USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=17 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 43 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 45 ASN : amide:sc= 0.215 K(o=0.22,f=-0.7) USER MOD Set 2.1: A 27 SER OG : rot -175:sc= 0.103 USER MOD Set 2.2: A 49 SER OG : rot -104:sc= 0.106 USER MOD Single : A 16 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.35) USER MOD Single : A 18 GLN : amide:sc= -0.325 X(o=-0.32,f=-0.68) USER MOD Single : A 21 MET CE :methyl 147:sc= -3.25! (180deg=-5.87!) USER MOD Single : A 22 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.13) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0522 USER MOD Single : A 25 MET CE :methyl -113:sc= -5.34! (180deg=-12.6!) USER MOD Single : A 33 CYS SG : rot 171:sc= -2.47! USER MOD Single : A 36 HIS : no HD1:sc= -9.67! C(o=-9.7!,f=-11!) USER MOD Single : A 37 ASN : amide:sc= -1.65! K(o=-1.7!,f=-0.075) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -2.33! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 68:sc= 0.403 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.636 X(o=-0.64,f=-1.1) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 70:sc= -4! USER MOD Single : A 83 SER OG : rot 180:sc= 0 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 4.169 -4.454 -4.282 1.00 0.00 N ATOM 31 CA GLN A 16 5.088 -5.325 -4.995 1.00 0.00 C ATOM 32 C GLN A 16 5.243 -4.861 -6.444 1.00 0.00 C ATOM 33 O GLN A 16 6.360 -4.676 -6.925 1.00 0.00 O ATOM 34 CB GLN A 16 4.622 -6.781 -4.932 1.00 0.00 C ATOM 35 CG GLN A 16 4.540 -7.269 -3.485 1.00 0.00 C ATOM 36 CD GLN A 16 5.931 -7.350 -2.853 1.00 0.00 C ATOM 37 OE1 GLN A 16 6.881 -7.836 -3.443 1.00 0.00 O ATOM 38 NE2 GLN A 16 5.997 -6.847 -1.623 1.00 0.00 N ATOM 0 HA GLN A 16 6.063 -5.268 -4.510 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.645 -6.875 -5.407 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.311 -7.412 -5.494 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.912 -6.593 -2.905 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.065 -8.250 -3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.162 -6.455 -1.187 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.882 -6.854 -1.116 1.00 0.00 H new ATOM 47 N GLU A 17 4.105 -4.686 -7.101 1.00 0.00 N ATOM 48 CA GLU A 17 4.101 -4.246 -8.486 1.00 0.00 C ATOM 49 C GLU A 17 4.849 -2.919 -8.624 1.00 0.00 C ATOM 50 O GLU A 17 5.676 -2.759 -9.521 1.00 0.00 O ATOM 51 CB GLU A 17 2.671 -4.128 -9.019 1.00 0.00 C ATOM 52 CG GLU A 17 2.647 -3.403 -10.366 1.00 0.00 C ATOM 53 CD GLU A 17 1.228 -3.355 -10.937 1.00 0.00 C ATOM 54 OE1 GLU A 17 0.860 -4.209 -11.757 1.00 0.00 O ATOM 55 OE2 GLU A 17 0.497 -2.387 -10.498 1.00 0.00 O ATOM 0 H GLU A 17 3.180 -4.841 -6.700 1.00 0.00 H new ATOM 0 HA GLU A 17 4.617 -4.995 -9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.237 -5.122 -9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.054 -3.588 -8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.028 -2.389 -10.244 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.309 -3.910 -11.068 1.00 0.00 H new ATOM 63 N GLN A 18 4.532 -2.001 -7.724 1.00 0.00 N ATOM 64 CA GLN A 18 5.164 -0.693 -7.734 1.00 0.00 C ATOM 65 C GLN A 18 6.678 -0.833 -7.561 1.00 0.00 C ATOM 66 O GLN A 18 7.447 -0.096 -8.176 1.00 0.00 O ATOM 67 CB GLN A 18 4.570 0.212 -6.652 1.00 0.00 C ATOM 68 CG GLN A 18 4.759 1.688 -7.008 1.00 0.00 C ATOM 69 CD GLN A 18 6.128 2.192 -6.547 1.00 0.00 C ATOM 70 OE1 GLN A 18 7.009 2.484 -7.339 1.00 0.00 O ATOM 71 NE2 GLN A 18 6.258 2.276 -5.226 1.00 0.00 N ATOM 0 H GLN A 18 3.845 -2.137 -6.982 1.00 0.00 H new ATOM 0 HA GLN A 18 4.970 -0.225 -8.699 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.508 -0.004 -6.534 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.046 0.001 -5.695 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.662 1.821 -8.086 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.973 2.282 -6.542 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.480 2.016 -4.619 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.135 2.601 -4.820 1.00 0.00 H new ATOM 80 N TRP A 19 7.059 -1.784 -6.722 1.00 0.00 N ATOM 81 CA TRP A 19 8.467 -2.031 -6.460 1.00 0.00 C ATOM 82 C TRP A 19 9.122 -2.469 -7.772 1.00 0.00 C ATOM 83 O TRP A 19 10.291 -2.172 -8.015 1.00 0.00 O ATOM 84 CB TRP A 19 8.645 -3.051 -5.334 1.00 0.00 C ATOM 85 CG TRP A 19 10.039 -3.680 -5.278 1.00 0.00 C ATOM 86 CD1 TRP A 19 11.124 -3.227 -4.636 1.00 0.00 C ATOM 87 CD2 TRP A 19 10.455 -4.904 -5.919 1.00 0.00 C ATOM 88 NE1 TRP A 19 12.205 -4.066 -4.816 1.00 0.00 N ATOM 89 CE2 TRP A 19 11.785 -5.118 -5.621 1.00 0.00 C ATOM 90 CE3 TRP A 19 9.731 -5.801 -6.725 1.00 0.00 C ATOM 91 CZ2 TRP A 19 12.507 -6.223 -6.087 1.00 0.00 C ATOM 92 CZ3 TRP A 19 10.467 -6.901 -7.182 1.00 0.00 C ATOM 93 CH2 TRP A 19 11.807 -7.130 -6.891 1.00 0.00 C ATOM 0 H TRP A 19 6.417 -2.393 -6.214 1.00 0.00 H new ATOM 0 HA TRP A 19 8.959 -1.123 -6.111 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.439 -2.564 -4.381 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.905 -3.842 -5.454 1.00 0.00 H new ATOM 0 HD1 TRP A 19 11.150 -2.319 -4.051 1.00 0.00 H new ATOM 0 HE1 TRP A 19 13.140 -3.938 -4.429 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.690 -5.653 -6.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 13.548 -6.368 -5.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 9.958 -7.622 -7.804 1.00 0.00 H new ATOM 0 HH2 TRP A 19 12.306 -8.004 -7.284 1.00 0.00 H new ATOM 104 N ALA A 20 8.341 -3.167 -8.582 1.00 0.00 N ATOM 105 CA ALA A 20 8.830 -3.649 -9.863 1.00 0.00 C ATOM 106 C ALA A 20 8.907 -2.480 -10.846 1.00 0.00 C ATOM 107 O ALA A 20 9.883 -2.348 -11.584 1.00 0.00 O ATOM 108 CB ALA A 20 7.924 -4.775 -10.365 1.00 0.00 C ATOM 0 H ALA A 20 7.372 -3.411 -8.376 1.00 0.00 H new ATOM 0 HA ALA A 20 9.834 -4.061 -9.761 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.291 -5.136 -11.326 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.927 -5.593 -9.645 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.908 -4.399 -10.483 1.00 0.00 H new ATOM 114 N MET A 21 7.866 -1.661 -10.826 1.00 0.00 N ATOM 115 CA MET A 21 7.804 -0.507 -11.707 1.00 0.00 C ATOM 116 C MET A 21 9.058 0.359 -11.566 1.00 0.00 C ATOM 117 O MET A 21 9.363 1.163 -12.445 1.00 0.00 O ATOM 118 CB MET A 21 6.567 0.328 -11.369 1.00 0.00 C ATOM 119 CG MET A 21 5.286 -0.401 -11.780 1.00 0.00 C ATOM 120 SD MET A 21 4.008 0.783 -12.167 1.00 0.00 S ATOM 121 CE MET A 21 4.423 1.144 -13.865 1.00 0.00 C ATOM 0 H MET A 21 7.058 -1.774 -10.213 1.00 0.00 H new ATOM 0 HA MET A 21 7.744 -0.862 -12.736 1.00 0.00 H new ATOM 0 HB2 MET A 21 6.545 0.535 -10.299 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.622 1.290 -11.879 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.480 -1.035 -12.645 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.955 -1.055 -10.973 1.00 0.00 H new ATOM 0 HE1 MET A 21 3.512 1.352 -14.426 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.078 2.014 -13.902 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.933 0.287 -14.305 1.00 0.00 H new ATOM 131 N GLN A 22 9.751 0.164 -10.453 1.00 0.00 N ATOM 132 CA GLN A 22 10.965 0.917 -10.186 1.00 0.00 C ATOM 133 C GLN A 22 11.919 0.826 -11.379 1.00 0.00 C ATOM 134 O GLN A 22 11.956 1.724 -12.218 1.00 0.00 O ATOM 135 CB GLN A 22 11.641 0.429 -8.904 1.00 0.00 C ATOM 136 CG GLN A 22 10.757 0.691 -7.683 1.00 0.00 C ATOM 137 CD GLN A 22 11.514 0.402 -6.385 1.00 