USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 478 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 27 SER OG : rot 145:sc= -0.542 USER MOD Set 1.2: A 49 SER OG : rot -175:sc= -0.249 USER MOD Set 2.1: A 18 GLN : amide:sc= -1.73 K(o=-4.4,f=-4.9) USER MOD Set 2.2: A 21 MET CE :methyl 147:sc= -2.65! (180deg=-6.86!) USER MOD Single : A 16 GLN : amide:sc= -0.158 K(o=-0.16,f=-2!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -145:sc= -7.48! (180deg=-9.48!) USER MOD Single : A 33 CYS SG : rot 170:sc=-0.00248 USER MOD Single : A 36 HIS : no HD1:sc= -5.4! C(o=-5.4!,f=-5.4!) USER MOD Single : A 37 ASN :FLIP amide:sc= -2.79 F(o=-5.4,f=-2.8) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.859 X(o=-0.86,f=-1.3) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.251 USER MOD Single : A 59 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.4) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00552 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 15:sc= -0.701 USER MOD Single : A 83 SER OG : rot 85:sc= 0.00148 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 16 2.938 -4.544 -4.802 1.00 0.00 N ATOM 31 CA GLN A 16 4.171 -5.263 -5.077 1.00 0.00 C ATOM 32 C GLN A 16 4.542 -5.131 -6.556 1.00 0.00 C ATOM 33 O GLN A 16 5.701 -4.889 -6.889 1.00 0.00 O ATOM 34 CB GLN A 16 4.051 -6.733 -4.671 1.00 0.00 C ATOM 35 CG GLN A 16 3.275 -6.877 -3.360 1.00 0.00 C ATOM 36 CD GLN A 16 3.681 -8.154 -2.621 1.00 0.00 C ATOM 37 OE1 GLN A 16 4.738 -8.722 -2.843 1.00 0.00 O ATOM 38 NE2 GLN A 16 2.784 -8.573 -1.732 1.00 0.00 N ATOM 0 HA GLN A 16 4.969 -4.820 -4.481 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.547 -7.292 -5.460 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.045 -7.166 -4.559 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.461 -6.010 -2.726 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.205 -6.897 -3.567 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.919 -8.050 -1.595 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.962 -9.417 -1.187 1.00 0.00 H new ATOM 47 N GLU A 17 3.537 -5.297 -7.403 1.00 0.00 N ATOM 48 CA GLU A 17 3.744 -5.200 -8.838 1.00 0.00 C ATOM 49 C GLU A 17 4.453 -3.890 -9.184 1.00 0.00 C ATOM 50 O GLU A 17 5.329 -3.863 -10.048 1.00 0.00 O ATOM 51 CB GLU A 17 2.419 -5.323 -9.592 1.00 0.00 C ATOM 52 CG GLU A 17 2.640 -5.869 -11.004 1.00 0.00 C ATOM 53 CD GLU A 17 2.649 -7.399 -11.004 1.00 0.00 C ATOM 54 OE1 GLU A 17 2.734 -8.019 -9.934 1.00 0.00 O ATOM 55 OE2 GLU A 17 2.563 -7.945 -12.170 1.00 0.00 O ATOM 0 H GLU A 17 2.577 -5.498 -7.123 1.00 0.00 H new ATOM 0 HA GLU A 17 4.380 -6.028 -9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.745 -5.982 -9.045 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.936 -4.347 -9.647 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.853 -5.506 -11.665 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.585 -5.496 -11.398 1.00 0.00 H new ATOM 63 N GLN A 18 4.049 -2.834 -8.494 1.00 0.00 N ATOM 64 CA GLN A 18 4.635 -1.524 -8.718 1.00 0.00 C ATOM 65 C GLN A 18 6.143 -1.566 -8.462 1.00 0.00 C ATOM 66 O GLN A 18 6.908 -0.868 -9.126 1.00 0.00 O ATOM 67 CB GLN A 18 3.960 -0.465 -7.844 1.00 0.00 C ATOM 68 CG GLN A 18 4.818 0.798 -7.751 1.00 0.00 C ATOM 69 CD GLN A 18 5.172 1.324 -9.144 1.00 0.00 C ATOM 70 OE1 GLN A 18 6.316 1.614 -9.454 1.00 0.00 O ATOM 71 NE2 GLN A 18 4.130 1.430 -9.963 1.00 0.00 N ATOM 0 H GLN A 18 3.322 -2.859 -7.779 1.00 0.00 H new ATOM 0 HA GLN A 18 4.471 -1.247 -9.759 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.983 -0.215 -8.258 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.790 -0.867 -6.845 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.282 1.566 -7.194 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.731 0.582 -7.197 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.198 1.170 -9.639 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.262 1.771 -10.915 1.00 0.00 H new ATOM 80 N TRP A 19 6.524 -2.391 -7.498 1.00 0.00 N ATOM 81 CA TRP A 19 7.927 -2.533 -7.147 1.00 0.00 C ATOM 82 C TRP A 19 8.668 -3.077 -8.370 1.00 0.00 C ATOM 83 O TRP A 19 9.834 -2.752 -8.588 1.00 0.00 O ATOM 84 CB TRP A 19 8.095 -3.413 -5.906 1.00 0.00 C ATOM 85 CG TRP A 19 9.410 -3.188 -5.157 1.00 0.00 C ATOM 86 CD1 TRP A 19 9.741 -2.164 -4.359 1.00 0.00 C ATOM 87 CD2 TRP A 19 10.565 -4.054 -5.170 1.00 0.00 C ATOM 88 NE1 TRP A 19 11.019 -2.305 -3.858 1.00 0.00 N ATOM 89 CE2 TRP A 19 11.536 -3.491 -4.367 1.00 0.00 C ATOM 90 CE3 TRP A 19 10.782 -5.272 -5.838 1.00 0.00 C ATOM 91 CZ2 TRP A 19 12.791 -4.076 -4.156 1.00 0.00 C ATOM 92 CZ3 TRP A 19 12.041 -5.843 -5.617 1.00 0.00 C ATOM 93 CH2 TRP A 19 13.029 -5.289 -4.812 1.00 0.00 C ATOM 0 H TRP A 19 5.886 -2.968 -6.949 1.00 0.00 H new ATOM 0 HA TRP A 19 8.357 -1.568 -6.880 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.264 -3.226 -5.225 1.00 0.00 H new ATOM 0 HB3 TRP A 19 8.033 -4.460 -6.204 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.089 -1.332 -4.136 1.00 0.00 H new ATOM 0 HE1 TRP A 19 11.496 -1.658 -3.230 1.00 0.00 H new ATOM 0 HE3 TRP A 19 10.037 -5.731 -6.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 13.534 -3.616 -3.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 12.260 -6.780 -6.107 1.00 0.00 H new ATOM 0 HH2 TRP A 19 13.977 -5.793 -4.693 1.00 0.00 H new ATOM 104 N ALA A 20 7.961 -3.895 -9.135 1.00 0.00 N ATOM 105 CA ALA A 20 8.537 -4.487 -10.330 1.00 0.00 C ATOM 106 C ALA A 20 8.717 -3.403 -11.395 1.00 0.00 C ATOM 107 O ALA A 20 9.774 -3.306 -12.015 1.00 0.00 O ATOM 108 CB ALA A 20 7.648 -5.635 -10.811 1.00 0.00 C ATOM 0 H ALA A 20 6.994 -4.162 -8.950 1.00 0.00 H new ATOM 0 HA ALA A 20 9.521 -4.905 -10.115 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.080 -6.079 -11.708 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.576 -6.392 -10.030 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.653 -5.254 -11.039 1.00 0.00 H new ATOM 114 N MET A 21 7.667 -2.615 -11.574 1.00 0.00 N ATOM 115 CA MET A 21 7.695 -1.541 -12.553 1.00 0.00 C ATOM 116 C MET A 21 8.804 -0.537 -12.234 1.00 0.00 C ATOM 117 O MET A 21 9.237 0.214 -13.107 1.00 0.00 O ATOM 118 CB MET A 21 6.344 -0.824 -12.563 1.00 0.00 C ATOM 119 CG MET A 21 5.749 -0.794 -13.973 1.00 0.00 C ATOM 120 SD MET A 21 5.733 0.879 -14.594 1.00 0.00 S ATOM 121 CE MET A 21 4.231 1.476 -13.837 1.00 0.00 C ATOM 0 H MET A 21 6.791 -2.699 -11.058 1.00 0.00 H new ATOM 0 HA MET A 21 7.894 -1.974 -13.534 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.656 -1.328 -11.885 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.466 0.194 -12.194 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.333 -1.431 -14.637 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.735 -1.194 -13.957 1.00 0.00 H new ATOM 0 HE1 MET A 21 4.337 2.536 -13.605 1.00 0.00 H new ATOM 0 HE2 MET A 21 3.397 1.337 -14.525 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.041 0.921 -12.919 1.00 0.00 H new ATOM 131 N GLN A 22 9.232 -0.556 -10.980 1.00 0.00 N ATOM 132 CA GLN A 22 10.283 0.344 -10.535 1.00 0.00 C ATOM 133 C GLN A 22 11.435 0.355 -11.542 1.00 0.00 C ATOM 134 O GLN A 22 11.617 1.329 -12.271 1.00 0.00 O ATOM 135 CB GLN A 22 10.778 -0.040 -9.139 1.00 0.00 C ATOM 136 CG GLN A 22 11.209 1.199 -8.350 1.00 0.00 C ATOM 137 CD GLN A 22 12.271 0.843 -7.308 1.00 0.00 C ATOM 138 OE1 GLN A 22 13.462 0.844 -7.572 1.00 0.00 O ATOM 139 NE2 GLN A 22 11.774 0.539 -6.112 1.00 0.00 N ATOM 0 H GLN A 22 8.870 -1.180 -10.259 