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -7.103 29.927 11.151 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -5.613 29.308 11.834 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -6.347 27.013 11.584 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -7.977 27.512 11.179 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -6.643 26.699 9.212 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -7.289 28.314 9.002 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -4.952 28.103 8.343 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -5.179 29.254 9.570 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -4.537 27.727 9.947 1.00 1.00 H new ATOM 1304 N ALA A 80 -4.996 28.935 15.392 1.00 1.00 N ATOM 1305 CA ALA A 80 -3.643 29.026 15.887 1.00 1.00 C ATOM 1306 C ALA A 80 -3.101 27.751 16.535 1.00 1.00 C ATOM 1307 O ALA A 80 -1.935 27.402 16.346 1.00 1.00 O ATOM 1308 CB ALA A 80 -3.541 30.197 16.882 1.00 1.00 C ATOM 0 H ALA A 80 -5.632 29.579 15.862 1.00 1.00 H new ATOM 0 HA ALA A 80 -3.019 29.191 15.009 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -2.520 30.268 17.257 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -3.808 31.126 16.379 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -4.223 30.027 17.715 1.00 1.00 H new ATOM 1314 N LEU A 81 -3.918 27.002 17.307 1.00 1.00 N ATOM 1315 CA LEU A 81 -3.439 25.846 18.036 1.00 1.00 C ATOM 1316 C LEU A 81 -3.665 24.558 17.260 1.00 1.00 C ATOM 1317 O LEU A 81 -3.205 23.490 17.669 1.00 1.00 O ATOM 1318 CB LEU A 81 -4.174 25.751 19.395 1.00 1.00 C ATOM 1319 CG LEU A 81 -3.920 26.923 20.366 1.00 1.00 C ATOM 1320 CD1 LEU A 81 -4.816 26.783 21.606 1.00 1.00 C ATOM 1321 CD2 LEU A 81 -2.447 27.017 20.788 1.00 1.00 C ATOM 0 H LEU A 81 -4.912 27.192 17.430 1.00 1.00 H new ATOM 0 HA LEU A 81 -2.367 25.970 18.189 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -5.245 25.683 19.206 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -3.878 24.824 19.885 1.00 1.00 H new ATOM 0 HG LEU A 81 -4.167 27.844 19.838 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -4.630 27.615 22.285 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -5.863 26.791 21.301 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.593 25.844 22.112 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -2.317 27.856 21.471 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -2.152 26.094 21.287 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -1.825 27.167 19.906 1.00 1.00 H new ATOM 1333 N GLU A 82 -4.334 24.637 16.090 1.00 1.00 N ATOM 1334 CA GLU A 82 -4.583 23.532 15.179 1.00 1.00 C ATOM 1335 C GLU A 82 -3.339 22.827 14.622 1.00 1.00 C ATOM 1336 O GLU A 82 -3.324 21.595 14.680 1.00 1.00 O ATOM 1337 CB GLU A 82 -5.514 23.992 14.024 1.00 1.00 C ATOM 1338 CG GLU A 82 -5.849 22.870 13.013 1.00 1.00 C ATOM 1339 CD GLU A 82 -6.842 23.292 11.941 1.00 1.00 C ATOM 1340 OE1 GLU A 82 -7.510 24.310 11.908 1.00 1.00 O ATOM 1341 OE2 GLU A 82 -6.918 22.345 10.966 1.00 1.00 O ATOM 0 H GLU A 82 -4.726 25.516 15.753 1.00 1.00 H new ATOM 