0.00 C ATOM 138 OE1 GLN A 22 11.647 1.244 -5.513 1.00 0.00 O ATOM 139 NE2 GLN A 22 12.001 -0.833 -6.307 1.00 0.00 N ATOM 0 H GLN A 22 9.495 -0.504 -9.726 1.00 0.00 H new ATOM 0 HA GLN A 22 10.696 1.963 -10.040 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.851 -0.638 -8.983 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.599 0.934 -8.779 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.421 1.728 -7.689 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.865 0.066 -7.735 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.853 -1.489 -7.074 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.522 -1.124 -5.480 1.00 0.00 H new ATOM 148 N THR A 23 12.667 -0.267 -11.415 1.00 0.00 N ATOM 149 CA THR A 23 13.619 -0.487 -12.491 1.00 0.00 C ATOM 150 C THR A 23 12.916 -0.412 -13.848 1.00 0.00 C ATOM 151 O THR A 23 13.344 0.329 -14.732 1.00 0.00 O ATOM 152 CB THR A 23 14.314 -1.827 -12.240 1.00 0.00 C ATOM 153 OG1 THR A 23 14.650 -1.790 -10.855 1.00 0.00 O ATOM 154 CG2 THR A 23 15.667 -1.926 -12.948 1.00 0.00 C ATOM 0 H THR A 23 12.633 -1.010 -10.717 1.00 0.00 H new ATOM 0 HA THR A 23 14.381 0.292 -12.511 1.00 0.00 H new ATOM 0 HB THR A 23 13.668 -2.639 -12.574 1.00 0.00 H new ATOM 0 HG1 THR A 23 15.103 -2.622 -10.606 1.00 0.00 H new ATOM 0 HG21 THR A 23 16.118 -2.896 -12.737 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.524 -1.818 -14.023 1.00 0.00 H new ATOM 0 HG23 THR A 23 16.325 -1.134 -12.589 1.00 0.00 H new ATOM 162 N LEU A 24 11.850 -1.190 -13.970 1.00 0.00 N ATOM 163 CA LEU A 24 11.085 -1.221 -15.205 1.00 0.00 C ATOM 164 C LEU A 24 10.968 0.199 -15.763 1.00 0.00 C ATOM 165 O LEU A 24 11.251 0.434 -16.937 1.00 0.00 O ATOM 166 CB LEU A 24 9.735 -1.906 -14.981 1.00 0.00 C ATOM 167 CG LEU A 24 9.135 -2.616 -16.196 1.00 0.00 C ATOM 168 CD1 LEU A 24 9.491 -4.104 -16.193 1.00 0.00 C ATOM 169 CD2 LEU A 24 7.623 -2.389 -16.272 1.00 0.00 C ATOM 0 H LEU A 24 11.498 -1.803 -13.235 1.00 0.00 H new ATOM 0 HA LEU A 24 11.600 -1.819 -15.957 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.848 -2.635 -14.178 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.023 -1.157 -14.634 1.00 0.00 H new ATOM 0 HG LEU A 24 9.572 -2.182 -17.095 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.052 -4.585 -17.067 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.575 -4.219 -16.221 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.100 -4.570 -15.288 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.221 -2.904 -17.144 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.151 -2.779 -15.371 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.419 -1.321 -16.355 1.00 0.00 H new ATOM 181 N MET A 25 10.550 1.109 -14.896 1.00 0.00 N ATOM 182 CA MET A 25 10.392 2.500 -15.288 1.00 0.00 C ATOM 183 C MET A 25 11.752 3.162 -15.519 1.00 0.00 C ATOM 184 O MET A 25 11.891 4.012 -16.397 1.00 0.00 O ATOM 185 CB MET A 25 9.635 3.256 -14.194 1.00 0.00 C ATOM 186 CG MET A 25 9.612 4.758 -14.482 1.00 0.00 C ATOM 187 SD MET A 25 8.109 5.479 -13.844 1.00 0.00 S ATOM 188 CE MET A 25 6.953 4.944 -15.095 1.00 0.00 C ATOM 0 H MET A 25 10.316 0.911 -13.923 1.00 0.00 H new ATOM 0 HA MET A 25 9.829 2.534 -16.221 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.614 2.879 -14.126 1.00 0.00 H new ATOM 0 HB3 MET A 25 10.107 3.074 -13.228 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.478 5.238 -14.025 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.681 4.932 -15.556 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.589 5.810 -15.648 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.451 4.258 -15.781 1.00 0.00 H new ATOM 0 HE3 MET A 25 6.113 4.437 -14.621 1.00 0.00 H new ATOM 198 N GLY A 26 12.721 2.747 -14.716 1.00 0.00 N ATOM 199 CA GLY A 26 14.064 3.289 -14.822 1.00 0.00 C ATOM 200 C GLY A 26 14.762 2.782 -16.085 1.00 0.00 C ATOM 201 O GLY A 26 15.842 3.256 -16.435 1.00 0.00 O ATOM 0 H GLY A 26 12.602 2.041 -13.989 1.00 0.00 H new ATOM 0 HA2 GLY A 26 14.020 4.378 -14.839 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.644 3.007 -13.943 1.00 0.00 H new ATOM 205 N SER A 27 14.117 1.824 -16.735 1.00 0.00 N ATOM 206 CA SER A 27 14.663 1.247 -17.952 1.00 0.00 C ATOM 207 C SER A 27 14.760 2.317 -19.040 1.00 0.00 C ATOM 208 O SER A 27 15.492 2.152 -20.015 1.00 0.00 O ATOM 209 CB SER A 27 13.808 0.074 -18.436 1.00 0.00 C ATOM 210 OG SER A 27 14.295 -0.472 -19.659 1.00 0.00 O ATOM 0 H SER A 27 13.222 1.433 -16.442 1.00 0.00 H new ATOM 0 HA SER A 27 15.662 0.868 -17.734 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.793 -0.703 -17.672 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.779 0.407 -18.572 1.00 0.00 H new ATOM 0 HG SER A 27 13.680 -1.166 -19.976 1.00 0.00 H new ATOM 216 N GLY A 28 14.012 3.392 -18.838 1.00 0.00 N ATOM 217 CA GLY A 28 14.005 4.489 -19.790 1.00 0.00 C ATOM 218 C GLY A 28 12.835 4.361 -20.766 1.00 0.00 C ATOM 219 O GLY A 28 12.718 5.144 -21.708 1.00 0.00 O ATOM 0 H GLY A 28 13.406 3.526 -18.028 1.00 0.00 H new ATOM 0 HA2 GLY A 28 13.936 5.437 -19.257 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.944 4.501 -20.343 1.00 0.00 H new ATOM 223 N VAL A 29 11.997 3.367 -20.509 1.00 0.00 N ATOM 224 CA VAL A 29 10.840 3.125 -21.353 1.00 0.00 C ATOM 225 C VAL A 29 9.790 4.208 -21.094 1.00 0.00 C ATOM 226 O VAL A 29 9.233 4.775 -22.033 1.00 0.00 O ATOM 227 CB VAL A 29 10.309 1.709 -21.121 1.00 0.00 C ATOM 228 CG1 VAL A 29 9.151 1.395 -22.071 1.00 0.00 C ATOM 229 CG2 VAL A 29 11.427 0.675 -21.258 1.00 0.00 C ATOM 0 H VAL A 29 12.097 2.720 -19.727 1.00 0.00 H new ATOM 0 HA VAL A 29 11.116 3.185 -22.406 1.00 0.00 H new ATOM 0 HB VAL A 29 9.928 1.657 -20.101 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.792 0.383 -21.885 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.340 2.104 -21.903 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.495 1.474 -23.102 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.023 -0.323 -21.088 1.00 0.00 H new ATOM 0 HG22 VAL A 29 11.852 0.729 -22.260 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.205 0.881 -20.523 1.00 0.00 H new ATOM 239 N LEU A 30 9.551 4.461 -19.816 1.00 0.00 N ATOM 240 CA LEU A 30 8.578 5.465 -19.421 1.00 0.00 C ATOM 241 C LEU A 30 9.308 6.756 -19.045 1.00 0.00 C ATOM 242 O LEU A 30 10.537 6.808 -19.065 1.00 0.00 O ATOM 243 CB LEU A 30 7.671 4.926 -18.313 1.00 0.00 C ATOM 244 CG LEU A 30 6.512 4.037 -18.768 1.00 0.00 C ATOM 245 CD1 LEU A 30 5.891 3.297 -17.582 1.00 0.00 C ATOM 246 CD2 LEU A 30 5.473 4.847 -19.547 1.00 0.00 C ATOM 0 H LEU A 30 10.015 3.988 -19.040 1.00 0.00 H new ATOM 0 HA LEU A 30 7.917 5.703 -20.254 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.284 4.359 -17.612 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.259 5.773 -17.764 1.00 0.00 H new ATOM 0 HG LEU A 30 6.907 3.282 -19.448 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.070 2.672 -17.933 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.647 2.671 -17.108 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.514 4.020 -16.859 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.660 4.192 -19.859 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.077 5.639 -18.911 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.941 5.289 -20.427 1.00 0.00 H new ATOM 258 N ALA A 31 8.520 7.768 -18.710 1.00 0.00 N ATOM 259 CA ALA A 31 9.076 9.055 -18.330 1.00 0.00 C ATOM 260 C ALA A 31 8.560 9.439 -16.941 1.00 0.00 C ATOM 261 O ALA A 31 7.373 9.292 -16.654 1.00 