1.00 0.00 H new ATOM 0 HA GLN A 22 9.871 1.351 -10.474 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.988 -0.562 -8.600 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.616 -0.731 -9.224 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.603 1.951 -9.034 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.343 1.640 -7.856 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.766 0.558 -5.959 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.401 0.287 -5.348 1.00 0.00 H new ATOM 148 N THR A 23 12.182 -0.739 -11.549 1.00 0.00 N ATOM 149 CA THR A 23 13.311 -0.867 -12.455 1.00 0.00 C ATOM 150 C THR A 23 12.825 -0.978 -13.901 1.00 0.00 C ATOM 151 O THR A 23 13.267 -0.225 -14.768 1.00 0.00 O ATOM 152 CB THR A 23 14.146 -2.067 -12.002 1.00 0.00 C ATOM 153 OG1 THR A 23 14.518 -1.745 -10.664 1.00 0.00 O ATOM 154 CG2 THR A 23 15.480 -2.166 -12.746 1.00 0.00 C ATOM 0 H THR A 23 12.028 -1.544 -10.942 1.00 0.00 H new ATOM 0 HA THR A 23 13.944 0.020 -12.425 1.00 0.00 H new ATOM 0 HB THR A 23 13.577 -2.984 -12.154 1.00 0.00 H new ATOM 0 HG1 THR A 23 15.061 -2.471 -10.292 1.00 0.00 H new ATOM 0 HG21 THR A 23 16.033 -3.034 -12.387 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.294 -2.271 -13.815 1.00 0.00 H new ATOM 0 HG23 THR A 23 16.064 -1.264 -12.567 1.00 0.00 H new ATOM 162 N LEU A 24 11.921 -1.922 -14.118 1.00 0.00 N ATOM 163 CA LEU A 24 11.370 -2.140 -15.444 1.00 0.00 C ATOM 164 C LEU A 24 11.215 -0.794 -16.156 1.00 0.00 C ATOM 165 O LEU A 24 11.849 -0.554 -17.182 1.00 0.00 O ATOM 166 CB LEU A 24 10.070 -2.943 -15.359 1.00 0.00 C ATOM 167 CG LEU A 24 9.157 -2.874 -16.585 1.00 0.00 C ATOM 168 CD1 LEU A 24 8.136 -4.014 -16.573 1.00 0.00 C ATOM 169 CD2 LEU A 24 8.485 -1.504 -16.691 1.00 0.00 C ATOM 0 H LEU A 24 11.556 -2.545 -13.397 1.00 0.00 H new ATOM 0 HA LEU A 24 12.052 -2.742 -16.045 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.323 -3.988 -15.177 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.508 -2.596 -14.492 1.00 0.00 H new ATOM 0 HG LEU A 24 9.771 -3.001 -17.476 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.500 -3.942 -17.455 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.659 -4.971 -16.580 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.522 -3.943 -15.675 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.842 -1.481 -17.571 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.886 -1.323 -15.799 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.248 -0.730 -16.779 1.00 0.00 H new ATOM 181 N MET A 25 10.369 0.049 -15.582 1.00 0.00 N ATOM 182 CA MET A 25 10.123 1.364 -16.148 1.00 0.00 C ATOM 183 C MET A 25 11.346 2.269 -15.983 1.00 0.00 C ATOM 184 O MET A 25 11.580 3.157 -16.802 1.00 0.00 O ATOM 185 CB MET A 25 8.918 2.002 -15.454 1.00 0.00 C ATOM 186 CG MET A 25 9.348 3.193 -14.595 1.00 0.00 C ATOM 187 SD MET A 25 7.929 3.893 -13.768 1.00 0.00 S ATOM 188 CE MET A 25 7.018 4.501 -15.177 1.00 0.00 C ATOM 0 H MET A 25 9.845 -0.153 -14.730 1.00 0.00 H new ATOM 0 HA MET A 25 9.920 1.249 -17.213 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.195 2.330 -16.201 1.00 0.00 H new ATOM 0 HB3 MET A 25 8.418 1.261 -14.830 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.087 2.874 -13.860 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.825 3.949 -15.219 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.508 5.427 -14.909 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.706 4.691 -16.001 1.00 0.00 H new ATOM 0 HE3 MET A 25 6.282 3.757 -15.483 1.00 0.00 H new ATOM 198 N GLY A 26 12.093 2.012 -14.920 1.00 0.00 N ATOM 199 CA GLY A 26 13.286 2.793 -14.637 1.00 0.00 C ATOM 200 C GLY A 26 14.345 2.588 -15.723 1.00 0.00 C ATOM 201 O GLY A 26 15.321 3.333 -15.791 1.00 0.00 O ATOM 0 H GLY A 26 11.896 1.274 -14.244 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.026 3.850 -14.572 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.693 2.504 -13.668 1.00 0.00 H new ATOM 205 N SER A 27 14.116 1.574 -16.544 1.00 0.00 N ATOM 206 CA SER A 27 15.038 1.261 -17.622 1.00 0.00 C ATOM 207 C SER A 27 15.084 2.417 -18.624 1.00 0.00 C ATOM 208 O SER A 27 15.928 2.436 -19.518 1.00 0.00 O ATOM 209 CB SER A 27 14.641 -0.037 -18.328 1.00 0.00 C ATOM 210 OG SER A 27 13.368 0.066 -18.959 1.00 0.00 O ATOM 0 H SER A 27 13.305 0.958 -16.484 1.00 0.00 H new ATOM 0 HA SER A 27 16.030 1.120 -17.193 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.395 -0.290 -19.073 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.622 -0.852 -17.604 1.00 0.00 H new ATOM 0 HG SER A 27 13.369 -0.460 -19.786 1.00 0.00 H new ATOM 216 N GLY A 28 14.164 3.353 -18.440 1.00 0.00 N ATOM 217 CA GLY A 28 14.088 4.510 -19.316 1.00 0.00 C ATOM 218 C GLY A 28 13.019 4.313 -20.392 1.00 0.00 C ATOM 219 O GLY A 28 12.962 5.069 -21.361 1.00 0.00 O ATOM 0 H GLY A 28 13.465 3.334 -17.697 1.00 0.00 H new ATOM 0 HA2 GLY A 28 13.859 5.400 -18.730 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.056 4.678 -19.787 1.00 0.00 H new ATOM 223 N VAL A 29 12.198 3.294 -20.187 1.00 0.00 N ATOM 224 CA VAL A 29 11.134 2.988 -21.127 1.00 0.00 C ATOM 225 C VAL A 29 10.021 4.029 -20.988 1.00 0.00 C ATOM 226 O VAL A 29 9.528 4.553 -21.986 1.00 0.00 O ATOM 227 CB VAL A 29 10.642 1.555 -20.914 1.00 0.00 C ATOM 228 CG1 VAL A 29 9.159 1.427 -21.266 1.00 0.00 C ATOM 229 CG2 VAL A 29 11.485 0.561 -21.715 1.00 0.00 C ATOM 0 H VAL A 29 12.248 2.669 -19.382 1.00 0.00 H new ATOM 0 HA VAL A 29 11.503 3.041 -22.151 1.00 0.00 H new ATOM 0 HB VAL A 29 10.757 1.315 -19.857 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.834 0.399 -21.106 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.576 2.095 -20.632 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.009 1.696 -22.311 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.114 -0.450 -21.546 1.00 0.00 H new ATOM 0 HG22 VAL A 29 11.418 0.799 -22.777 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.525 0.624 -21.394 1.00 0.00 H new ATOM 239 N LEU A 30 9.658 4.298 -19.742 1.00 0.00 N ATOM 240 CA LEU A 30 8.613 5.267 -19.460 1.00 0.00 C ATOM 241 C LEU A 30 9.252 6.603 -19.077 1.00 0.00 C ATOM 242 O LEU A 30 10.475 6.714 -19.013 1.00 0.00 O ATOM 243 CB LEU A 30 7.649 4.722 -18.404 1.00 0.00 C ATOM 244 CG LEU A 30 6.400 4.016 -18.937 1.00 0.00 C ATOM 245 CD1 LEU A 30 5.765 3.136 -17.859 1.00 0.00 C ATOM 246 CD2 LEU A 30 5.404 5.025 -19.514 1.00 0.00 C ATOM 0 H LEU A 30 10.069 3.862 -18.917 1.00 0.00 H new ATOM 0 HA LEU A 30 8.009 5.445 -20.349 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.194 4.023 -17.769 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.332 5.549 -17.769 1.00 0.00 H new ATOM 0 HG LEU A 30 6.701 3.358 -19.752 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.880 2.646 -18.264 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.482 2.381 -17.537 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.480 3.753 -17.007 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.526 4.497 -19.886 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.104 5.726 -18.735 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.873 5.571 -20.333 1.00 0.00 H new ATOM 258 N ALA A 31 8.395 7.584 -18.833 1.00 0.00 N ATOM 259 CA ALA A 31 8.861 8.908 -18.458 1.00 0.00 C ATOM 260 C ALA A 31 8.448 9.200 -17.014 1.00 0.00 C ATOM 261 O ALA A 31 7.291 9.003 -16.644 1.00 0.00 O ATOM 262 CB ALA A 31 8.309 9.941 -19.443 1.00 0.00 C ATOM 0 H ALA A 31 7.381 7.488 -18.888 1.00 0.00 H new ATOM 0 HA ALA