0 HA GLU A 82 -5.070 22.772 15.790 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -6.442 24.376 14.448 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -5.040 24.818 13.493 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -4.928 22.538 12.533 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -6.253 22.014 13.554 1.00 1.00 H new ATOM 1349 N PRO A 83 -2.243 23.433 14.134 1.00 1.00 N ATOM 1350 CA PRO A 83 -1.096 22.668 13.637 1.00 1.00 C ATOM 1351 C PRO A 83 -0.354 21.990 14.771 1.00 1.00 C ATOM 1352 O PRO A 83 0.364 21.018 14.541 1.00 1.00 O ATOM 1353 CB PRO A 83 -0.226 23.700 12.896 1.00 1.00 C ATOM 1354 CG PRO A 83 -0.674 25.060 13.441 1.00 1.00 C ATOM 1355 CD PRO A 83 -2.156 24.840 13.735 1.00 1.00 C ATOM 0 HA PRO A 83 -1.393 21.855 12.975 1.00 1.00 H new ATOM 0 HB2 PRO A 83 0.834 23.530 13.083 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -0.373 23.639 11.818 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -0.121 25.337 14.339 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -0.521 25.857 12.713 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -2.506 25.500 14.528 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -2.770 25.043 12.857 1.00 1.00 H new ATOM 1363 N GLY A 84 -0.520 22.485 16.012 1.00 1.00 N ATOM 1364 CA GLY A 84 -0.034 21.822 17.212 1.00 1.00 C ATOM 1365 C GLY A 84 -0.969 20.776 17.759 1.00 1.00 C ATOM 1366 O GLY A 84 -0.607 20.069 18.693 1.00 1.00 O ATOM 0 H GLY A 84 -1.001 23.365 16.199 1.00 1.00 H new ATOM 0 HA2 GLY A 84 0.927 21.356 16.993 1.00 1.00 H new ATOM 0 HA3 GLY A 84 0.144 22.573 17.982 1.00 1.00 H new ATOM 1370 N GLY A 85 -2.203 20.650 17.221 1.00 1.00 N ATOM 1371 CA GLY A 85 -3.195 19.661 17.651 1.00 1.00 C ATOM 1372 C GLY A 85 -3.893 19.975 18.948 1.00 1.00 C ATOM 1373 O GLY A 85 -4.545 19.118 19.539 1.00 1.00 O ATOM 0 H GLY A 85 -2.535 21.247 16.463 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -3.946 19.559 16.868 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -2.702 18.694 17.747 1.00 1.00 H new ATOM 1377 N HIS A 86 -3.739 21.205 19.467 1.00 1.00 N ATOM 1378 CA HIS A 86 -4.183 21.551 20.810 1.00 1.00 C ATOM 1379 C HIS A 86 -5.333 22.541 20.812 1.00 1.00 C ATOM 1380 O HIS A 86 -5.717 23.059 21.856 1.00 1.00 O ATOM 1381 CB HIS A 86 -3.006 22.061 21.675 1.00 1.00 C ATOM 1382 CG HIS A 86 -1.981 20.974 21.891 1.00 1.00 C ATOM 1383 ND1 HIS A 86 -0.745 20.787 21.372 1.00 1.00 N flip ATOM 1384 CD2 HIS A 86 -2.236 19.896 22.688 1.00 1.00 C flip ATOM 1385 CE1 HIS A 86 -0.283 19.599 21.868 1.00 1.00 C flip ATOM 1386 NE2 HIS A 86 -1.199 19.076 22.660 1.00 1.00 N flip ATOM 0 H HIS A 86 -3.304 21.978 18.963 1.00 1.00 H new ATOM 0 HA HIS A 86 -4.563 20.632 21.257 1.00 1.00 H new ATOM 0 HB2 HIS A 86 -2.537 22.916 21.189 1.00 1.00 H new ATOM 0 HB3 HIS A 86 -3.381 22.408 22.638 1.00 1.00 H new ATOM 0 HD2 HIS A 86 -3.143 19.737 23.253 1.00 1.00 H new ATOM 0 HE1 HIS A 86 0.678 19.159 21.647 1.00 1.00 H new ATOM 0 HE2 HIS A 86 -1.121 18.192 23.163 1.00 1.00 H new ATOM 1395 N ASP A 87 -5.970 22.774 19.647 1.00 1.00 