0.00 O ATOM 262 CB ALA A 31 8.721 10.098 -19.392 1.00 0.00 C ATOM 0 H ALA A 31 7.501 7.722 -18.694 1.00 0.00 H new ATOM 0 HA ALA A 31 10.163 9.002 -18.275 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.138 11.064 -19.107 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.134 9.794 -20.353 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.637 10.180 -19.473 1.00 0.00 H new ATOM 268 N ARG A 32 9.477 9.922 -16.117 1.00 0.00 N ATOM 269 CA ARG A 32 9.130 10.328 -14.765 1.00 0.00 C ATOM 270 C ARG A 32 9.507 11.793 -14.537 1.00 0.00 C ATOM 271 O ARG A 32 10.449 12.297 -15.146 1.00 0.00 O ATOM 272 CB ARG A 32 9.842 9.457 -13.729 1.00 0.00 C ATOM 273 CG ARG A 32 9.346 9.769 -12.316 1.00 0.00 C ATOM 274 CD ARG A 32 9.392 8.523 -11.430 1.00 0.00 C ATOM 275 NE ARG A 32 10.763 8.322 -10.910 1.00 0.00 N ATOM 276 CZ ARG A 32 11.209 7.169 -10.393 1.00 0.00 C ATOM 277 NH1 ARG A 32 10.396 6.107 -10.324 1.00 0.00 N ATOM 278 NH2 ARG A 32 12.469 7.079 -9.945 1.00 0.00 N ATOM 0 H ARG A 32 10.461 10.042 -16.359 1.00 0.00 H new ATOM 0 HA ARG A 32 8.053 10.205 -14.648 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.671 8.404 -13.954 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.918 9.624 -13.786 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.961 10.555 -11.877 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.326 10.150 -12.361 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.692 8.630 -10.601 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.079 7.649 -12.001 1.00 0.00 H new ATOM 0 HE ARG A 32 11.409 9.111 -10.948 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.437 6.176 -10.665 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.736 5.229 -9.930 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.088 7.888 -9.998 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.809 6.202 -9.551 1.00 0.00 H new ATOM 292 N CYS A 33 8.752 12.435 -13.658 1.00 0.00 N ATOM 293 CA CYS A 33 8.996 13.832 -13.342 1.00 0.00 C ATOM 294 C CYS A 33 10.095 13.900 -12.280 1.00 0.00 C ATOM 295 O CYS A 33 10.038 13.191 -11.276 1.00 0.00 O ATOM 296 CB CYS A 33 7.718 14.541 -12.887 1.00 0.00 C ATOM 297 SG CYS A 33 6.729 15.043 -14.342 1.00 0.00 S ATOM 0 H CYS A 33 7.971 12.014 -13.155 1.00 0.00 H new ATOM 0 HA CYS A 33 9.325 14.358 -14.238 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.132 13.879 -12.250 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.971 15.417 -12.289 1.00 0.00 H new ATOM 0 HG CYS A 33 5.563 15.463 -13.950 1.00 0.00 H new ATOM 302 N ARG A 34 11.070 14.759 -12.537 1.00 0.00 N ATOM 303 CA ARG A 34 12.181 14.928 -11.615 1.00 0.00 C ATOM 304 C ARG A 34 11.673 15.413 -10.256 1.00 0.00 C ATOM 305 O ARG A 34 12.399 15.363 -9.264 1.00 0.00 O ATOM 306 CB ARG A 34 13.200 15.932 -12.159 1.00 0.00 C ATOM 307 CG ARG A 34 12.728 17.370 -11.932 1.00 0.00 C ATOM 308 CD ARG A 34 13.342 17.953 -10.658 1.00 0.00 C ATOM 309 NE ARG A 34 14.817 17.839 -10.708 1.00 0.00 N ATOM 310 CZ ARG A 34 15.620 18.732 -11.301 1.00 0.00 C ATOM 311 NH1 ARG A 34 15.096 19.811 -11.898 1.00 0.00 N ATOM 312 NH2 ARG A 34 16.947 18.547 -11.297 1.00 0.00 N ATOM 0 H ARG A 34 11.114 15.346 -13.370 1.00 0.00 H new ATOM 0 HA ARG A 34 12.668 13.959 -11.500 1.00 0.00 H new ATOM 0 HB2 ARG A 34 14.162 15.780 -11.670 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.353 15.759 -13.224 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.003 17.986 -12.788 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.641 17.393 -11.859 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.053 18.999 -10.551 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.958 17.425 -9.785 1.00 0.00 H new ATOM 0 HE ARG A 34 15.249 17.029 -10.263 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.086 19.952 -11.901 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.707 20.491 -12.350 1.00 0.00 H new ATOM 0 HH21 ARG A 34 17.346 17.726 -10.842 1.00 0.00 H new ATOM 0 HH22 ARG A 34 17.558 19.227 -11.749 1.00 0.00 H new ATOM 326 N ILE A 35 10.430 15.872 -10.253 1.00 0.00 N ATOM 327 CA ILE A 35 9.817 16.366 -9.032 1.00 0.00 C ATOM 328 C ILE A 35 8.878 15.297 -8.470 1.00 0.00 C ATOM 329 O ILE A 35 8.415 15.406 -7.335 1.00 0.00 O ATOM 330 CB ILE A 35 9.136 17.713 -9.281 1.00 0.00 C ATOM 331 CG1 ILE A 35 10.156 18.774 -9.699 1.00 0.00 C ATOM 332 CG2 ILE A 35 8.322 18.149 -8.061 1.00 0.00 C ATOM 333 CD1 ILE A 35 10.648 19.569 -8.487 1.00 0.00 C ATOM 0 H ILE A 35 9.831 15.912 -11.077 1.00 0.00 H new ATOM 0 HA ILE A 35 10.577 16.555 -8.274 1.00 0.00 H new ATOM 0 HB ILE A 35 8.437 17.595 -10.109 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.002 18.296 -10.193 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.705 19.451 -10.424 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.848 19.109 -8.264 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.555 17.404 -7.850 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.982 18.245 -7.199 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.372 20.316 -8.812 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.803 20.065 -8.010 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.120 18.892 -7.775 1.00 0.00 H new ATOM 345 N HIS A 36 8.624 14.287 -9.290 1.00 0.00 N ATOM 346 CA HIS A 36 7.749 13.199 -8.888 1.00 0.00 C ATOM 347 C HIS A 36 8.394 11.860 -9.251 1.00 0.00 C ATOM 348 O HIS A 36 8.469 11.501 -10.425 1.00 0.00 O ATOM 349 CB HIS A 36 6.356 13.370 -9.498 1.00 0.00 C ATOM 350 CG HIS A 36 6.056 14.775 -9.961 1.00 0.00 C ATOM 351 ND1 HIS A 36 6.259 15.887 -9.163 1.00 0.00 N ATOM 352 CD2 HIS A 36 5.568 15.237 -11.148 1.00 0.00 C ATOM 353 CE1 HIS A 36 5.905 16.965 -9.848 1.00 0.00 C ATOM 354 NE2 HIS A 36 5.477 16.560 -11.078 1.00 0.00 N ATOM 0 H HIS A 36 9.009 14.200 -10.231 1.00 0.00 H new ATOM 0 HA HIS A 36 7.614 13.216 -7.806 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.255 12.690 -10.344 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.609 13.074 -8.761 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.301 14.630 -12.000 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.948 17.985 -9.494 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.142 17.172 -11.822 1.00 0.00 H new ATOM 362 N ASN A 37 8.844 11.159 -8.221 1.00 0.00 N ATOM 363 CA ASN A 37 9.481 9.867 -8.417 1.00 0.00 C ATOM 364 C ASN A 37 8.446 8.758 -8.222 1.00 0.00 C ATOM 365 O ASN A 37 8.724 7.590 -8.490 1.00 0.00 O ATOM 366 CB ASN A 37 10.605 9.648 -7.402 1.00 0.00 C ATOM 367 CG ASN A 37 11.856 10.438 -7.790 1.00 0.00 C ATOM 368 OD1 ASN A 37 12.951 9.909 -7.887 1.00 0.00 O ATOM 369 ND2 ASN A 37 11.634 11.732 -8.006 1.00 0.00 N ATOM 0 H ASN A 37 8.780 11.461 -7.249 1.00 0.00 H new ATOM 0 HA ASN A 37 9.895 9.845 -9.425 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.270 9.955 -6.411 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.845 8.586 -7.343 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.406 12.345 -8.270 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.692 12.111 -7.908 1.00 0.00 H new ATOM 376 N ASP A 38 7.273 9.162 -7.756 1.00 0.00 N ATOM 377 CA ASP A 38 6.194 8.217 -7.523 1.00 0.00 C ATOM 378 C ASP A 38 5.110 8.415 -8.584 1.00 0.00 C ATOM 379 O ASP A 38 3.947 8.086 -8.356 1.00 0.00 O ATOM 380 CB ASP A 38 5.557 8.437 -6.149 1.00 0.00 C ATOM 381 CG ASP A 38 6.503 8.251 -4.961 1.00 0.00 C ATOM 382 OD1 ASP A 38 7.382 7.376 -4.975 1.00 0.00 O ATOM 383 OD2 ASP A 38 6.307 9.061 -3.976 1.00 0.00 O ATOM 0 H ASP A 38 7.046 10.131 -7.534 