A 31 9.949 8.960 -18.506 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.658 10.935 -19.162 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.655 9.706 -20.449 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.219 9.920 -19.420 1.00 0.00 H new ATOM 268 N ARG A 32 9.416 9.664 -16.238 1.00 0.00 N ATOM 269 CA ARG A 32 9.167 9.985 -14.843 1.00 0.00 C ATOM 270 C ARG A 32 9.584 11.427 -14.547 1.00 0.00 C ATOM 271 O ARG A 32 10.515 11.946 -15.161 1.00 0.00 O ATOM 272 CB ARG A 32 9.933 9.040 -13.915 1.00 0.00 C ATOM 273 CG ARG A 32 9.111 7.785 -13.611 1.00 0.00 C ATOM 274 CD ARG A 32 9.415 7.258 -12.207 1.00 0.00 C ATOM 275 NE ARG A 32 10.878 7.202 -11.993 1.00 0.00 N ATOM 276 CZ ARG A 32 11.652 6.171 -12.359 1.00 0.00 C ATOM 277 NH1 ARG A 32 11.107 5.104 -12.960 1.00 0.00 N ATOM 278 NH2 ARG A 32 12.971 6.207 -12.125 1.00 0.00 N ATOM 0 H ARG A 32 10.374 9.825 -16.549 1.00 0.00 H new ATOM 0 HA ARG A 32 8.099 9.867 -14.662 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.878 8.757 -14.378 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.175 9.555 -12.985 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.048 8.012 -13.696 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.332 7.014 -14.349 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.954 7.904 -11.460 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.982 6.266 -12.081 1.00 0.00 H new ATOM 0 HE ARG A 32 11.325 7.998 -11.538 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.103 5.077 -13.139 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.696 4.319 -13.239 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.386 7.019 -11.668 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.560 5.422 -12.404 1.00 0.00 H new ATOM 292 N CYS A 33 8.875 12.034 -13.607 1.00 0.00 N ATOM 293 CA CYS A 33 9.160 13.406 -13.223 1.00 0.00 C ATOM 294 C CYS A 33 10.182 13.384 -12.085 1.00 0.00 C ATOM 295 O CYS A 33 10.083 12.565 -11.172 1.00 0.00 O ATOM 296 CB CYS A 33 7.887 14.160 -12.831 1.00 0.00 C ATOM 297 SG CYS A 33 8.008 15.908 -13.359 1.00 0.00 S ATOM 0 H CYS A 33 8.103 11.601 -13.100 1.00 0.00 H new ATOM 0 HA CYS A 33 9.576 13.945 -14.074 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.019 13.691 -13.294 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.740 14.107 -11.752 1.00 0.00 H new ATOM 0 HG CYS A 33 6.852 16.485 -13.218 1.00 0.00 H new ATOM 302 N ARG A 34 11.142 14.293 -12.176 1.00 0.00 N ATOM 303 CA ARG A 34 12.182 14.388 -11.166 1.00 0.00 C ATOM 304 C ARG A 34 11.621 15.007 -9.884 1.00 0.00 C ATOM 305 O ARG A 34 12.327 15.115 -8.882 1.00 0.00 O ATOM 306 CB ARG A 34 13.356 15.234 -11.662 1.00 0.00 C ATOM 307 CG ARG A 34 13.926 14.671 -12.965 1.00 0.00 C ATOM 308 CD ARG A 34 13.812 13.146 -12.999 1.00 0.00 C ATOM 309 NE ARG A 34 14.513 12.560 -11.835 1.00 0.00 N ATOM 310 CZ ARG A 34 14.954 11.296 -11.781 1.00 0.00 C ATOM 311 NH1 ARG A 34 14.769 10.477 -12.826 1.00 0.00 N ATOM 312 NH2 ARG A 34 15.579 10.850 -10.683 1.00 0.00 N ATOM 0 H ARG A 34 11.221 14.971 -12.934 1.00 0.00 H new ATOM 0 HA ARG A 34 12.538 13.379 -10.961 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.028 16.262 -11.819 1.00 0.00 H new ATOM 0 HB3 ARG A 34 14.136 15.261 -10.901 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.393 15.098 -13.814 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.971 14.964 -13.065 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.763 12.851 -12.988 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.242 12.762 -13.924 1.00 0.00 H new ATOM 0 HE ARG A 34 14.670 13.156 -11.022 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.293 10.816 -13.662 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.105 9.515 -12.785 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.719 11.473 -9.888 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.914 9.888 -10.643 1.00 0.00 H new ATOM 326 N ILE A 35 10.357 15.397 -9.957 1.00 0.00 N ATOM 327 CA ILE A 35 9.693 16.002 -8.814 1.00 0.00 C ATOM 328 C ILE A 35 8.844 14.946 -8.105 1.00 0.00 C ATOM 329 O ILE A 35 8.486 15.112 -6.940 1.00 0.00 O ATOM 330 CB ILE A 35 8.902 17.238 -9.247 1.00 0.00 C ATOM 331 CG1 ILE A 35 9.575 17.932 -10.433 1.00 0.00 C ATOM 332 CG2 ILE A 35 8.689 18.192 -8.070 1.00 0.00 C ATOM 333 CD1 ILE A 35 8.723 19.096 -10.942 1.00 0.00 C ATOM 0 H ILE A 35 9.775 15.306 -10.790 1.00 0.00 H new ATOM 0 HA ILE A 35 10.427 16.359 -8.092 1.00 0.00 H new ATOM 0 HB ILE A 35 7.917 16.913 -9.581 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.557 18.299 -10.135 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.734 17.214 -11.237 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.124 19.062 -8.405 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.135 17.681 -7.283 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.656 18.514 -7.683 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.224 19.572 -11.785 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.750 18.722 -11.262 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.587 19.824 -10.142 1.00 0.00 H new ATOM 345 N HIS A 36 8.546 13.882 -8.837 1.00 0.00 N ATOM 346 CA HIS A 36 7.746 12.799 -8.292 1.00 0.00 C ATOM 347 C HIS A 36 8.041 11.507 -9.057 1.00 0.00 C ATOM 348 O HIS A 36 7.788 11.421 -10.258 1.00 0.00 O ATOM 349 CB HIS A 36 6.260 13.165 -8.298 1.00 0.00 C ATOM 350 CG HIS A 36 5.844 14.025 -9.468 1.00 0.00 C ATOM 351 ND1 HIS A 36 5.744 13.537 -10.759 1.00 0.00 N ATOM 352 CD2 HIS A 36 5.504 15.344 -9.527 1.00 0.00 C ATOM 353 CE1 HIS A 36 5.360 14.527 -11.552 1.00 0.00 C ATOM 354 NE2 HIS A 36 5.213 15.646 -10.787 1.00 0.00 N ATOM 0 H HIS A 36 8.845 13.747 -9.803 1.00 0.00 H new ATOM 0 HA HIS A 36 8.016 12.632 -7.249 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.671 12.248 -8.306 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.022 13.689 -7.372 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.476 16.027 -8.691 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.193 14.459 -12.617 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.927 16.564 -11.127 1.00 0.00 H new ATOM 362 N ASN A 37 8.573 10.535 -8.330 1.00 0.00 N ATOM 363 CA ASN A 37 8.906 9.252 -8.926 1.00 0.00 C ATOM 364 C ASN A 37 7.737 8.285 -8.727 1.00 0.00 C ATOM 365 O ASN A 37 7.733 7.188 -9.284 1.00 0.00 O ATOM 366 CB ASN A 37 10.143 8.642 -8.264 1.00 0.00 C ATOM 367 CG ASN A 37 10.701 7.490 -9.101 1.00 0.00 C ATOM 368 OD1 ASN A 37 11.961 7.663 -9.489 1.00 0.00 O flip ATOM 369 ND2 ASN A 37 10.031 6.508 -9.377 1.00 0.00 N flip ATOM 0 H ASN A 37 8.782 10.610 -7.334 1.00 0.00 H new ATOM 0 HA ASN A 37 9.107 9.413 -9.985 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.908 9.408 -8.138 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.886 8.281 -7.268 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.068 6.438 -9.047 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.434 5.757 -9.938 1.00 0.00 H new ATOM 376 N ASP A 38 6.774 8.725 -7.930 1.00 0.00 N ATOM 377 CA ASP A 38 5.603 7.912 -7.651 1.00 0.00 C ATOM 378 C ASP A 38 4.565 8.124 -8.754 1.00 0.00 C ATOM 379 O ASP A 38 3.432 7.658 -8.644 1.00 0.00 O ATOM 380 CB ASP A 38 4.964 8.306 -6.318 1.00 0.00 C ATOM 381 CG ASP A 38 4.837 9.812 -6.082 1.00 0.00 C ATOM 382 OD1 ASP A 38 4.519 10.578 -7.004 1.00 0.00 O ATOM 383 OD2 ASP A 38 5.082 10.198 -4.876 1.00 0.00 O ATOM 0 H ASP A 38 6.781 9.635 -7.469 1.00 0.00 H new ATOM 0 HA ASP A 38 5.919 6.870 -7.605 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.971 