N ATOM 1396 CA ASP A 87 -7.219 23.494 19.487 1.00 1.00 C ATOM 1397 C ASP A 87 -8.387 22.889 20.269 1.00 1.00 C ATOM 1398 O ASP A 87 -9.269 23.591 20.765 1.00 1.00 O ATOM 1399 CB ASP A 87 -7.536 23.612 17.969 1.00 1.00 C ATOM 1400 CG ASP A 87 -7.720 22.289 17.245 1.00 1.00 C ATOM 1401 OD1 ASP A 87 -6.820 21.412 17.300 1.00 1.00 O ATOM 1402 OD2 ASP A 87 -8.783 22.133 16.587 1.00 1.00 O ATOM 0 H ASP A 87 -5.597 22.443 18.757 1.00 1.00 H new ATOM 0 HA ASP A 87 -7.090 24.487 19.919 1.00 1.00 H new ATOM 0 HB2 ASP A 87 -8.443 24.204 17.848 1.00 1.00 H new ATOM 0 HB3 ASP A 87 -6.729 24.163 17.487 1.00 1.00 H new ATOM 1407 N ARG A 88 -8.371 21.552 20.425 1.00 1.00 N ATOM 1408 CA ARG A 88 -9.363 20.723 21.080 1.00 1.00 C ATOM 1409 C ARG A 88 -9.720 21.118 22.513 1.00 1.00 C ATOM 1410 O ARG A 88 -10.860 20.942 22.941 1.00 1.00 O ATOM 1411 CB ARG A 88 -8.884 19.249 21.025 1.00 1.00 C ATOM 1412 CG ARG A 88 -7.568 18.961 21.783 1.00 1.00 C ATOM 1413 CD ARG A 88 -6.991 17.567 21.505 1.00 1.00 C ATOM 1414 NE ARG A 88 -5.960 17.316 22.566 1.00 1.00 N ATOM 1415 CZ ARG A 88 -4.711 16.871 22.364 1.00 1.00 C ATOM 1416 NH1 ARG A 88 -4.130 16.916 21.176 1.00 1.00 N ATOM 1417 NH2 ARG A 88 -4.035 16.423 23.420 1.00 1.00 N ATOM 0 H ARG A 88 -7.598 20.994 20.063 1.00 1.00 H new ATOM 0 HA ARG A 88 -10.292 20.870 20.530 1.00 1.00 H new ATOM 0 HB2 ARG A 88 -9.668 18.612 21.434 1.00 1.00 H new ATOM 0 HB3 ARG A 88 -8.754 18.964 19.981 1.00 1.00 H new ATOM 0 HG2 ARG A 88 -6.828 19.713 21.508 1.00 1.00 H new ATOM 0 HG3 ARG A 88 -7.745 19.065 22.854 1.00 1.00 H new ATOM 0 HD2 ARG A 88 -7.774 16.809 21.537 1.00 1.00 H new ATOM 0 HD3 ARG A 88 -6.545 17.522 20.512 1.00 1.00 H new ATOM 0 HE ARG A 88 -6.235 17.501 23.531 1.00 1.00 H new ATOM 0 HH11 ARG A 88 -4.634 17.299 20.376 1.00 1.00 H new ATOM 0 HH12 ARG A 88 -3.178 16.568 21.060 1.00 1.00 H new ATOM 0 HH21 ARG A 88 -4.470 16.426 24.343 1.00 1.00 H new ATOM 0 HH22 ARG A 88 -3.082 16.076 23.306 1.00 1.00 H new ATOM 1431 N MET A 89 -8.761 21.688 23.278 1.00 1.00 N ATOM 1432 CA MET A 89 -8.925 22.116 24.660 1.00 1.00 C ATOM 1433 C MET A 89 -9.969 23.198 24.873 1.00 1.00 C ATOM 1434 O MET A 89 -10.632 23.247 25.909 1.00 1.00 O ATOM 1435 CB MET A 89 -7.607 22.692 25.226 1.00 1.00 C ATOM 1436 CG MET A 89 -6.390 21.774 25.046 1.00 1.00 C ATOM 1437 SD MET A 89 -4.828 22.506 25.625 1.00 1.00 S ATOM 1438 CE MET A 89 -5.244 22.356 27.380 1.00 1.00 C ATOM 0 H MET A 89 -7.821 21.863 22.923 1.00 1.00 H new ATOM 0 HA MET A 89 -9.244 21.207 25.169 1.00 1.00 H new ATOM 0 HB2 MET A 89 -7.403 23.646 24.741 1.00 1.00 H new ATOM 0 HB3 MET A 89 -7.740 22.896 26.288 1.00 1.00 H new ATOM 0 HG2 MET A 89 -6.566 20.843 25.584 1.00 1.00 H new ATOM 0 HG3 MET A 89 -6.292 21.518 23.991 1.00 1.00 H new ATOM 0 HE1 MET A 89 -4.368 22.596 27.983 1.00 1.00 H new ATOM 0 HE2 MET A 89 -6.052 23.046 27.623 1.00 1.00 H new ATOM 0 HE3 MET A 89 -5.562 21.335 27.593 1.00 1.00 H new ATOM 1448 N VAL A 90 -10.092 24.125 23.903 1.00 1.00 N ATOM 1449 CA VAL A 90 -11.025 25.240 23.946 1.00 1.00 C ATOM 1450 C VAL