1.00 0.00 H new ATOM 0 HA ASP A 38 6.611 7.211 -7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.146 9.446 -6.113 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.720 7.748 -6.039 1.00 0.00 H new ATOM 389 N VAL A 39 5.529 8.951 -9.720 1.00 0.00 N ATOM 390 CA VAL A 39 4.608 9.197 -10.817 1.00 0.00 C ATOM 391 C VAL A 39 5.072 8.418 -12.050 1.00 0.00 C ATOM 392 O VAL A 39 6.262 8.154 -12.210 1.00 0.00 O ATOM 393 CB VAL A 39 4.486 10.701 -11.071 1.00 0.00 C ATOM 394 CG1 VAL A 39 5.460 11.154 -12.160 1.00 0.00 C ATOM 395 CG2 VAL A 39 3.048 11.081 -11.429 1.00 0.00 C ATOM 0 H VAL A 39 6.495 9.222 -9.905 1.00 0.00 H new ATOM 0 HA VAL A 39 3.609 8.842 -10.564 1.00 0.00 H new ATOM 0 HB VAL A 39 4.750 11.219 -10.149 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.353 12.227 -12.321 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.481 10.934 -11.849 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.241 10.624 -13.087 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.988 12.155 -11.605 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.745 10.549 -12.330 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.385 10.810 -10.607 1.00 0.00 H new ATOM 405 N ILE A 40 4.106 8.073 -12.889 1.00 0.00 N ATOM 406 CA ILE A 40 4.400 7.330 -14.103 1.00 0.00 C ATOM 407 C ILE A 40 3.868 8.104 -15.311 1.00 0.00 C ATOM 408 O ILE A 40 2.670 8.368 -15.406 1.00 0.00 O ATOM 409 CB ILE A 40 3.860 5.903 -14.001 1.00 0.00 C ATOM 410 CG1 ILE A 40 3.614 5.309 -15.390 1.00 0.00 C ATOM 411 CG2 ILE A 40 2.607 5.851 -13.126 1.00 0.00 C ATOM 412 CD1 ILE A 40 3.320 3.810 -15.302 1.00 0.00 C ATOM 0 H ILE A 40 3.120 8.294 -12.752 1.00 0.00 H new ATOM 0 HA ILE A 40 5.477 7.230 -14.237 1.00 0.00 H new ATOM 0 HB ILE A 40 4.617 5.286 -13.516 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.776 5.820 -15.865 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.488 5.475 -16.020 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.244 4.825 -13.071 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.848 6.205 -12.124 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.834 6.486 -13.559 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.149 3.413 -16.303 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.169 3.299 -14.849 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.432 3.649 -14.691 1.00 0.00 H new ATOM 424 N LEU A 41 4.785 8.448 -16.204 1.00 0.00 N ATOM 425 CA LEU A 41 4.423 9.186 -17.402 1.00 0.00 C ATOM 426 C LEU A 41 4.816 8.372 -18.636 1.00 0.00 C ATOM 427 O LEU A 41 5.732 7.552 -18.578 1.00 0.00 O ATOM 428 CB LEU A 41 5.033 10.589 -17.371 1.00 0.00 C ATOM 429 CG LEU A 41 5.285 11.180 -15.982 1.00 0.00 C ATOM 430 CD1 LEU A 41 6.357 12.270 -16.037 1.00 0.00 C ATOM 431 CD2 LEU A 41 3.984 11.687 -15.358 1.00 0.00 C ATOM 0 H LEU A 41 5.778 8.229 -16.122 1.00 0.00 H new ATOM 0 HA LEU A 41 3.344 9.333 -17.447 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.980 10.564 -17.911 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.373 11.263 -17.917 1.00 0.00 H new ATOM 0 HG LEU A 41 5.664 10.387 -15.337 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.517 12.674 -15.037 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.289 11.845 -16.410 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.030 13.069 -16.703 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.191 12.102 -14.372 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.553 12.460 -15.994 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.280 10.861 -15.263 1.00 0.00 H new ATOM 443 N ASP A 42 4.105 8.626 -19.725 1.00 0.00 N ATOM 444 CA ASP A 42 4.369 7.927 -20.971 1.00 0.00 C ATOM 445 C ASP A 42 5.486 8.647 -21.729 1.00 0.00 C ATOM 446 O ASP A 42 5.437 9.863 -21.907 1.00 0.00 O ATOM 447 CB ASP A 42 3.127 7.909 -21.865 1.00 0.00 C ATOM 448 CG ASP A 42 3.129 6.831 -22.951 1.00 0.00 C ATOM 449 OD1 ASP A 42 3.502 7.089 -24.106 1.00 0.00 O ATOM 450 OD2 ASP A 42 2.719 5.670 -22.568 1.00 0.00 O ATOM 0 H ASP A 42 3.346 9.306 -19.770 1.00 0.00 H new ATOM 0 HA ASP A 42 4.656 6.903 -20.729 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.247 7.769 -21.237 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.027 8.884 -22.342 1.00 0.00 H new ATOM 456 N SER A 43 6.468 7.866 -22.154 1.00 0.00 N ATOM 457 CA SER A 43 7.596 8.414 -22.888 1.00 0.00 C ATOM 458 C SER A 43 7.490 8.038 -24.367 1.00 0.00 C ATOM 459 O SER A 43 7.541 8.906 -25.237 1.00 0.00 O ATOM 460 CB SER A 43 8.923 7.919 -22.309 1.00 0.00 C ATOM 461 OG SER A 43 10.016 8.749 -22.693 1.00 0.00 O ATOM 0 H SER A 43 6.506 6.858 -22.004 1.00 0.00 H new ATOM 0 HA SER A 43 7.571 9.500 -22.792 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.855 7.889 -21.222 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.107 6.899 -22.645 1.00 0.00 H new ATOM 0 HG SER A 43 10.844 8.401 -22.302 1.00 0.00 H new ATOM 467 N GLY A 44 7.344 6.743 -24.607 1.00 0.00 N ATOM 468 CA GLY A 44 7.230 6.242 -25.966 1.00 0.00 C ATOM 469 C GLY A 44 8.555 5.645 -26.443 1.00 0.00 C ATOM 470 O GLY A 44 8.915 5.778 -27.612 1.00 0.00 O ATOM 0 H GLY A 44 7.302 6.026 -23.883 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.448 5.485 -26.014 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.931 7.051 -26.632 1.00 0.00 H new ATOM 474 N ASN A 45 9.245 5.000 -25.514 1.00 0.00 N ATOM 475 CA ASN A 45 10.523 4.382 -25.825 1.00 0.00 C ATOM 476 C ASN A 45 10.326 2.875 -26.005 1.00 0.00 C ATOM 477 O ASN A 45 9.219 2.366 -25.836 1.00 0.00 O ATOM 478 CB ASN A 45 11.528 4.595 -24.692 1.00 0.00 C ATOM 479 CG ASN A 45 12.390 5.832 -24.949 1.00 0.00 C ATOM 480 OD1 ASN A 45 12.905 6.048 -26.034 1.00 0.00 O ATOM 481 ND2 ASN A 45 12.519 6.631 -23.893 1.00 0.00 N ATOM 0 H ASN A 45 8.943 4.892 -24.546 1.00 0.00 H new ATOM 0 HA ASN A 45 10.905 4.840 -26.737 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.997 4.707 -23.747 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.166 3.716 -24.597 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.076 7.483 -23.963 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.061 6.392 -23.013 1.00 0.00 H new ATOM 488 N ASP A 46 11.416 2.205 -26.346 1.00 0.00 N ATOM 489 CA ASP A 46 11.377 0.767 -26.551 1.00 0.00 C ATOM 490 C ASP A 46 10.671 0.106 -25.365 1.00 0.00 C ATOM 491 O ASP A 46 11.246 -0.012 -24.284 1.00 0.00 O ATOM 492 CB ASP A 46 12.789 0.185 -26.645 1.00 0.00 C ATOM 493 CG ASP A 46 13.564 0.569 -27.907 1.00 0.00 C ATOM 494 OD1 ASP A 46 13.191 0.187 -29.027 1.00 0.00 O ATOM 495 OD2 ASP A 46 14.606 1.302 -27.705 1.00 0.00 O ATOM 0 H ASP A 46 12.332 2.631 -26.486 1.00 0.00 H new ATOM 0 HA ASP A 46 10.845 0.574 -27.482 1.00 0.00 H new ATOM 0 HB2 ASP A 46 13.358 0.510 -25.774 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.722 -0.902 -26.595 1.00 0.00 H new ATOM 501 N ALA A 47 9.436 -0.307 -25.607 1.00 0.00 N ATOM 502 CA ALA A 47 8.646 -0.952 -24.572 1.00 0.00 C ATOM 503 C ALA A 47 9.127 -2.393 -24.394 1.00 0.00 C ATOM 504 O ALA A 47 8.902 -3.002 -23.349 1.00 0.00 O ATOM 505 CB ALA A 47 7.163 -0.874 -24.939 1.00 0.00 C ATOM 0 H ALA A 47 8.963 -0.208 -26.505 1.00 0.00 H new ATOM 0 HA ALA A 47 8.773 -0.441 -23.617 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.570 -1.358 -24.163 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.864 0.171 -25.026 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.997 -1.379 -25.890 1.00 0.00 H new ATOM 511 N SER A 48 9.781 -2.898 -25.430 1.00 0.00 N ATOM 512 CA SER A 48 10.296 -4.256 -25.401 1.00 0.00 C ATOM 513 C SER A 48 11.277 -4.419 -24.238 1.00 0.00 C ATOM 514 O SER A 48 11.295 -5.456 -23.578 1.00 0.00 O ATOM 515 CB SER A 48 10.975 -4.616 -26.723 1.00 0.00 C ATOM 516 OG SER A 48 10.036 -4.752 -27.786 1.00 0.00 O ATOM 0 H SER A 48 9.966 -2.390 -26.295 1.00 0.00 H new ATOM 0 HA SER A 48 9.457 -4.937 -25.258 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.703 -3.846 -26.978 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.527 -5.549 -26.605 1.00 0.00 H new ATOM 0 HG SER A 48 10.509 -4.980 -28.613 1.00 0.00 H new ATOM 522 N SER A 49 12.069 -3.379 -24.024 1.00 0.00 N ATOM 523 CA SER A 49 13.050 -3.393 -22.953 1.00 0.00 C ATOM 524 C SER A 49 12.344 -3.466 -21.597 1.00 0.00 C ATOM 525 O SER A 49 12.762 -4.215 -20.716 1.00 0.00 O ATOM 526 CB SER A 49 13.953 -2.159 -23.016 1.00 0.00 C ATOM 527 OG SER A 49 15.090 -2.285 -22.166 1.00 0.00 O ATOM 0 H SER A 49 12.051 -2.521 -24.575 1.00 0.00 H new ATOM 0 HA SER A 49 13.678 -4.275 -23.076 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.284 -2.004 -24.043 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.381 -1.277 -22.728 1.00 0.00 H new ATOM 0 HG SER A 49 14.957 -1.744 -21.359 1.00 0.00 H new ATOM 533 N ALA A 50 11.287 -2.677 -21.474 1.00 0.00 N ATOM 534 CA ALA A 50 10.519 -2.643 -20.240 1.00 0.00 C ATOM 535 C ALA A 50 9.939 -4.032 -19.967 1.00 0.00 C ATOM 536 O ALA A 50 10.083 -4.563 -18.867 1.00 0.00 O ATOM 537 CB ALA A 50 9.435 -1.569 -20.344 1.00 0.00 C ATOM 0 H ALA A 50 10.944 -2.057 -22.208 1.00 0.00 H new ATOM 0 HA ALA A 50 11.158 -2.381 -19.397 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.859 -1.543 -19.419 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.900 -0.597 -20.509 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.772 -1.800 -21.178 1.00 0.00 H new ATOM 543 N TYR A 51 9.296 -4.582 -20.987 1.00 0.00 N ATOM 544 CA TYR A 51 8.694 -5.899 -20.870 1.00 0.00 C ATOM 545 C TYR A 51 9.717 -6.928 -20.385 1.00 0.00 C ATOM 546 O TYR A 51 9.436 -7.706 -19.475 1.00 0.00 O ATOM 547 CB TYR A 51 8.235 -6.279 -22.279 1.00 0.00 C ATOM 548 CG TYR A 51 7.364 -5.219 -22.957 1.00 0.00 C ATOM 549 CD1 TYR A 51 6.816 -4.196 -22.210 1.00 0.00 C ATOM 550 CD2 TYR A 51 7.127 -5.286 -24.315 1.00 0.00 C ATOM 551 CE1 TYR A 51 5.996 -3.198 -22.848 1.00 0.00 C ATOM 552 CE2 TYR A 51 6.307 -4.289 -24.953 1.00 0.00 C ATOM 553 CZ TYR A 51 5.782 -3.294 -24.188 1.00 0.00 C ATOM 554 OH TYR A 51 5.008 -2.352 -24.790 1.00 0.00 O ATOM 0 H TYR A 51 9.179 -4.139 -21.898 1.00 0.00 H new ATOM 0 HA TYR A 51 7.873 -5.884 -20.153 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.113 -6.464 -22.898 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.678 -7.214 -22.229 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.002 -4.144 -21.147 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.557 -6.086 -24.899 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.561 -2.392 -22.276 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.113 -4.330 -26.015 1.00 0.00 H new ATOM 0 HH TYR A 51 4.943 -2.546 -25.748 1.00 0.00 H new ATOM 564 N LYS A 52 10.883 -6.899 -21.015 1.00 0.00 N ATOM 565 CA LYS A 52 11.949 -7.820 -20.659 1.00 0.00 C ATOM 566 C LYS A 52 12.333 -7.607 -19.193 1.00 0.00 C ATOM 567 O LYS A 52 12.419 -8.563 -18.425 1.00 0.00 O ATOM 568 CB LYS A 52 13.124 -7.680 -21.629 1.00 0.00 C ATOM 569 CG LYS A 52 12.717 -8.090 -23.045 1.00 0.00 C ATOM 570 CD LYS A 52 13.713 -7.558 -24.078 1.00 0.00 C ATOM 571 CE LYS A 52 13.143 -7.662 -25.494 1.00 0.00 C ATOM 572 NZ LYS A 52 13.442 -8.990 -26.076 1.00 0.00 N ATOM 0 H LYS A 52 11.112 -6.252 -21.770 1.00 0.00 H new ATOM 0 HA LYS A 52 11.609 -8.851 -20.753 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.477 -6.649 -21.632 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.955 -8.300 -21.292 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.664 -9.177 -23.112 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.720 -7.708 -23.266 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.954 -6.519 -23.855 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.644 -8.122 -24.015 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.065 -7.503 -25.471 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.568 -6.879 -26.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.048 -9.044 -27.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.472 -9.128 -26.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.016 -9.732 -25.485 1.00 0.00 H new ATOM 586 N LEU A 53 12.552 -6.346 -18.849 1.00 0.00 N ATOM 587 CA LEU A 53 12.925 -5.995 -17.489 1.00 0.00 C ATOM 588 C LEU A 53 11.829 -6.462 -16.529 1.00 0.00 C ATOM 589 O LEU A 53 12.102 -6.754 -15.365 1.00 0.00 O ATOM 590 CB LEU A 53 13.236 -4.501 -17.387 1.00 0.00 C ATOM 591 CG LEU A 53 14.038 -4.065 -16.159 1.00 0.00 C ATOM 592 CD1 LEU A 53 13.112 -3.740 -14.986 1.00 0.00 C ATOM 593 CD2 LEU A 53 15.087 -5.116 -15.788 1.00 0.00 C ATOM 0 H LEU A 53 12.478 -5.555 -19.489 1.00 0.00 H new ATOM 0 HA LEU A 53 13.843 -6.508 -17.201 1.00 0.00 H new ATOM 0 HB2 LEU A 53 13.786 -4.203 -18.280 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.294 -3.953 -17.395 1.00 0.00 H new ATOM 0 HG LEU A 53 14.574 -3.149 -16.408 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.708 -3.433 -14.126 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.438 -2.931 -15.268 1.00 0.00 H new ATOM 0 HD13 LEU A 53 12.529 -4.624 -14.727 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.643 -4.782 -14.912 1.00 0.00 H new ATOM 0 HD22 LEU A 53 14.592 -6.061 -15.565 1.00 0.00 H new ATOM 0 HD23 LEU A 53 15.774 -5.255 -16.623 1.00 0.00 H new ATOM 605 N GLY A 54 10.613 -6.517 -17.051 1.00 0.00 N ATOM 606 CA GLY A 54 9.475 -6.943 -16.254 1.00 0.00 C ATOM 607 C GLY A 54 9.509 -8.454 -16.012 1.00 0.00 C ATOM 608 O GLY A 54 9.277 -8.913 -14.895 1.00 0.00 O ATOM 0 H GLY A 54 10.391 -6.274 -18.016 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.479 -6.418 -15.299 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.549 -6.673 -16.762 1.00 0.00 H new ATOM 612 N THR A 55 9.802 -9.185 -17.078 1.00 0.00 N ATOM 613 CA THR A 55 9.869 -10.634 -16.996 1.00 0.00 C ATOM 614 C THR A 55 11.007 -11.063 -16.068 1.00 0.00 C ATOM 615 O THR A 55 10.902 -12.075 -15.377 1.00 0.00 O ATOM 616 CB THR A 55 10.006 -11.182 -18.418 1.00 0.00 C ATOM 617 OG1 THR A 55 10.543 -10.091 -19.161 1.00 0.00 O ATOM 618 CG2 THR A 55 8.650 -11.448 -19.075 1.00 0.00 C ATOM 0 H THR A 55 9.996 -8.801 -18.003 1.00 0.00 H new ATOM 0 HA THR A 55 8.961 -11.048 -16.558 1.00 0.00 H new ATOM 0 HB THR A 55 10.587 -12.104 -18.397 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.459 -9.912 -18.863 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.803 -11.836 -20.082 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.097 -12.179 -18.485 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.082 -10.519 -19.126 1.00 0.00 H new ATOM 626 N TYR A 56 12.070 -10.271 -16.081 1.00 0.00 N ATOM 627 CA TYR A 56 13.226 -10.556 -15.249 1.00 0.00 C ATOM 628 C TYR A 56 12.919 -10.290 -13.774 1.00 0.00 C ATOM 629 O TYR A 56 13.139 -11.152 -12.925 1.00 0.00 O ATOM 630 CB TYR A 56 14.324 -9.596 -15.711 1.00 0.00 C ATOM 631 CG TYR A 56 15.744 -10.117 -15.480 1.00 0.00 C ATOM 632 CD1 TYR A 56 16.125 -11.336 -16.002 1.00 0.00 C ATOM 633 CD2 TYR A 56 16.644 -9.368 -14.749 1.00 0.00 C ATOM 634 CE1 TYR A 56 17.461 -11.827 -15.784 1.00 0.00 C ATOM 635 CE2 TYR A 56 17.980 -9.858 -14.532 1.00 0.00 