7.860 -6.262 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.553 7.875 -5.508 1.00 0.00 H new ATOM 389 N VAL A 39 4.988 8.829 -9.794 1.00 0.00 N ATOM 390 CA VAL A 39 4.109 9.109 -10.916 1.00 0.00 C ATOM 391 C VAL A 39 4.683 8.466 -12.180 1.00 0.00 C ATOM 392 O VAL A 39 5.900 8.399 -12.350 1.00 0.00 O ATOM 393 CB VAL A 39 3.901 10.618 -11.054 1.00 0.00 C ATOM 394 CG1 VAL A 39 3.941 11.045 -12.523 1.00 0.00 C ATOM 395 CG2 VAL A 39 2.594 11.054 -10.391 1.00 0.00 C ATOM 0 H VAL A 39 5.928 9.214 -9.882 1.00 0.00 H new ATOM 0 HA VAL A 39 3.124 8.673 -10.748 1.00 0.00 H new ATOM 0 HB VAL A 39 4.721 11.118 -10.538 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.791 12.122 -12.593 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.909 10.785 -12.951 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.152 10.532 -13.073 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.471 12.131 -10.504 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.757 10.541 -10.865 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.621 10.801 -9.331 1.00 0.00 H new ATOM 405 N ILE A 40 3.780 8.009 -13.036 1.00 0.00 N ATOM 406 CA ILE A 40 4.182 7.374 -14.279 1.00 0.00 C ATOM 407 C ILE A 40 3.564 8.131 -15.456 1.00 0.00 C ATOM 408 O ILE A 40 2.352 8.341 -15.497 1.00 0.00 O ATOM 409 CB ILE A 40 3.835 5.884 -14.257 1.00 0.00 C ATOM 410 CG1 ILE A 40 3.492 5.379 -15.660 1.00 0.00 C ATOM 411 CG2 ILE A 40 2.715 5.597 -13.255 1.00 0.00 C ATOM 412 CD1 ILE A 40 3.298 3.861 -15.664 1.00 0.00 C ATOM 0 H ILE A 40 2.772 8.066 -12.893 1.00 0.00 H new ATOM 0 HA ILE A 40 5.264 7.424 -14.399 1.00 0.00 H new ATOM 0 HB ILE A 40 4.715 5.334 -13.924 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.583 5.866 -16.014 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.289 5.649 -16.353 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.488 4.531 -13.259 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.034 5.896 -12.257 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.824 6.159 -13.534 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.055 3.528 -16.673 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.216 3.376 -15.333 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.484 3.596 -14.989 1.00 0.00 H new ATOM 424 N LEU A 41 4.424 8.521 -16.385 1.00 0.00 N ATOM 425 CA LEU A 41 3.978 9.251 -17.560 1.00 0.00 C ATOM 426 C LEU A 41 4.338 8.456 -18.816 1.00 0.00 C ATOM 427 O LEU A 41 5.436 7.910 -18.916 1.00 0.00 O ATOM 428 CB LEU A 41 4.538 10.674 -17.551 1.00 0.00 C ATOM 429 CG LEU A 41 3.860 11.656 -16.592 1.00 0.00 C ATOM 430 CD1 LEU A 41 4.619 11.739 -15.266 1.00 0.00 C ATOM 431 CD2 LEU A 41 3.692 13.030 -17.243 1.00 0.00 C ATOM 0 H LEU A 41 5.428 8.345 -16.348 1.00 0.00 H new ATOM 0 HA LEU A 41 2.894 9.360 -17.552 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.598 10.625 -17.300 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.468 11.077 -18.561 1.00 0.00 H new ATOM 0 HG LEU A 41 2.861 11.281 -16.369 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.117 12.443 -14.603 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.644 10.755 -14.799 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.638 12.078 -15.451 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.208 13.709 -16.541 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.671 13.426 -17.514 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.078 12.936 -18.138 1.00 0.00 H new ATOM 443 N ASP A 42 3.393 8.415 -19.744 1.00 0.00 N ATOM 444 CA ASP A 42 3.597 7.696 -20.989 1.00 0.00 C ATOM 445 C ASP A 42 4.650 8.424 -21.827 1.00 0.00 C ATOM 446 O ASP A 42 4.487 9.600 -22.150 1.00 0.00 O ATOM 447 CB ASP A 42 2.305 7.631 -21.806 1.00 0.00 C ATOM 448 CG ASP A 42 2.501 7.554 -23.322 1.00 0.00 C ATOM 449 OD1 ASP A 42 3.300 6.749 -23.822 1.00 0.00 O ATOM 450 OD2 ASP A 42 1.782 8.378 -24.007 1.00 0.00 O ATOM 0 H ASP A 42 2.484 8.869 -19.658 1.00 0.00 H new ATOM 0 HA ASP A 42 3.920 6.684 -20.745 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.733 6.761 -21.484 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.703 8.511 -21.577 1.00 0.00 H new ATOM 456 N SER A 43 5.706 7.695 -22.156 1.00 0.00 N ATOM 457 CA SER A 43 6.786 8.258 -22.949 1.00 0.00 C ATOM 458 C SER A 43 6.578 7.922 -24.428 1.00 0.00 C ATOM 459 O SER A 43 6.560 8.814 -25.274 1.00 0.00 O ATOM 460 CB SER A 43 8.145 7.742 -22.474 1.00 0.00 C ATOM 461 OG SER A 43 9.212 8.596 -22.880 1.00 0.00 O ATOM 0 H SER A 43 5.837 6.720 -21.888 1.00 0.00 H new ATOM 0 HA SER A 43 6.775 9.341 -22.823 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.141 7.658 -21.387 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.311 6.740 -22.871 1.00 0.00 H new ATOM 0 HG SER A 43 10.063 8.233 -22.556 1.00 0.00 H new ATOM 467 N GLY A 44 6.425 6.633 -24.693 1.00 0.00 N ATOM 468 CA GLY A 44 6.219 6.168 -26.054 1.00 0.00 C ATOM 469 C GLY A 44 7.522 5.638 -26.656 1.00 0.00 C ATOM 470 O GLY A 44 7.722 5.702 -27.868 1.00 0.00 O ATOM 0 H GLY A 44 6.440 5.896 -23.988 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.464 5.382 -26.063 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.837 6.984 -26.667 1.00 0.00 H new ATOM 474 N ASN A 45 8.375 5.126 -25.781 1.00 0.00 N ATOM 475 CA ASN A 45 9.653 4.584 -26.210 1.00 0.00 C ATOM 476 C ASN A 45 9.559 3.059 -26.280 1.00 0.00 C ATOM 477 O ASN A 45 8.533 2.480 -25.924 1.00 0.00 O ATOM 478 CB ASN A 45 10.764 4.944 -25.222 1.00 0.00 C ATOM 479 CG ASN A 45 12.127 4.978 -25.917 1.00 0.00 C ATOM 480 OD1 ASN A 45 12.956 4.098 -25.756 1.00 0.00 O ATOM 481 ND2 ASN A 45 12.311 6.040 -26.696 1.00 0.00 N ATOM 0 H ASN A 45 8.206 5.075 -24.776 1.00 0.00 H new ATOM 0 HA ASN A 45 9.887 5.008 -27.186 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.556 5.916 -24.774 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.784 4.216 -24.411 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.188 6.154 -27.203 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.575 6.740 -26.786 1.00 0.00 H new ATOM 488 N ASP A 46 10.642 2.451 -26.741 1.00 0.00 N ATOM 489 CA ASP A 46 10.694 1.004 -26.862 1.00 0.00 C ATOM 490 C ASP A 46 10.394 0.372 -25.501 1.00 0.00 C ATOM 491 O ASP A 46 11.220 0.428 -24.591 1.00 0.00 O ATOM 492 CB ASP A 46 12.083 0.538 -27.304 1.00 0.00 C ATOM 493 CG ASP A 46 12.555 1.095 -28.648 1.00 0.00 C ATOM 494 OD1 ASP A 46 11.937 2.010 -29.213 1.00 0.00 O ATOM 495 OD2 ASP A 46 13.619 0.542 -29.124 1.00 0.00 O ATOM 0 H ASP A 46 11.491 2.934 -27.035 1.00 0.00 H new ATOM 0 HA ASP A 46 9.958 0.701 -27.607 1.00 0.00 H new ATOM 0 HB2 ASP A 46 12.805 0.820 -26.537 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.084 -0.551 -27.358 1.00 0.00 H new ATOM 501 N ALA A 47 9.210 -0.215 -25.405 1.00 0.00 N ATOM 502 CA ALA A 47 8.791 -0.857 -24.171 1.00 0.00 C ATOM 503 C ALA A 47 9.504 -2.204 -24.035 1.00 0.00 C ATOM 504 O ALA A 47 9.458 -2.830 -22.977 1.00 0.00 O ATOM 505 CB ALA A 47 7.268 -1.000 -24.162 1.00 0.00 C ATOM 0 H ALA A 47 8.528 -0.259 -26.162 1.00 0.00 H new ATOM 0 HA ALA A 47 9.067 -0.249 -23.309 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.953 -1.482 -23.236 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.810 -0.014 -24.232 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.955 -1.607 -25.011 1.00 0.00 H new ATOM 511 N SER A 48 10.145 -2.611 -25.120 1.00 0.00 N ATOM 512 CA SER A 48 10.866 -3.872 -25.135 1.00 0.00 C ATOM 513 C SER A 48 11.834 -3.936 -23.952 1.00 