A 90 -12.441 24.762 23.647 1.00 1.00 C ATOM 1451 O VAL A 90 -12.844 24.607 22.495 1.00 1.00 O ATOM 1452 CB VAL A 90 -10.647 26.350 22.959 1.00 1.00 C ATOM 1453 CG1 VAL A 90 -11.571 27.573 23.143 1.00 1.00 C ATOM 1454 CG2 VAL A 90 -9.177 26.774 23.164 1.00 1.00 C ATOM 0 H VAL A 90 -9.527 24.108 23.054 1.00 1.00 H new ATOM 0 HA VAL A 90 -10.978 25.653 24.954 1.00 1.00 H new ATOM 0 HB VAL A 90 -10.768 25.963 21.947 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -11.289 28.352 22.435 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -12.605 27.278 22.965 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -11.472 27.954 24.159 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -8.924 27.563 22.456 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -9.043 27.143 24.181 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -8.525 25.916 23.000 1.00 1.00 H new ATOM 1464 N GLN A 91 -13.249 24.530 24.692 1.00 1.00 N ATOM 1465 CA GLN A 91 -14.618 24.085 24.576 1.00 1.00 C ATOM 1466 C GLN A 91 -15.575 25.257 24.672 1.00 1.00 C ATOM 1467 O GLN A 91 -15.261 26.321 25.209 1.00 1.00 O ATOM 1468 CB GLN A 91 -14.995 23.074 25.685 1.00 1.00 C ATOM 1469 CG GLN A 91 -14.098 21.818 25.713 1.00 1.00 C ATOM 1470 CD GLN A 91 -14.726 20.776 26.634 1.00 1.00 C ATOM 1471 OE1 GLN A 91 -14.876 20.977 27.846 1.00 1.00 O ATOM 1472 NE2 GLN A 91 -15.176 19.647 26.048 1.00 1.00 N ATOM 0 H GLN A 91 -12.947 24.654 25.658 1.00 1.00 H new ATOM 0 HA GLN A 91 -14.701 23.601 23.603 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -14.937 23.572 26.653 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -16.031 22.766 25.546 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -13.987 21.413 24.707 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -13.099 22.077 26.064 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -15.041 19.503 25.047 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -15.651 18.937 26.606 1.00 1.00 H new ATOM 1481 N THR A 92 -16.797 25.068 24.159 1.00 1.00 N ATOM 1482 CA THR A 92 -17.827 26.092 24.124 1.00 1.00 C ATOM 1483 C THR A 92 -18.969 25.647 25.000 1.00 1.00 C ATOM 1484 O THR A 92 -19.419 24.501 24.943 1.00 1.00 O ATOM 1485 CB THR A 92 -18.376 26.362 22.730 1.00 1.00 C ATOM 1486 OG1 THR A 92 -17.320 26.698 21.836 1.00 1.00 O ATOM 1487 CG2 THR A 92 -19.339 27.559 22.761 1.00 1.00 C ATOM 0 H THR A 92 -17.094 24.181 23.752 1.00 1.00 H new ATOM 0 HA THR A 92 -17.367 27.017 24.472 1.00 1.00 H new ATOM 0 HB THR A 92 -18.889 25.459 22.398 1.00 1.00 H new ATOM 0 HG1 THR A 92 -16.889 27.526 22.135 1.00 1.00 H new ATOM 0 HG21 THR A 92 -19.725 27.742 21.758 1.00 1.00 H new ATOM 0 HG22 THR A 92 -20.168 27.342 23.435 1.00 1.00 H new ATOM 0 HG23 THR A 92 -18.808 28.444 23.112 1.00 1.00 H new ATOM 1495 N VAL A 93 -19.467 26.557 25.855 1.00 1.00 N ATOM 1496 CA VAL A 93 -20.587 26.308 26.737 1.00 1.00 C ATOM 1497 C VAL A 93 -21.739 27.159 26.242 1.00 1.00 C ATOM 1498 O VAL A 93 -21.782 28.375 26.439 1.00 1.00 O ATOM 1499 CB VAL A 93 -20.255 26.656 28.182 1.00 1.00 C ATOM 1500 CG1 