C ATOM 636 CZ TYR A 56 18.323 -11.064 -15.060 1.00 0.00 C ATOM 637 OH TYR A 56 19.585 -11.527 -14.855 1.00 0.00 O ATOM 0 H TYR A 56 12.154 -9.432 -16.655 1.00 0.00 H new ATOM 0 HA TYR A 56 13.518 -11.602 -15.343 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.191 -9.393 -16.774 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.207 -8.647 -15.188 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.421 -11.922 -16.574 1.00 0.00 H new ATOM 0 HD2 TYR A 56 16.346 -8.414 -14.340 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.772 -12.780 -16.186 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.694 -9.281 -13.963 1.00 0.00 H new ATOM 0 HH TYR A 56 20.089 -10.877 -14.323 1.00 0.00 H new ATOM 647 N LEU A 57 12.416 -9.092 -13.514 1.00 0.00 N ATOM 648 CA LEU A 57 12.077 -8.701 -12.156 1.00 0.00 C ATOM 649 C LEU A 57 11.001 -9.643 -11.613 1.00 0.00 C ATOM 650 O LEU A 57 11.132 -10.172 -10.510 1.00 0.00 O ATOM 651 CB LEU A 57 11.683 -7.224 -12.106 1.00 0.00 C ATOM 652 CG LEU A 57 11.768 -6.553 -10.734 1.00 0.00 C ATOM 653 CD1 LEU A 57 13.016 -7.011 -9.976 1.00 0.00 C ATOM 654 CD2 LEU A 57 11.703 -5.030 -10.862 1.00 0.00 C ATOM 0 H LEU A 57 12.235 -8.379 -14.221 1.00 0.00 H new ATOM 0 HA LEU A 57 12.945 -8.797 -11.504 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.322 -6.674 -12.797 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.661 -7.129 -12.472 1.00 0.00 H new ATOM 0 HG LEU A 57 10.903 -6.864 -10.149 1.00 0.00 H new ATOM 0 HD11 LEU A 57 13.052 -6.519 -9.004 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.980 -8.091 -9.835 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.906 -6.749 -10.548 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.766 -4.579 -9.872 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.535 -4.680 -11.473 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.762 -4.744 -11.332 1.00 0.00 H new ATOM 666 N TYR A 58 9.960 -9.825 -12.413 1.00 0.00 N ATOM 667 CA TYR A 58 8.862 -10.694 -12.027 1.00 0.00 C ATOM 668 C TYR A 58 9.348 -12.128 -11.807 1.00 0.00 C ATOM 669 O TYR A 58 9.042 -12.741 -10.785 1.00 0.00 O ATOM 670 CB TYR A 58 7.878 -10.676 -13.198 1.00 0.00 C ATOM 671 CG TYR A 58 7.019 -9.412 -13.271 1.00 0.00 C ATOM 672 CD1 TYR A 58 6.496 -8.866 -12.116 1.00 0.00 C ATOM 673 CD2 TYR A 58 6.767 -8.818 -14.490 1.00 0.00 C ATOM 674 CE1 TYR A 58 5.688 -7.677 -12.184 1.00 0.00 C ATOM 675 CE2 TYR A 58 5.959 -7.628 -14.558 1.00 0.00 C ATOM 676 CZ TYR A 58 5.459 -7.116 -13.402 1.00 0.00 C ATOM 677 OH TYR A 58 4.696 -5.992 -13.466 1.00 0.00 O ATOM 0 H TYR A 58 9.854 -9.385 -13.327 1.00 0.00 H new ATOM 0 HA TYR A 58 8.411 -10.351 -11.096 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.436 -10.778 -14.129 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.223 -11.544 -13.122 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.693 -9.331 -11.161 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.176 -9.245 -15.394 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.273 -7.240 -11.288 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.755 -7.153 -15.506 1.00 0.00 H new ATOM 0 HH TYR A 58 4.618 -5.702 -14.399 1.00 0.00 H new ATOM 687 N GLN A 59 10.098 -12.621 -12.782 1.00 0.00 N ATOM 688 CA GLN A 59 10.629 -13.971 -12.707 1.00 0.00 C ATOM 689 C GLN A 59 12.137 -13.963 -12.968 1.00 0.00 C ATOM 690 O GLN A 59 12.600 -13.362 -13.937 1.00 0.00 O ATOM 691 CB GLN A 59 9.909 -14.899 -13.687 1.00 0.00 C ATOM 692 CG GLN A 59 8.546 -15.325 -13.137 1.00 0.00 C ATOM 693 CD GLN A 59 8.686 -15.951 -11.748 1.00 0.00 C ATOM 694 OE1 GLN A 59 9.659 -16.617 -11.435 1.00 0.00 O ATOM 695 NE2 GLN A 59 7.663 -15.701 -10.936 1.00 0.00 N ATOM 0 H GLN A 59 10.350 -12.110 -13.628 1.00 0.00 H new ATOM 0 HA GLN A 59 10.455 -14.353 -11.701 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.777 -14.393 -14.643 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.521 -15.781 -13.875 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.885 -14.460 -13.085 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.083 -16.040 -13.817 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.879 -15.135 -11.262 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.662 -16.075 -9.987 1.00 0.00 H new ATOM 856 N LEU A 70 4.694 -13.946 -20.353 1.00 0.00 N ATOM 857 CA LEU A 70 5.137 -12.597 -20.661 1.00 0.00 C ATOM 858 C LEU A 70 3.917 -11.706 -20.901 1.00 0.00 C ATOM 859 O LEU A 70 4.009 -10.483 -20.807 1.00 0.00 O ATOM 860 CB LEU A 70 6.127 -12.612 -21.829 1.00 0.00 C ATOM 861 CG LEU A 70 6.291 -11.293 -22.586 1.00 0.00 C ATOM 862 CD1 LEU A 70 6.636 -10.150 -21.628 1.00 0.00 C ATOM 863 CD2 LEU A 70 7.320 -11.430 -23.709 1.00 0.00 C ATOM 0 HA LEU A 70 5.681 -12.173 -19.817 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.103 -12.913 -21.448 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.811 -13.378 -22.537 1.00 0.00 H new ATOM 0 HG LEU A 70 5.337 -11.046 -23.052 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.747 -9.224 -22.192 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.837 -10.035 -20.896 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.570 -10.376 -21.114 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.417 -10.478 -24.231 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.284 -11.712 -23.286 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.993 -12.197 -24.411 1.00 0.00 H new ATOM 875 N THR A 71 2.802 -12.353 -21.206 1.00 0.00 N ATOM 876 CA THR A 71 1.565 -11.635 -21.460 1.00 0.00 C ATOM 877 C THR A 71 1.124 -10.874 -20.208 1.00 0.00 C ATOM 878 O THR A 71 0.536 -9.798 -20.306 1.00 0.00 O ATOM 879 CB THR A 71 0.526 -12.642 -21.956 1.00 0.00 C ATOM 880 OG1 THR A 71 0.925 -12.921 -23.295 1.00 0.00 O ATOM 881 CG2 THR A 71 -0.866 -12.024 -22.103 1.00 0.00 C ATOM 0 H THR A 71 2.729 -13.368 -21.283 1.00 0.00 H new ATOM 0 HA THR A 71 1.699 -10.878 -22.233 1.00 0.00 H new ATOM 0 HB THR A 71 0.478 -13.484 -21.265 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.306 -13.568 -23.693 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.565 -12.782 -22.458 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.200 -11.646 -21.137 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.826 -11.203 -22.819 1.00 0.00 H new ATOM 889 N GLU A 72 1.425 -11.463 -19.060 1.00 0.00 N ATOM 890 CA GLU A 72 1.067 -10.854 -17.790 1.00 0.00 C ATOM 891 C GLU A 72 1.828 -9.541 -17.598 1.00 0.00 C ATOM 892 O GLU A 72 1.227 -8.509 -17.302 1.00 0.00 O ATOM 893 CB GLU A 72 1.328 -11.815 -16.628 1.00 0.00 C ATOM 894 CG GLU A 72 0.387 -13.020 -16.691 1.00 0.00 C ATOM 895 CD GLU A 72 0.850 -14.126 -15.740 1.00 0.00 C ATOM 896 OE1 GLU A 72 2.007 -14.117 -15.294 1.00 0.00 O ATOM 897 OE2 GLU A 72 -0.042 -15.017 -15.466 1.00 0.00 O ATOM 0 H GLU A 72 1.913 -12.355 -18.983 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.000 -10.634 -17.803 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.363 -12.155 -16.658 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.192 -11.292 -15.681 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.625 -12.710 -16.429 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.349 -13.404 -17.710 1.00 0.00 H new ATOM 905 N ALA A 73 3.138 -9.622 -17.773 1.00 0.00 N ATOM 906 CA ALA A 73 3.988 -8.453 -17.623 1.00 0.00 C ATOM 907 C ALA A 73 3.610 -7.414 -18.680 1.00 0.00 C ATOM 908 O ALA A 73 3.344 -6.258 -18.352 1.00 0.00 O ATOM 909 CB ALA A 73 5.456 -8.873 -17.717 1.00 0.00 C ATOM 0 H ALA A 73 3.633 -10.480 -18.018 1.00 0.00 H new ATOM 0 HA ALA A 73 3.842 -7.996 -16.644 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.093 -7.996 -17.604 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.681 -9.589 -16.926 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.641 -9.334 -18.687 1.00 0.00 H new ATOM 915 N ARG A 74 3.597 -7.862 -19.927 1.00 0.00 N ATOM 916 CA ARG A 74 3.256 -6.985 -21.034 1.00 0.00 C ATOM 917 C ARG A 74 1.895 -6.329 -20.791 1.00 0.00 C ATOM 918 O ARG A 74 1.665 -5.195 -21.210 1.00 0.00 O ATOM 919 CB ARG A 74 3.215 -7.756 -22.355 1.00 0.00 C ATOM 920 CG ARG A 74 1.772 -8.048 -22.773 1.00 0.00 C ATOM 921 CD ARG A 74 1.733 -8.960 -24.001 1.00 0.00 C ATOM 922 NE ARG A 74 0.355 -9.454 -24.221 1.00 0.00 N ATOM 923 CZ ARG A 74 -0.019 -10.198 -25.271 1.00 0.00 C ATOM 924 NH1 ARG A 74 0.880 -10.537 -26.205 1.00 0.00 N ATOM 925 NH2 ARG A 74 -1.291 -10.601 -25.388 1.00 0.00 N ATOM 0 H ARG A 74 3.817 -8.821 -20.195 1.00 0.00 H new ATOM 0 HA ARG A 74 4.027 -6.217 -21.099 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.713 -7.178 -23.133 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.764 -8.692 -22.252 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.238 -8.520 -21.948 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.257 -7.113 -22.993 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.077 -8.415 -24.880 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.412 -9.801 -23.861 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.355 -9.213 -23.529 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.848 -10.229 -26.117 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.596 -11.103 -27.004 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.976 -10.342 -24.678 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.575 -11.167 -26.187 1.00 0.00 H new ATOM 939 N ASP A 75 1.029 -7.069 -20.115 1.00 0.00 N ATOM 940 CA ASP A 75 -0.303 -6.574 -19.812 1.00 0.00 C ATOM 941 C ASP A 75 -0.218 -5.566 -18.664 1.00 0.00 C ATOM 942 O ASP A 75 -1.025 -4.641 -18.585 1.00 0.00 O ATOM 943 CB ASP A 75 -1.228 -7.711 -19.375 1.00 0.00 C ATOM 944 CG ASP A 75 -1.847 -8.517 -20.519 1.00 0.00 C ATOM 945 OD1 ASP A 75 -1.709 -8.161 -21.698 1.00 0.00 O ATOM 946 OD2 ASP A 75 -2.504 -9.565 -20.154 1.00 0.00 O ATOM 0 H ASP A 75 1.224 -8.008 -19.768 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.703 -6.111 -20.714 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.666 -8.391 -18.734 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.032 -7.293 -18.769 1.00 0.00 H new ATOM 952 N ALA A 76 0.767 -5.778 -17.804 1.00 0.00 N ATOM 953 CA ALA A 76 0.967 -4.900 -16.664 1.00 0.00 C ATOM 954 C ALA A 76 1.383 -3.514 -17.161 1.00 0.00 C ATOM 955 O ALA A 76 0.764 -2.512 -16.806 1.00 0.00 O ATOM 956 CB ALA A 76 2.003 -5.515 -15.721 1.00 0.00 C ATOM 0 H ALA A 76 1.435 -6.545 -17.874 1.00 0.00 H new ATOM 0 HA ALA A 76 0.041 -4.785 -16.101 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.153 -4.856 -14.866 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.648 -6.485 -15.374 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.947 -5.642 -16.251 1.00 0.00 H new ATOM 962 N ILE A 77 2.428 -3.501 -17.975 1.00 0.00 N ATOM 963 CA ILE A 77 2.933 -2.254 -18.525 1.00 0.00 C ATOM 964 C ILE A 77 1.940 -1.717 -19.556 1.00 0.00 C ATOM 965 O ILE A 77 1.810 -0.505 -19.727 1.00 0.00 O ATOM 966 CB ILE A 77 4.348 -2.445 -19.075 1.00 0.00 C ATOM 967 CG1 ILE A 77 4.464 -3.763 -19.845 1.00 0.00 C ATOM 968 CG2 ILE A 77 5.390 -2.341 -17.959 1.00 0.00 C ATOM 969 CD1 ILE A 77 5.311 -4.776 -19.073 1.00 0.00 C ATOM 0 H ILE A 77 2.939 -4.334 -18.267 1.00 0.00 H new ATOM 0 HA ILE A 77 3.019 -1.500 -17.743 1.00 0.00 H new ATOM 0 HB ILE A 77 4.551 -1.640 -19.781 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.470 -4.174 -20.021 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.911 -3.579 -20.822 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.387 -2.481 -18.378 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.327 -1.358 -17.493 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.200 -3.110 -17.211 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.377 -5.703 -19.642 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.312 -4.372 -18.920 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.848 -4.976 -18.107 1.00 0.00 H new ATOM 981 N LYS A 78 1.263 -2.644 -20.218 1.00 0.00 N ATOM 982 CA LYS A 78 0.285 -2.278 -21.229 1.00 0.00 C ATOM 983 C LYS A 78 -0.897 -1.576 -20.558 1.00 0.00 C ATOM 984 O LYS A 78 -1.494 -0.669 -21.136 1.00 0.00 O ATOM 985 CB LYS A 78 -0.115 -3.503 -22.054 1.00 0.00 C ATOM 986 CG LYS A 78 -1.275 -3.173 -22.996 1.00 0.00 C ATOM 987 CD LYS A 78 -0.874 -2.093 -24.003 1.00 0.00 C ATOM 988 CE LYS A 78 0.538 -2.339 -24.537 1.00 0.00 C ATOM 989 NZ LYS A 78 0.758 -1.581 -25.789 1.00 0.00 N ATOM 0 H LYS A 78 1.372 -3.648 -20.074 1.00 0.00 H new ATOM 0 HA LYS A 78 0.715 -1.571 -21.938 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.740 -3.852 -22.633 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.402 -4.317 -21.388 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.584 -4.073 -23.527 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.134 -2.834 -22.416 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.583 -2.081 -24.831 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.922 -1.113 -23.529 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.273 -2.040 -23.790 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.684 -3.404 -24.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.721 -1.759 -26.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.068 -1.886 -26.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.639 -0.564 -25.605 1.00 0.00 H new ATOM 1003 N ASP A 79 -1.199 -2.021 -19.347 1.00 0.00 N ATOM 1004 CA ASP A 79 -2.299 -1.446 -18.591 1.00 0.00 C ATOM 1005 C ASP A 79 -1.874 -0.084 -18.038 1.00 0.00 C ATOM 1006 O ASP A 79 -2.588 0.905 -18.197 1.00 0.00 O ATOM 1007 CB ASP A 79 -2.681 -2.339 -17.409 1.00 0.00 C ATOM 1008 CG ASP A 79 -3.471 -1.641 -16.300 1.00 0.00 C ATOM 1009 OD1 ASP A 79 -4.710 -1.598 -16.329 1.00 0.00 O ATOM 1010 OD2 ASP A 79 -2.752 -1.118 -15.365 1.00 0.00 O ATOM 0 H ASP A 79 -0.701 -2.773 -18.871 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.154 -1.349 -19.260 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.270 -3.177 -17.782 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.770 -2.756 -16.979 1.00 0.00 H new ATOM 1016 N ALA A 80 -0.714 -0.077 -17.398 1.00 0.00 N ATOM 1017 CA ALA A 80 -0.186 1.147 -16.820 1.00 0.00 C ATOM 1018 C ALA A 80 -0.026 2.198 -17.920 1.00 0.00 C ATOM 1019 O ALA A 80 -0.463 3.337 -17.763 1.00 0.00 O ATOM 1020 CB ALA A 80 1.133 0.847 -16.104 1.00 0.00 C ATOM 0 H ALA A 80 -0.125 -0.899 -17.267 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.876 1.549 -16.078 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.529 1.765 -15.671 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.960 0.118 -15.313 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.851 0.444 -16.818 1.00 0.00 H new ATOM 1026 N TYR A 81 0.602 1.778 -19.009 1.00 0.00 N ATOM 1027 CA TYR A 81 0.825 2.670 -20.134 1.00 0.00 C ATOM 1028 C TYR A 81 -0.498 3.231 -20.660 1.00 0.00 C ATOM 1029 O TYR A 81 -0.632 4.439 -20.849 1.00 0.00 O ATOM 1030 CB TYR A 81 1.473 1.816 -21.226 1.00 0.00 C ATOM 1031 CG TYR A 81 2.980 1.621 -21.052 1.00 0.00 C ATOM 1032 CD1 TYR A 81 3.500 1.343 -19.804 