0.00 C ATOM 514 O SER A 48 12.070 -5.007 -23.395 1.00 0.00 O ATOM 515 CB SER A 48 11.624 -4.058 -26.451 1.00 0.00 C ATOM 516 OG SER A 48 12.502 -5.180 -26.408 1.00 0.00 O ATOM 0 H SER A 48 10.180 -2.089 -25.996 1.00 0.00 H new ATOM 0 HA SER A 48 10.141 -4.681 -25.047 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.911 -4.187 -27.265 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.197 -3.157 -26.669 1.00 0.00 H new ATOM 0 HG SER A 48 12.966 -5.265 -27.267 1.00 0.00 H new ATOM 522 N SER A 49 12.367 -2.775 -23.602 1.00 0.00 N ATOM 523 CA SER A 49 13.304 -2.685 -22.494 1.00 0.00 C ATOM 524 C SER A 49 12.601 -3.047 -21.184 1.00 0.00 C ATOM 525 O SER A 49 13.109 -3.853 -20.406 1.00 0.00 O ATOM 526 CB SER A 49 13.913 -1.285 -22.400 1.00 0.00 C ATOM 527 OG SER A 49 14.145 -0.893 -21.050 1.00 0.00 O ATOM 0 H SER A 49 12.168 -1.888 -24.066 1.00 0.00 H new ATOM 0 HA SER A 49 14.114 -3.393 -22.672 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.853 -1.261 -22.951 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.246 -0.567 -22.876 1.00 0.00 H new ATOM 0 HG SER A 49 14.460 0.035 -21.028 1.00 0.00 H new ATOM 533 N ALA A 50 11.445 -2.434 -20.981 1.00 0.00 N ATOM 534 CA ALA A 50 10.667 -2.681 -19.779 1.00 0.00 C ATOM 535 C ALA A 50 10.120 -4.109 -19.816 1.00 0.00 C ATOM 536 O ALA A 50 9.912 -4.726 -18.772 1.00 0.00 O ATOM 537 CB ALA A 50 9.558 -1.634 -19.663 1.00 0.00 C ATOM 0 H ALA A 50 11.028 -1.766 -21.629 1.00 0.00 H new ATOM 0 HA ALA A 50 11.293 -2.591 -18.891 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.975 -1.820 -18.761 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.001 -0.639 -19.610 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.907 -1.695 -20.535 1.00 0.00 H new ATOM 543 N TYR A 51 9.901 -4.594 -21.029 1.00 0.00 N ATOM 544 CA TYR A 51 9.381 -5.938 -21.216 1.00 0.00 C ATOM 545 C TYR A 51 10.405 -6.987 -20.778 1.00 0.00 C ATOM 546 O TYR A 51 10.053 -7.968 -20.123 1.00 0.00 O ATOM 547 CB TYR A 51 9.127 -6.087 -22.717 1.00 0.00 C ATOM 548 CG TYR A 51 7.808 -5.471 -23.189 1.00 0.00 C ATOM 549 CD1 TYR A 51 7.339 -4.313 -22.604 1.00 0.00 C ATOM 550 CD2 TYR A 51 7.087 -6.075 -24.199 1.00 0.00 C ATOM 551 CE1 TYR A 51 6.098 -3.733 -23.048 1.00 0.00 C ATOM 552 CE2 TYR A 51 5.846 -5.495 -24.643 1.00 0.00 C ATOM 553 CZ TYR A 51 5.412 -4.353 -24.045 1.00 0.00 C ATOM 554 OH TYR A 51 4.240 -3.806 -24.464 1.00 0.00 O ATOM 0 H TYR A 51 10.074 -4.080 -21.893 1.00 0.00 H new ATOM 0 HA TYR A 51 8.479 -6.087 -20.623 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.949 -5.622 -23.262 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.133 -7.147 -22.973 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.903 -3.841 -21.813 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.453 -6.982 -24.656 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.721 -2.826 -22.599 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.273 -5.957 -25.433 1.00 0.00 H new ATOM 0 HH TYR A 51 3.861 -4.355 -25.182 1.00 0.00 H new ATOM 564 N LYS A 52 11.652 -6.746 -21.157 1.00 0.00 N ATOM 565 CA LYS A 52 12.729 -7.658 -20.811 1.00 0.00 C ATOM 566 C LYS A 52 13.081 -7.488 -19.332 1.00 0.00 C ATOM 567 O LYS A 52 13.162 -8.468 -18.593 1.00 0.00 O ATOM 568 CB LYS A 52 13.919 -7.463 -21.753 1.00 0.00 C ATOM 569 CG LYS A 52 14.743 -8.747 -21.868 1.00 0.00 C ATOM 570 CD LYS A 52 16.092 -8.475 -22.537 1.00 0.00 C ATOM 571 CE LYS A 52 16.661 -9.750 -23.162 1.00 0.00 C ATOM 572 NZ LYS A 52 17.509 -9.421 -24.330 1.00 0.00 N ATOM 0 H LYS A 52 11.940 -5.932 -21.700 1.00 0.00 H new ATOM 0 HA LYS A 52 12.411 -8.692 -20.946 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.562 -7.166 -22.739 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.550 -6.654 -21.385 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.904 -9.170 -20.876 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.190 -9.488 -22.445 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.973 -7.711 -23.305 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.794 -8.082 -21.802 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.247 -10.295 -22.422 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.847 -10.406 -23.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.887 -10.298 -24.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.940 -8.921 -25.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.297 -8.813 -24.027 1.00 0.00 H new ATOM 586 N LEU A 53 13.279 -6.237 -18.944 1.00 0.00 N ATOM 587 CA LEU A 53 13.621 -5.926 -17.566 1.00 0.00 C ATOM 588 C LEU A 53 12.428 -6.250 -16.665 1.00 0.00 C ATOM 589 O LEU A 53 12.602 -6.561 -15.487 1.00 0.00 O ATOM 590 CB LEU A 53 14.106 -4.480 -17.448 1.00 0.00 C ATOM 591 CG LEU A 53 14.885 -4.136 -16.177 1.00 0.00 C ATOM 592 CD1 LEU A 53 13.948 -4.019 -14.974 1.00 0.00 C ATOM 593 CD2 LEU A 53 16.009 -5.145 -15.933 1.00 0.00 C ATOM 0 H LEU A 53 13.209 -5.427 -19.560 1.00 0.00 H new ATOM 0 HA LEU A 53 14.453 -6.545 -17.230 1.00 0.00 H new ATOM 0 HB2 LEU A 53 14.737 -4.258 -18.309 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.240 -3.821 -17.509 1.00 0.00 H new ATOM 0 HG LEU A 53 15.352 -3.161 -16.316 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.527 -3.774 -14.084 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.216 -3.233 -15.158 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.432 -4.967 -14.821 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.547 -4.877 -15.024 1.00 0.00 H new ATOM 0 HD22 LEU A 53 15.585 -6.143 -15.823 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.697 -5.134 -16.778 1.00 0.00 H new ATOM 605 N GLY A 54 11.243 -6.165 -17.251 1.00 0.00 N ATOM 606 CA GLY A 54 10.022 -6.445 -16.515 1.00 0.00 C ATOM 607 C GLY A 54 9.882 -7.942 -16.234 1.00 0.00 C ATOM 608 O GLY A 54 9.730 -8.350 -15.084 1.00 0.00 O ATOM 0 H GLY A 54 11.102 -5.906 -18.228 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.026 -5.894 -15.575 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.161 -6.096 -17.086 1.00 0.00 H new ATOM 612 N THR A 55 9.939 -8.721 -17.305 1.00 0.00 N ATOM 613 CA THR A 55 9.821 -10.164 -17.187 1.00 0.00 C ATOM 614 C THR A 55 10.911 -10.715 -16.265 1.00 0.00 C ATOM 615 O THR A 55 10.662 -11.633 -15.484 1.00 0.00 O ATOM 616 CB THR A 55 9.861 -10.758 -18.597 1.00 0.00 C ATOM 617 OG1 THR A 55 9.697 -12.158 -18.389 1.00 0.00 O ATOM 618 CG2 THR A 55 11.242 -10.637 -19.245 1.00 0.00 C ATOM 0 H THR A 55 10.065 -8.380 -18.258 1.00 0.00 H new ATOM 0 HA THR A 55 8.875 -10.447 -16.725 1.00 0.00 H new ATOM 0 HB THR A 55 9.122 -10.257 -19.222 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.709 -12.621 -19.253 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.215 -11.074 -20.243 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.520 -9.585 -19.316 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.977 -11.166 -18.638 1.00 0.00 H new ATOM 626 N TYR A 56 12.094 -10.132 -16.386 1.00 0.00 N ATOM 627 CA TYR A 56 13.222 -10.553 -15.573 1.00 0.00 C ATOM 628 C TYR A 56 12.997 -10.205 -14.100 1.00 0.00 C ATOM 629 O TYR A 56 13.271 -11.016 -13.217 1.00 0.00 O ATOM 630 CB TYR A 56 14.431 -9.771 -16.090 1.00 0.00 C ATOM 631 CG TYR A 56 15.202 -10.482 -17.204 1.00 0.00 C ATOM 632 CD1 TYR A 56 15.445 -11.838 -17.117 1.00 0.00 C ATOM 633 CD2 TYR A 56 15.655 -9.768 -18.294 1.00 0.00 C ATOM 634 CE1 TYR A 56 16.171 -12.508 -18.165 1.00 0.00 C ATOM 635 CE2 TYR A 56 16.381 -10.438 -19.342 1.00 0.00 C ATOM 636 CZ TYR A 