VAL A 93 -21.462 26.364 29.093 1.00 1.00 C ATOM 1501 CG2 VAL A 93 -19.044 25.818 28.636 1.00 1.00 C ATOM 0 H VAL A 93 -19.085 27.499 25.943 1.00 1.00 H new ATOM 0 HA VAL A 93 -20.842 25.248 26.723 1.00 1.00 H new ATOM 0 HB VAL A 93 -20.017 27.717 28.251 1.00 1.00 H new ATOM 0 HG11 VAL A 93 -21.210 26.617 30.123 1.00 1.00 H new ATOM 0 HG12 VAL A 93 -22.314 26.962 28.770 1.00 1.00 H new ATOM 0 HG13 VAL A 93 -21.717 25.306 29.032 1.00 1.00 H new ATOM 0 HG21 VAL A 93 -18.800 26.062 29.670 1.00 1.00 H new ATOM 0 HG22 VAL A 93 -19.286 24.758 28.560 1.00 1.00 H new ATOM 0 HG23 VAL A 93 -18.188 26.041 27.999 1.00 1.00 H new ATOM 1511 N ARG A 94 -22.714 26.516 25.569 1.00 1.00 N ATOM 1512 CA ARG A 94 -23.859 27.151 24.948 1.00 1.00 C ATOM 1513 C ARG A 94 -24.696 27.970 25.929 1.00 1.00 C ATOM 1514 O ARG A 94 -25.092 27.490 26.994 1.00 1.00 O ATOM 1515 CB ARG A 94 -24.765 26.068 24.315 1.00 1.00 C ATOM 1516 CG ARG A 94 -25.930 26.625 23.478 1.00 1.00 C ATOM 1517 CD ARG A 94 -26.830 25.533 22.895 1.00 1.00 C ATOM 1518 NE ARG A 94 -27.811 26.234 22.015 1.00 1.00 N ATOM 1519 CZ ARG A 94 -28.962 26.783 22.422 1.00 1.00 C ATOM 1520 NH1 ARG A 94 -29.447 26.600 23.644 1.00 1.00 N ATOM 1521 NH2 ARG A 94 -29.633 27.563 21.580 1.00 1.00 N ATOM 0 H ARG A 94 -22.711 25.503 25.447 1.00 1.00 H new ATOM 0 HA ARG A 94 -23.468 27.836 24.195 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -24.154 25.425 23.682 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -25.171 25.441 25.109 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -26.531 27.288 24.100 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -25.528 27.228 22.664 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -26.246 24.808 22.328 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -27.339 24.983 23.687 1.00 1.00 H new ATOM 0 HE ARG A 94 -27.586 26.300 21.022 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -28.938 26.022 24.313 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -30.328 27.037 23.914 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -29.269 27.734 20.643 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -30.512 27.991 21.871 1.00 1.00 H new ATOM 1535 N GLY A 95 -24.978 29.243 25.586 1.00 1.00 N ATOM 1536 CA GLY A 95 -25.756 30.177 26.391 1.00 1.00 C ATOM 1537 C GLY A 95 -24.962 30.869 27.468 1.00 1.00 C ATOM 1538 O GLY A 95 -25.508 31.672 28.225 1.00 1.00 O ATOM 0 H GLY A 95 -24.655 29.653 24.710 1.00 1.00 H new ATOM 0 HA2 GLY A 95 -26.192 30.930 25.735 1.00 1.00 H new ATOM 0 HA3 GLY A 95 -26.584 29.640 26.853 1.00 1.00 H new ATOM 1542 N THR A 96 -23.646 30.603 27.558 1.00 1.00 N ATOM 1543 CA THR A 96 -22.812 31.142 28.629 1.00 1.00 C ATOM 1544 C THR A 96 -21.514 31.675 28.077 1.00 1.00 C ATOM 1545 O THR A 96 -21.213 32.859 28.209 1.00 1.00 O ATOM 1546 CB THR A 96 -22.460 30.134 29.727 1.00 1.00 C ATOM 1547 OG1 THR A 96 -23.627 29.534 30.271 1.00 1.00 O ATOM 1548 CG2 THR A 96 -21.756 30.840 30.899 1.00 1.00 C ATOM 0 H THR A 96 -23.142 30.014 26.895 1.00 1.00 H new ATOM 0 HA THR A 96 -23.419 31.929 