1.00 0.00 C ATOM 1033 CD2 TYR A 81 3.820 1.724 -22.142 1.00 0.00 C ATOM 1034 CE1 TYR A 81 4.919 1.159 -19.640 1.00 0.00 C ATOM 1035 CE2 TYR A 81 5.239 1.541 -21.978 1.00 0.00 C ATOM 1036 CZ TYR A 81 5.718 1.268 -20.735 1.00 0.00 C ATOM 1037 OH TYR A 81 7.058 1.095 -20.580 1.00 0.00 O ATOM 0 H TYR A 81 0.963 0.833 -19.136 1.00 0.00 H new ATOM 0 HA TYR A 81 1.448 3.514 -19.837 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.990 0.839 -21.243 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.287 2.280 -22.194 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.843 1.263 -18.951 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.413 1.942 -23.118 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.339 0.939 -18.670 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.907 1.619 -22.823 1.00 0.00 H new ATOM 0 HH TYR A 81 7.246 0.153 -20.385 1.00 0.00 H new ATOM 1047 N GLU A 82 -1.441 2.327 -20.882 1.00 0.00 N ATOM 1048 CA GLU A 82 -2.748 2.717 -21.382 1.00 0.00 C ATOM 1049 C GLU A 82 -3.526 3.472 -20.302 1.00 0.00 C ATOM 1050 O GLU A 82 -4.424 4.253 -20.611 1.00 0.00 O ATOM 1051 CB GLU A 82 -3.533 1.498 -21.872 1.00 0.00 C ATOM 1052 CG GLU A 82 -4.812 1.925 -22.595 1.00 0.00 C ATOM 1053 CD GLU A 82 -5.851 0.801 -22.581 1.00 0.00 C ATOM 1054 OE1 GLU A 82 -6.325 0.408 -21.505 1.00 0.00 O ATOM 1055 OE2 GLU A 82 -6.164 0.334 -23.742 1.00 0.00 O ATOM 0 H GLU A 82 -1.326 1.326 -20.725 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.606 3.383 -22.233 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.911 0.906 -22.544 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.785 0.859 -21.026 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.225 2.813 -22.117 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.579 2.197 -23.624 1.00 0.00 H new ATOM 1063 N SER A 83 -3.152 3.213 -19.058 1.00 0.00 N ATOM 1064 CA SER A 83 -3.803 3.859 -17.931 1.00 0.00 C ATOM 1065 C SER A 83 -3.388 5.330 -17.860 1.00 0.00 C ATOM 1066 O SER A 83 -4.234 6.211 -17.714 1.00 0.00 O ATOM 1067 CB SER A 83 -3.466 3.149 -16.619 1.00 0.00 C ATOM 1068 OG SER A 83 -4.093 3.768 -15.499 1.00 0.00 O ATOM 0 H SER A 83 -2.406 2.565 -18.805 1.00 0.00 H new ATOM 0 HA SER A 83 -4.881 3.799 -18.079 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.780 2.107 -16.680 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.386 3.148 -16.475 1.00 0.00 H new ATOM 0 HG SER A 83 -3.854 3.284 -14.681 1.00 0.00 H new ATOM 1074 N TYR A 84 -2.086 5.551 -17.966 1.00 0.00 N ATOM 1075 CA TYR A 84 -1.549 6.900 -17.916 1.00 0.00 C ATOM 1076 C TYR A 84 -1.349 7.463 -19.324 1.00 0.00 C ATOM 1077 O TYR A 84 -0.930 8.608 -19.485 1.00 0.00 O ATOM 1078 CB TYR A 84 -0.187 6.786 -17.227 1.00 0.00 C ATOM 1079 CG TYR A 84 -0.271 6.491 -15.728 1.00 0.00 C ATOM 1080 CD1 TYR A 84 -0.689 7.474 -14.854 1.00 0.00 C ATOM 1081 CD2 TYR A 84 0.072 5.243 -15.250 1.00 0.00 C ATOM 1082 CE1 TYR A 84 -0.768 7.197 -13.443 1.00 0.00 C ATOM 1083 CE2 TYR A 84 -0.006 4.966 -13.840 1.00 0.00 C ATOM 1084 CZ TYR A 84 -0.423 5.956 -13.006 1.00 0.00 C ATOM 1085 OH TYR A 84 -0.497 5.694 -11.673 1.00 0.00 O ATOM 0 H TYR A 84 -1.387 4.818 -18.086 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.231 7.565 -17.387 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.388 5.997 -17.711 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.362 7.716 -17.374 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.957 8.451 -15.228 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.399 4.474 -15.934 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.094 7.957 -12.748 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.261 3.994 -13.453 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.222 4.768 -11.506 1.00 0.00 H new ATOM 1095 N CYS A 85 -1.658 6.632 -20.309 1.00 0.00 N ATOM 1096 CA CYS A 85 -1.518 7.033 -21.698 1.00 0.00 C ATOM 1097 C CYS A 85 -2.091 8.443 -21.852 1.00 0.00 C ATOM 1098 O CYS A 85 -3.251 8.686 -21.520 1.00 0.00 O ATOM 1099 CB CYS A 85 -2.192 6.038 -22.645 1.00 0.00 C ATOM 1100 SG CYS A 85 -2.751 6.896 -24.161 1.00 0.00 S ATOM 0 H CYS A 85 -2.005 5.683 -20.172 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.463 7.038 -21.972 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.495 5.241 -22.904 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.042 5.569 -22.148 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.320 6.041 -24.959 1.00 0.00 H new ATOM 1106 N GLY A 86 -1.252 9.337 -22.354 1.00 0.00 N ATOM 1107 CA GLY A 86 -1.661 10.717 -22.555 1.00 0.00 C ATOM 1108 C GLY A 86 -1.024 11.636 -21.511 1.00 0.00 C ATOM 1109 O GLY A 86 -1.107 12.858 -21.620 1.00 0.00 O ATOM 0 H GLY A 86 -0.291 9.133 -22.628 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.374 11.043 -23.555 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.747 10.790 -22.495 1.00 0.00 H new ATOM 1113 N ILE A 87 -0.401 11.011 -20.522 1.00 0.00 N ATOM 1114 CA ILE A 87 0.250 11.757 -19.459 1.00 0.00 C ATOM 1115 C ILE A 87 1.756 11.492 -19.504 1.00 0.00 C ATOM 1116 O ILE A 87 2.226 10.470 -19.006 1.00 0.00 O ATOM 1117 CB ILE A 87 -0.391 11.434 -18.107 1.00 0.00 C ATOM 1118 CG1 ILE A 87 -1.906 11.638 -18.156 1.00 0.00 C ATOM 1119 CG2 ILE A 87 0.261 12.243 -16.984 1.00 0.00 C ATOM 1120 CD1 ILE A 87 -2.625 10.329 -18.488 1.00 0.00 C ATOM 0 H ILE A 87 -0.334 9.997 -20.435 1.00 0.00 H new ATOM 0 HA ILE A 87 0.110 12.828 -19.605 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.215 10.381 -17.888 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.257 12.016 -17.196 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.151 12.392 -18.904 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.213 11.995 -16.034 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.323 12.004 -16.933 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.138 13.307 -17.184 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.701 10.502 -18.517 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.290 9.966 -19.460 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.397 9.585 -17.725 1.00 0.00 H new ATOM 1132 N ASP A 88 2.472 12.431 -20.106 1.00 0.00 N ATOM 1133 CA ASP A 88 3.915 12.312 -20.223 1.00 0.00 C ATOM 1134 C ASP A 88 4.583 13.361 -19.332 1.00 0.00 C ATOM 1135 O ASP A 88 5.700 13.158 -18.857 1.00 0.00 O ATOM 1136 CB ASP A 88 4.373 12.553 -21.662 1.00 0.00 C ATOM 1137 CG ASP A 88 3.400 12.072 -22.740 1.00 0.00 C ATOM 1138 OD1 ASP A 88 2.719 11.048 -22.575 1.00 0.00 O ATOM 1139 OD2 ASP A 88 3.354 12.805 -23.800 1.00 0.00 O ATOM 0 H ASP A 88 2.079 13.277 -20.518 1.00 0.00 H new ATOM 0 HA ASP A 88 4.195 11.303 -19.920 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.544 13.621 -21.799 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.331 12.055 -21.810 1.00 0.00 H new ATOM 1145 N ASP A 89 3.872 14.460 -19.131 1.00 0.00 N ATOM 1146 CA ASP A 89 4.381 15.542 -18.305 1.00 0.00 C ATOM 1147 C ASP A 89 3.212 16.396 -17.813 1.00 0.00 C ATOM 1148 O ASP A 89 2.189 16.502 -18.487 1.00 0.00 O ATOM 1149 CB ASP A 89 5.325 16.445 -19.102 1.00 0.00 C ATOM 1150 CG ASP A 89 4.639 17.355 -20.124 1.00 0.00 C ATOM 1151 OD1 ASP A 89 4.457 16.981 -21.292 1.00 0.00 O ATOM 1152 OD2 ASP A 89 4.281 18.509 -19.672 1.00 0.00 O ATOM 0 H ASP A 89 2.946 14.625 -19.526 1.00 0.00 H new ATOM 0 HA ASP A 89 4.924 15.102 -17.469 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.886 17.066 -18.403 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.049 15.819 -19.623 1.00 0.00 H new