56 16.603 -11.775 -19.226 1.00 0.00 C ATOM 637 OH TYR A 56 17.289 -12.407 -20.215 1.00 0.00 O ATOM 0 H TYR A 56 12.296 -9.371 -17.035 1.00 0.00 H new ATOM 0 HA TYR A 56 13.362 -11.632 -15.641 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.094 -8.802 -16.457 1.00 0.00 H new ATOM 0 HB3 TYR A 56 15.109 -9.579 -15.258 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.091 -12.396 -16.263 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.465 -8.707 -18.361 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.368 -13.568 -18.110 1.00 0.00 H new ATOM 0 HE2 TYR A 56 16.741 -9.891 -20.201 1.00 0.00 H new ATOM 0 HH TYR A 56 16.988 -13.337 -20.279 1.00 0.00 H new ATOM 647 N LEU A 57 12.500 -8.996 -13.880 1.00 0.00 N ATOM 648 CA LEU A 57 12.235 -8.530 -12.530 1.00 0.00 C ATOM 649 C LEU A 57 10.994 -9.240 -11.984 1.00 0.00 C ATOM 650 O LEU A 57 10.833 -9.373 -10.772 1.00 0.00 O ATOM 651 CB LEU A 57 12.133 -7.004 -12.500 1.00 0.00 C ATOM 652 CG LEU A 57 12.341 -6.345 -11.135 1.00 0.00 C ATOM 653 CD1 LEU A 57 12.277 -4.820 -11.247 1.00 0.00 C ATOM 654 CD2 LEU A 57 11.346 -6.886 -10.107 1.00 0.00 C ATOM 0 H LEU A 57 12.274 -8.325 -14.615 1.00 0.00 H new ATOM 0 HA LEU A 57 13.064 -8.784 -11.870 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.868 -6.597 -13.194 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.150 -6.718 -12.873 1.00 0.00 H new ATOM 0 HG LEU A 57 13.340 -6.601 -10.781 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.428 -4.376 -10.263 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.056 -4.472 -11.925 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.301 -4.524 -11.633 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.516 -6.401 -9.146 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.329 -6.681 -10.442 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.483 -7.962 -9.999 1.00 0.00 H new ATOM 666 N TYR A 58 10.149 -9.678 -12.906 1.00 0.00 N ATOM 667 CA TYR A 58 8.927 -10.371 -12.533 1.00 0.00 C ATOM 668 C TYR A 58 9.184 -11.866 -12.335 1.00 0.00 C ATOM 669 O TYR A 58 8.481 -12.524 -11.570 1.00 0.00 O ATOM 670 CB TYR A 58 7.961 -10.182 -13.703 1.00 0.00 C ATOM 671 CG TYR A 58 7.133 -8.898 -13.626 1.00 0.00 C ATOM 672 CD1 TYR A 58 6.499 -8.556 -12.448 1.00 0.00 C ATOM 673 CD2 TYR A 58 7.019 -8.081 -14.732 1.00 0.00 C ATOM 674 CE1 TYR A 58 5.719 -7.347 -12.375 1.00 0.00 C ATOM 675 CE2 TYR A 58 6.240 -6.873 -14.659 1.00 0.00 C ATOM 676 CZ TYR A 58 5.628 -6.565 -13.484 1.00 0.00 C ATOM 677 OH TYR A 58 4.892 -5.424 -13.414 1.00 0.00 O ATOM 0 H TYR A 58 10.286 -9.566 -13.911 1.00 0.00 H new ATOM 0 HA TYR A 58 8.532 -9.976 -11.597 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.529 -10.180 -14.633 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.285 -11.036 -13.744 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.588 -9.195 -11.582 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.515 -8.348 -15.653 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.218 -7.068 -11.460 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.144 -6.226 -15.518 1.00 0.00 H new ATOM 0 HH TYR A 58 4.917 -4.965 -14.280 1.00 0.00 H new ATOM 687 N GLN A 59 10.193 -12.359 -13.038 1.00 0.00 N ATOM 688 CA GLN A 59 10.551 -13.764 -12.949 1.00 0.00 C ATOM 689 C GLN A 59 12.067 -13.935 -13.070 1.00 0.00 C ATOM 690 O GLN A 59 12.616 -13.880 -14.169 1.00 0.00 O ATOM 691 CB GLN A 59 9.821 -14.584 -14.015 1.00 0.00 C ATOM 692 CG GLN A 59 8.315 -14.611 -13.749 1.00 0.00 C ATOM 693 CD GLN A 59 7.988 -15.478 -12.531 1.00 0.00 C ATOM 694 OE1 GLN A 59 8.777 -16.297 -12.090 1.00 0.00 O ATOM 695 NE2 GLN A 59 6.783 -15.252 -12.015 1.00 0.00 N ATOM 0 H GLN A 59 10.774 -11.810 -13.672 1.00 0.00 H new ATOM 0 HA GLN A 59 10.240 -14.137 -11.973 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.012 -14.159 -15.000 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.210 -15.602 -14.026 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.953 -13.596 -13.585 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.794 -14.997 -14.625 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.172 -14.551 -12.434 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.470 -15.780 -11.200 1.00 0.00 H new ATOM 856 N LEU A 70 4.193 -14.091 -19.495 1.00 0.00 N ATOM 857 CA LEU A 70 4.796 -12.770 -19.539 1.00 0.00 C ATOM 858 C LEU A 70 3.710 -11.728 -19.813 1.00 0.00 C ATOM 859 O LEU A 70 3.896 -10.545 -19.533 1.00 0.00 O ATOM 860 CB LEU A 70 5.947 -12.740 -20.547 1.00 0.00 C ATOM 861 CG LEU A 70 6.240 -11.382 -21.189 1.00 0.00 C ATOM 862 CD1 LEU A 70 6.639 -10.351 -20.132 1.00 0.00 C ATOM 863 CD2 LEU A 70 7.295 -11.513 -22.290 1.00 0.00 C ATOM 0 HA LEU A 70 5.241 -12.521 -18.576 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.851 -13.086 -20.046 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.728 -13.455 -21.340 1.00 0.00 H new ATOM 0 HG LEU A 70 5.326 -11.022 -21.660 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.842 -9.395 -20.615 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.826 -10.231 -19.416 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.534 -10.692 -19.611 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.485 -10.534 -22.730 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.219 -11.905 -21.864 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.934 -12.193 -23.061 1.00 0.00 H new ATOM 875 N THR A 71 2.601 -12.204 -20.359 1.00 0.00 N ATOM 876 CA THR A 71 1.486 -11.328 -20.674 1.00 0.00 C ATOM 877 C THR A 71 1.103 -10.491 -19.452 1.00 0.00 C ATOM 878 O THR A 71 0.652 -9.355 -19.589 1.00 0.00 O ATOM 879 CB THR A 71 0.339 -12.193 -21.201 1.00 0.00 C ATOM 880 OG1 THR A 71 0.815 -12.675 -22.454 1.00 0.00 O ATOM 881 CG2 THR A 71 -0.898 -11.369 -21.563 1.00 0.00 C ATOM 0 H THR A 71 2.451 -13.186 -20.591 1.00 0.00 H new ATOM 0 HA THR A 71 1.754 -10.610 -21.449 1.00 0.00 H new ATOM 0 HB THR A 71 0.072 -12.937 -20.451 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.133 -13.247 -22.865 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.681 -12.031 -21.931 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.255 -10.841 -20.679 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.640 -10.646 -22.337 1.00 0.00 H new ATOM 889 N GLU A 72 1.298 -11.085 -18.283 1.00 0.00 N ATOM 890 CA GLU A 72 0.979 -10.408 -17.038 1.00 0.00 C ATOM 891 C GLU A 72 1.808 -9.130 -16.901 1.00 0.00 C ATOM 892 O GLU A 72 1.265 -8.059 -16.633 1.00 0.00 O ATOM 893 CB GLU A 72 1.197 -11.334 -15.839 1.00 0.00 C ATOM 894 CG GLU A 72 0.241 -10.986 -14.697 1.00 0.00 C ATOM 895 CD GLU A 72 -1.139 -11.604 -14.930 1.00 0.00 C ATOM 896 OE1 GLU A 72 -1.539 -12.523 -14.200 1.00 0.00 O ATOM 897 OE2 GLU A 72 -1.805 -11.095 -15.910 1.00 0.00 O ATOM 0 H GLU A 72 1.673 -12.027 -18.173 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.076 -10.133 -17.057 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.045 -12.370 -16.143 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.227 -11.251 -15.494 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.650 -11.346 -13.753 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.149 -9.903 -14.612 1.00 0.00 H new ATOM 905 N ALA A 73 3.111 -9.284 -17.091 1.00 0.00 N ATOM 906 CA ALA A 73 4.020 -8.155 -16.992 1.00 0.00 C ATOM 907 C ALA A 73 3.696 -7.146 -18.096 1.00 0.00 C ATOM 908 O ALA A 73 3.517 -5.960 -17.825 1.00 0.00 O ATOM 909 CB ALA A 73 5.464 -8.655 -17.064 1.00 0.00 C ATOM 0 H ALA A 73 3.558 -10.174 -17.313 1.00 0.00 H new ATOM 0 HA ALA A 73 3.898 -7.647 -16.035 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.146 -7.808 -16.990 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.651 -9.345 -16.242 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.624 -9.168 -18.012 1.00 0.00 H new ATOM 915 N ARG A 74 3.631 -7.656 -19.318 1.00 0.00 N ATOM 916 CA ARG A 74 3.332 -6.814 -20.464 1.00 0.00 C ATOM 917 C ARG A 74 1.962 -6.153 -20.294 1.00 0.00 C ATOM 918 O ARG A 74 1.730 -5.059 -20.806 1.00 0.00 O ATOM 919 CB ARG A 74 3.341 -7.626 -21.761 1.00 0.00 C ATOM 920 CG ARG A 74 4.768 -7.822 -22.275 1.00 0.00 C ATOM 921 CD ARG A 74 4.766 -8.421 -23.683 1.00 0.00 C ATOM 922 NE ARG A 74 3.818 -9.555 -23.749 1.00 0.00 N ATOM 923 CZ ARG A 74 3.253 -9.997 -24.881 1.00 0.00 C ATOM 924 NH1 ARG A 74 3.538 -9.404 -26.048 1.00 0.00 N ATOM 925 NH2 ARG A 74 2.403 -11.033 -24.846 1.00 0.00 N ATOM 0 H ARG A 74 3.780 -8.641 -19.539 1.00 0.00 H new ATOM 0 HA ARG A 74 4.105 -6.047 -20.523 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.876 -8.597 -21.590 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.745 -7.116 -22.518 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.290 -6.865 -22.284 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.316 -8.478 -21.598 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.486 -7.659 -24.411 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.769 -8.759 -23.945 1.00 0.00 H new ATOM 0 HE ARG A 74 3.580 -10.030 -22.878 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.185 -8.616 -26.075 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.108 -9.741 -26.909 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.186 -11.485 -23.958 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.973 -11.369 -25.708 1.00 0.00 H new ATOM 939 N ASP A 75 1.092 -6.844 -19.573 1.00 0.00 N ATOM 940 CA ASP A 75 -0.248 -6.338 -19.330 1.00 0.00 C ATOM 941 C ASP A 75 -0.187 -5.236 -18.269 1.00 0.00 C ATOM 942 O ASP A 75 -0.968 -4.287 -18.310 1.00 0.00 O ATOM 943 CB ASP A 75 -1.169 -7.443 -18.811 1.00 0.00 C ATOM 944 CG ASP A 75 -2.582 -6.988 -18.440 1.00 0.00 C ATOM 945 OD1 ASP A 75 -3.389 -6.635 -19.314 1.00 0.00 O ATOM 946 OD2 ASP A 75 -2.846 -7.003 -17.178 1.00 0.00 O ATOM 0 H ASP A 75 1.289 -7.751 -19.149 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.640 -5.956 -20.272 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.242 -8.221 -19.571 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.708 -7.897 -17.934 1.00 0.00 H new ATOM 952 N ALA A 76 0.748 -5.400 -17.345 1.00 0.00 N ATOM 953 CA ALA A 76 0.921 -4.432 -16.275 1.00 0.00 C ATOM 954 C ALA A 76 1.393 -3.103 -16.868 1.00 0.00 C ATOM 955 O ALA A 76 0.815 -2.054 -16.587 1.00 0.00 O ATOM 956 CB ALA A 76 1.898 -4.987 -15.237 1.00 0.00 C ATOM 0 H ALA A 76 1.394 -6.189 -17.315 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.025 -4.249 -15.766 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.028 -4.261 -14.435 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.503 -5.916 -14.826 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.861 -5.180 -15.710 1.00 0.00 H new ATOM 962 N ILE A 77 2.438 -3.191 -17.678 1.00 0.00 N ATOM 963 CA ILE A 77 2.995 -2.008 -18.312 1.00 0.00 C ATOM 964 C ILE A 77 2.027 -1.509 -19.387 1.00 0.00 C ATOM 965 O ILE A 77 1.820 -0.305 -19.531 1.00 0.00 O ATOM 966 CB ILE A 77 4.403 -2.294 -18.837 1.00 0.00 C ATOM 967 CG1 ILE A 77 4.372 -3.355 -19.940 1.00 0.00 C ATOM 968 CG2 ILE A 77 5.346 -2.681 -17.696 1.00 0.00 C ATOM 969 CD1 ILE A 77 5.747 -4.004 -20.114 1.00 0.00 C ATOM 0 H ILE A 77 2.914 -4.063 -17.910 1.00 0.00 H new ATOM 0 HA ILE A 77 3.109 -1.203 -17.586 1.00 0.00 H new ATOM 0 HB ILE A 77 4.794 -1.379 -19.281 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.634 -4.118 -19.695 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.059 -2.899 -20.879 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.340 -2.879 -18.097 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.401 -1.864 -16.976 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.970 -3.576 -17.201 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.698 -4.754 -20.903 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.478 -3.241 -20.383 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.046 -4.480 -19.180 1.00 0.00 H new ATOM 981 N LYS A 78 1.461 -2.459 -20.116 1.00 0.00 N ATOM 982 CA LYS A 78 0.520 -2.131 -21.174 1.00 0.00 C ATOM 983 C LYS A 78 -0.628 -1.305 -20.591 1.00 0.00 C ATOM 984 O LYS A 78 -0.984 -0.260 -21.134 1.00 0.00 O ATOM 985 CB LYS A 78 0.061 -3.400 -21.895 1.00 0.00 C ATOM 986 CG LYS A 78 -1.082 -3.095 -22.865 1.00 0.00 C ATOM 987 CD LYS A 78 -1.524 -4.359 -23.606 1.00 0.00 C ATOM 988 CE LYS A 78 -2.964 -4.226 -24.107 1.00 0.00 C ATOM 989 NZ LYS A 78 -3.228 -5.201 -25.189 1.00 0.00 N ATOM 0 H LYS A 78 1.636 -3.457 -19.995 1.00 0.00 H new ATOM 0 HA LYS A 78 1.001 -1.516 -21.935 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.898 -3.837 -22.439 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.265 -4.140 -21.164 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.926 -2.676 -22.318 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.762 -2.341 -23.584 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.858 -4.543 -24.449 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.444 -5.220 -22.943 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.659 -4.391 -23.283 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.136 -3.213 -24.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.209 -5.098 -25.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.577 -5.025 -25.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.083 -6.166 -24.830 1.00 0.00 H new ATOM 1003 N ASP A 79 -1.177 -1.805 -19.493 1.00 0.00 N ATOM 1004 CA ASP A 79 -2.278 -1.126 -18.831 1.00 0.00 C ATOM 1005 C ASP A 79 -1.771 0.182 -18.219 1.00 0.00 C ATOM 1006 O ASP A 79 -2.501 1.170 -18.166 1.00 0.00 O ATOM 1007 CB ASP A 79 -2.855 -1.983 -17.703 1.00 0.00 C ATOM 1008 CG ASP A 79 -3.639 -3.214 -18.162 1.00 0.00 C ATOM 1009 OD1 ASP A 79 -4.340 -3.180 -19.184 1.00 0.00 O ATOM 1010 OD2 ASP A 79 -3.507 -4.255 -17.412 1.00 0.00 O ATOM 0 H ASP A 79 -0.880 -2.672 -19.046 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.053 -0.938 -19.574 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.037 -2.310 -17.061 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.510 -1.361 -17.093 1.00 0.00 H new ATOM 1016 N ALA A 80 -0.524 0.145 -17.773 1.00 0.00 N ATOM 1017 CA ALA A 80 0.089 1.314 -17.167 1.00 0.00 C ATOM 1018 C ALA A 80 0.126 2.453 -18.189 1.00 0.00 C ATOM 1019 O ALA A 80 -0.228 3.587 -17.872 1.00 0.00 O ATOM 1020 CB ALA A 80 1.482 0.951 -16.649 1.00 0.00 C ATOM 0 H ALA A 80 0.079 -0.677 -17.819 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.497 1.655 -16.314 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.941 1.829 -16.194 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.398 0.159 -15.905 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.100 0.606 -17.478 1.00 0.00 H new ATOM 1026 N TYR A 81 0.557 2.110 -19.394 1.00 0.00 N ATOM 1027 CA TYR A 81 0.644 3.089 -20.464 1.00 0.00 C ATOM 1028 C TYR A 81 -0.748 3.510 -20.937 1.00 0.00 C ATOM 1029 O TYR A 81 -0.980 4.682 -21.231 1.00 0.00 O ATOM 1030 CB TYR A 81 1.372 2.391 -21.615 1.00 0.00 C ATOM 1031 CG TYR A 81 2.863 2.724 -21.702 1.00 0.00 C ATOM 1032 CD1 TYR A 81 3.278 3.861 -22.364 