29.076 1.00 1.00 H new ATOM 0 HB THR A 96 -21.818 29.384 29.265 1.00 1.00 H new ATOM 0 HG1 THR A 96 -23.371 28.894 30.968 1.00 1.00 H new ATOM 0 HG21 THR A 96 -21.513 30.110 31.671 1.00 1.00 H new ATOM 0 HG22 THR A 96 -20.840 31.310 30.543 1.00 1.00 H new ATOM 0 HG23 THR A 96 -22.416 31.601 31.315 1.00 1.00 H new ATOM 1556 N GLY A 97 -20.674 30.828 27.455 1.00 1.00 N ATOM 1557 CA GLY A 97 -19.328 31.253 27.103 1.00 1.00 C ATOM 1558 C GLY A 97 -18.437 30.095 26.781 1.00 1.00 C ATOM 1559 O GLY A 97 -18.767 29.256 25.950 1.00 1.00 O ATOM 0 H GLY A 97 -20.905 29.869 27.195 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -19.373 31.924 26.245 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -18.900 31.820 27.930 1.00 1.00 H new ATOM 1563 N TYR A 98 -17.252 30.020 27.415 1.00 1.00 N ATOM 1564 CA TYR A 98 -16.214 29.103 26.972 1.00 1.00 C ATOM 1565 C TYR A 98 -15.477 28.488 28.159 1.00 1.00 C ATOM 1566 O TYR A 98 -15.439 29.032 29.266 1.00 1.00 O ATOM 1567 CB TYR A 98 -15.194 29.800 26.020 1.00 1.00 C ATOM 1568 CG TYR A 98 -15.863 30.357 24.780 1.00 1.00 C ATOM 1569 CD1 TYR A 98 -16.184 29.523 23.695 1.00 1.00 C ATOM 1570 CD2 TYR A 98 -16.190 31.725 24.690 1.00 1.00 C ATOM 1571 CE1 TYR A 98 -16.804 30.051 22.550 1.00 1.00 C ATOM 1572 CE2 TYR A 98 -16.784 32.250 23.531 1.00 1.00 C ATOM 1573 CZ TYR A 98 -17.077 31.406 22.454 1.00 1.00 C ATOM 1574 OH TYR A 98 -17.638 31.885 21.251 1.00 1.00 O ATOM 0 H TYR A 98 -17.002 30.583 28.228 1.00 1.00 H new ATOM 0 HA TYR A 98 -16.712 28.309 26.416 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -14.692 30.607 26.554 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -14.425 29.085 25.727 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -15.952 28.469 23.742 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -15.981 32.379 25.524 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -17.071 29.393 21.736 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -17.014 33.303 23.471 1.00 1.00 H new ATOM 0 HH TYR A 98 -18.182 31.181 20.840 1.00 1.00 H new ATOM 1584 N ARG A 99 -14.880 27.299 27.944 1.00 1.00 N ATOM 1585 CA ARG A 99 -14.259 26.478 28.971 1.00 1.00 C ATOM 1586 C ARG A 99 -12.967 25.896 28.419 1.00 1.00 C ATOM 1587 O ARG A 99 -12.927 25.417 27.291 1.00 1.00 O ATOM 1588 CB ARG A 99 -15.237 25.348 29.387 1.00 1.00 C ATOM 1589 CG ARG A 99 -14.734 24.361 30.462 1.00 1.00 C ATOM 1590 CD ARG A 99 -15.834 23.387 30.907 1.00 1.00 C ATOM 1591 NE ARG A 99 -15.244 22.446 31.909 1.00 1.00 N ATOM 1592 CZ ARG A 99 -15.959 21.783 32.829 1.00 1.00 C ATOM 1593 NH1 ARG A 99 -17.267 21.929 32.986 1.00 1.00 N ATOM 1594 NH2 ARG A 99 -15.315 20.924 33.615 1.00 1.00 N ATOM 0 H ARG A 99 -14.821 26.881 27.016 1.00 1.00 H new ATOM 0 HA ARG A 99 -14.030 27.079 29.851 1.00 1.00 H new ATOM 0 HB2 ARG A 99 -16.156 25.809 29.750 1.00 1.00 H new ATOM 0 HB3 ARG A 99 -15.498 24.777 28.496 1.00 1.00 H new ATOM 0 HG2 ARG A 99 -13.888 23.797 30.069 1.00 1.00 H new ATOM 0 HG3 ARG A 99 -14.372 24.919 31.326 1.00 1.00 H new ATOM 0 HD2 ARG A 99 -16.671 23.932 