1.00 0.00 C ATOM 1033 CD2 TYR A 81 3.792 1.887 -21.118 1.00 0.00 C ATOM 1034 CE1 TYR A 81 4.682 4.175 -22.445 1.00 0.00 C ATOM 1035 CE2 TYR A 81 5.195 2.200 -21.199 1.00 0.00 C ATOM 1036 CZ TYR A 81 5.571 3.329 -21.859 1.00 0.00 C ATOM 1037 OH TYR A 81 6.896 3.624 -21.936 1.00 0.00 O ATOM 0 H TYR A 81 0.850 1.168 -19.653 1.00 0.00 H new ATOM 0 HA TYR A 81 1.162 3.985 -20.123 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.257 1.313 -21.503 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.893 2.667 -22.555 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.551 4.516 -22.821 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.466 0.997 -20.600 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.021 5.062 -22.959 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.932 1.553 -20.746 1.00 0.00 H new ATOM 0 HH TYR A 81 7.008 4.556 -22.217 1.00 0.00 H new ATOM 1047 N GLU A 82 -1.639 2.531 -20.997 1.00 0.00 N ATOM 1048 CA GLU A 82 -3.003 2.785 -21.429 1.00 0.00 C ATOM 1049 C GLU A 82 -3.725 3.673 -20.414 1.00 0.00 C ATOM 1050 O GLU A 82 -4.607 4.449 -20.779 1.00 0.00 O ATOM 1051 CB GLU A 82 -3.762 1.475 -21.649 1.00 0.00 C ATOM 1052 CG GLU A 82 -3.651 1.014 -23.104 1.00 0.00 C ATOM 1053 CD GLU A 82 -4.408 -0.297 -23.323 1.00 0.00 C ATOM 1054 OE1 GLU A 82 -4.189 -0.978 -24.336 1.00 0.00 O ATOM 1055 OE2 GLU A 82 -5.251 -0.602 -22.395 1.00 0.00 O ATOM 0 H GLU A 82 -1.443 1.560 -20.754 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.969 3.311 -22.383 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.364 0.705 -20.988 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.811 1.610 -21.386 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.051 1.784 -23.764 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.602 0.881 -23.368 1.00 0.00 H new ATOM 1063 N SER A 83 -3.323 3.531 -19.160 1.00 0.00 N ATOM 1064 CA SER A 83 -3.921 4.311 -18.089 1.00 0.00 C ATOM 1065 C SER A 83 -3.295 5.706 -18.046 1.00 0.00 C ATOM 1066 O SER A 83 -4.006 6.707 -17.971 1.00 0.00 O ATOM 1067 CB SER A 83 -3.753 3.612 -16.739 1.00 0.00 C ATOM 1068 OG SER A 83 -4.747 2.613 -16.527 1.00 0.00 O ATOM 0 H SER A 83 -2.590 2.887 -18.861 1.00 0.00 H new ATOM 0 HA SER A 83 -4.988 4.405 -18.289 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.764 3.156 -16.688 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.805 4.351 -15.939 1.00 0.00 H new ATOM 0 HG SER A 83 -4.461 1.773 -16.943 1.00 0.00 H new ATOM 1074 N TYR A 84 -1.971 5.728 -18.097 1.00 0.00 N ATOM 1075 CA TYR A 84 -1.242 6.984 -18.065 1.00 0.00 C ATOM 1076 C TYR A 84 -0.945 7.482 -19.481 1.00 0.00 C ATOM 1077 O TYR A 84 -0.090 8.345 -19.672 1.00 0.00 O ATOM 1078 CB TYR A 84 0.080 6.686 -17.354 1.00 0.00 C ATOM 1079 CG TYR A 84 -0.084 6.188 -15.917 1.00 0.00 C ATOM 1080 CD1 TYR A 84 -0.785 6.946 -15.000 1.00 0.00 C ATOM 1081 CD2 TYR A 84 0.467 4.982 -15.537 1.00 0.00 C ATOM 1082 CE1 TYR A 84 -0.940 6.478 -13.647 1.00 0.00 C ATOM 1083 CE2 TYR A 84 0.312 4.514 -14.184 1.00 0.00 C ATOM 1084 CZ TYR A 84 -0.384 5.285 -13.306 1.00 0.00 C ATOM 1085 OH TYR A 84 -0.530 4.843 -12.028 1.00 0.00 O ATOM 0 H TYR A 84 -1.385 4.896 -18.160 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.825 7.753 -17.559 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.628 5.938 -17.927 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.689 7.590 -17.347 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.217 7.890 -15.298 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.015 4.389 -16.254 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.485 7.061 -12.920 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.739 3.572 -13.873 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.082 3.977 -11.928 1.00 0.00 H new ATOM 1095 N CYS A 85 -1.667 6.916 -20.436 1.00 0.00 N ATOM 1096 CA CYS A 85 -1.492 7.292 -21.829 1.00 0.00 C ATOM 1097 C CYS A 85 -1.976 8.733 -22.002 1.00 0.00 C ATOM 1098 O CYS A 85 -3.071 9.080 -21.563 1.00 0.00 O ATOM 1099 CB CYS A 85 -2.218 6.329 -22.770 1.00 0.00 C ATOM 1100 SG CYS A 85 -2.974 7.257 -24.154 1.00 0.00 S ATOM 0 H CYS A 85 -2.375 6.200 -20.273 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.437 7.230 -22.095 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.518 5.589 -23.157 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.988 5.784 -22.223 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.586 6.430 -24.948 1.00 0.00 H new ATOM 1106 N GLY A 86 -1.136 9.532 -22.643 1.00 0.00 N ATOM 1107 CA GLY A 86 -1.465 10.928 -22.880 1.00 0.00 C ATOM 1108 C GLY A 86 -0.625 11.847 -21.992 1.00 0.00 C ATOM 1109 O GLY A 86 -0.295 12.965 -22.386 1.00 0.00 O ATOM 0 H GLY A 86 -0.228 9.240 -23.006 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.294 11.173 -23.928 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.524 11.094 -22.683 1.00 0.00 H new ATOM 1113 N ILE A 87 -0.304 11.343 -20.809 1.00 0.00 N ATOM 1114 CA ILE A 87 0.491 12.105 -19.862 1.00 0.00 C ATOM 1115 C ILE A 87 1.961 11.704 -19.996 1.00 0.00 C ATOM 1116 O ILE A 87 2.375 10.667 -19.479 1.00 0.00 O ATOM 1117 CB ILE A 87 -0.064 11.943 -18.445 1.00 0.00 C ATOM 1118 CG1 ILE A 87 -0.232 10.465 -18.087 1.00 0.00 C ATOM 1119 CG2 ILE A 87 -1.367 12.726 -18.273 1.00 0.00 C ATOM 1120 CD1 ILE A 87 -0.508 10.290 -16.593 1.00 0.00 C ATOM 0 H ILE A 87 -0.580 10.416 -20.485 1.00 0.00 H new ATOM 0 HA ILE A 87 0.430 13.170 -20.084 1.00 0.00 H new ATOM 0 HB ILE A 87 0.659 12.363 -17.746 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.052 10.038 -18.664 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.669 9.916 -18.361 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.740 12.594 -17.257 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.182 13.784 -18.457 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.109 12.359 -18.982 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.623 9.230 -16.366 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.325 10.696 -16.019 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.423 10.819 -16.328 1.00 0.00 H new ATOM 1132 N ASP A 88 2.710 12.545 -20.694 1.00 0.00 N ATOM 1133 CA ASP A 88 4.125 12.291 -20.903 1.00 0.00 C ATOM 1134 C ASP A 88 4.945 13.311 -20.111 1.00 0.00 C ATOM 1135 O ASP A 88 6.115 13.076 -19.813 1.00 0.00 O ATOM 1136 CB ASP A 88 4.497 12.430 -22.380 1.00 0.00 C ATOM 1137 CG ASP A 88 4.174 13.789 -23.003 1.00 0.00 C ATOM 1138 OD1 ASP A 88 3.800 14.741 -22.302 1.00 0.00 O ATOM 1139 OD2 ASP A 88 4.320 13.851 -24.284 1.00 0.00 O ATOM 0 H ASP A 88 2.363 13.403 -21.122 1.00 0.00 H new ATOM 0 HA ASP A 88 4.337 11.275 -20.572 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.565 12.242 -22.489 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.977 11.656 -22.944 1.00 0.00 H new ATOM 1145 N ASP A 89 4.298 14.423 -19.792 1.00 0.00 N ATOM 1146 CA ASP A 89 4.953 15.480 -19.040 1.00 0.00 C ATOM 1147 C ASP A 89 3.892 16.353 -18.367 1.00 0.00 C ATOM 1148 O ASP A 89 2.787 16.504 -18.885 1.00 0.00 O ATOM 1149 CB ASP A 89 5.787 16.375 -19.960 1.00 0.00 C ATOM 1150 CG ASP A 89 6.817 17.252 -19.247 1.00 0.00 C ATOM 1151 OD1 ASP A 89 7.978 16.855 -19.065 1.00 0.00 O ATOM 1152 OD2 ASP A 89 6.382 18.405 -18.866 1.00 0.00 O ATOM 0 H ASP A 89 3.327 14.615 -20.041 1.00 0.00 H new ATOM 0 HA ASP A 89 5.605 15.014 -18.301 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.306 15.745 -20.682 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.113 17.019 -20.525 1.00 0.00 H new