31.343 1.00 1.00 H new ATOM 0 HD3 ARG A 99 -16.224 22.836 30.051 1.00 1.00 H new ATOM 0 HE ARG A 99 -14.235 22.300 31.891 1.00 1.00 H new ATOM 0 HH11 ARG A 99 -17.784 22.574 32.388 1.00 1.00 H new ATOM 0 HH12 ARG A 99 -17.757 21.396 33.705 1.00 1.00 H new ATOM 0 HH21 ARG A 99 -14.310 20.788 33.506 1.00 1.00 H new ATOM 0 HH22 ARG A 99 -15.826 20.402 34.326 1.00 1.00 H new ATOM 1608 N PHE A 100 -11.858 25.928 29.181 1.00 1.00 N ATOM 1609 CA PHE A 100 -10.567 25.454 28.720 1.00 1.00 C ATOM 1610 C PHE A 100 -10.227 24.188 29.467 1.00 1.00 C ATOM 1611 O PHE A 100 -10.195 24.172 30.691 1.00 1.00 O ATOM 1612 CB PHE A 100 -9.494 26.538 28.966 1.00 1.00 C ATOM 1613 CG PHE A 100 -8.190 26.210 28.297 1.00 1.00 C ATOM 1614 CD1 PHE A 100 -8.070 26.287 26.900 1.00 1.00 C ATOM 1615 CD2 PHE A 100 -7.053 25.919 29.066 1.00 1.00 C ATOM 1616 CE1 PHE A 100 -6.826 26.104 26.280 1.00 1.00 C ATOM 1617 CE2 PHE A 100 -5.810 25.742 28.451 1.00 1.00 C ATOM 1618 CZ PHE A 100 -5.694 25.837 27.059 1.00 1.00 C ATOM 0 H PHE A 100 -11.846 26.287 30.136 1.00 1.00 H new ATOM 0 HA PHE A 100 -10.600 25.246 27.651 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -9.858 27.497 28.597 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -9.332 26.649 30.038 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -8.944 26.489 26.298 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -7.139 25.831 30.139 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -6.741 26.169 25.205 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -4.937 25.531 29.051 1.00 1.00 H new ATOM 0 HZ PHE A 100 -4.732 25.704 26.587 1.00 1.00 H new ATOM 1628 N SER A 101 -10.003 23.066 28.766 1.00 1.00 N ATOM 1629 CA SER A 101 -10.017 21.767 29.423 1.00 1.00 C ATOM 1630 C SER A 101 -8.707 21.012 29.336 1.00 1.00 C ATOM 1631 O SER A 101 -8.027 20.963 28.315 1.00 1.00 O ATOM 1632 CB SER A 101 -11.185 20.895 28.899 1.00 1.00 C ATOM 1633 OG SER A 101 -11.142 19.555 29.394 1.00 1.00 O ATOM 0 H SER A 101 -9.814 23.039 27.764 1.00 1.00 H new ATOM 0 HA SER A 101 -10.168 21.978 30.482 1.00 1.00 H new ATOM 0 HB2 SER A 101 -12.131 21.353 29.186 1.00 1.00 H new ATOM 0 HB3 SER A 101 -11.158 20.876 27.810 1.00 1.00 H new ATOM 0 HG SER A 101 -10.815 19.558 30.318 1.00 1.00 H new ATOM 1639 N THR A 102 -8.359 20.354 30.459 1.00 1.00 N ATOM 1640 CA THR A 102 -7.187 19.511 30.629 1.00 1.00 C ATOM 1641 C THR A 102 -7.505 18.042 30.385 1.00 1.00 C ATOM 1642 O THR A 102 -6.648 17.184 30.568 1.00 1.00 O ATOM 1643 CB THR A 102 -6.584 19.636 32.030 1.00 1.00 C ATOM 1644 OG1 THR A 102 -7.580 19.857 33.028 1.00 1.00 O ATOM 1645 CG2 THR A 102 -5.684 20.880 32.035 1.00 1.00 C ATOM 0 H THR A 102 -8.924 20.407 31.307 1.00 1.00 H new ATOM 0 HA THR A 102 -6.467 19.862 29.889 1.00 1.00 H new ATOM 0 HB THR A 102 -6.054 18.710 32.253 1.00 1.00 H new ATOM 0 HG1 THR A 102 -7.152 19.929 33.907 1.00 1.00 H new ATOM 0 HG21 THR A 102 -5.236 21.001 33.021 1.00 1.00 H new ATOM 0 HG22 THR A 102 -4.897 20.762 31.291 1.00 1.00 H new ATOM 0 HG23 THR A 102 -6.280 21.761 31.797 1.00 1.00 H new