USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 840 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 33 ASN : amide:sc= 0 X(o=-1.1,f=-1.4) USER MOD Set 1.2: A 66 ASN :FLIP amide:sc= -0.461 F(o=-4.5!,f=-1.1) USER MOD Set 1.3: A 67 ASN : amide:sc= -0.671 K(o=-1.1,f=-3.3!) USER MOD Set 2.1: A 50 SER OG : rot 140:sc= -0.557! USER MOD Set 2.2: A 51 THR OG1 : rot 151:sc= -0.859! USER MOD Single : A 18 GLN : amide:sc=-0.00897 K(o=-0.009,f=-1.1) USER MOD Single : A 23 TYR OH : rot 110:sc= -0.384 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.014) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.355 X(o=-0.36,f=-0.46) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 37:sc= 0.0748 USER MOD Single : A 60 THR OG1 : rot 120:sc= -0.595 USER MOD Single : A 63 LYS NZ :NH3+ 144:sc= -0.144 (180deg=-1.01) USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= -0.0191 (180deg=-0.398) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -9.64! C(o=-9.6!,f=-12!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 6:sc= 0.607 USER MOD Single : A 88 ASN : amide:sc= -3.94! C(o=-3.9!,f=-4!) USER MOD Single : A 89 SER OG : rot 180:sc= 0.00794 USER MOD Single : A 95 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot -13:sc= -0.772 USER MOD Single : A 104 GLN : amide:sc= -0.462 K(o=-0.46,f=-1.6!) USER MOD Single : A 105 TYR OH : rot 130:sc= -0.127 USER MOD Single : A 106 ASN : amide:sc= -0.898 X(o=-0.9,f=-1.2) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 150:sc= -0.225 (180deg=-1.12) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 128:sc= 0.479 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.896 -9.508 -14.739 1.00 0.00 N ATOM 2 CA LEU A 17 2.676 -8.653 -13.814 1.00 0.00 C ATOM 3 C LEU A 17 4.105 -9.170 -13.721 1.00 0.00 C ATOM 4 O LEU A 17 4.577 -9.532 -12.661 1.00 0.00 O ATOM 5 CB LEU A 17 2.033 -8.688 -12.413 1.00 0.00 C ATOM 6 CG LEU A 17 2.332 -7.380 -11.659 1.00 0.00 C ATOM 7 CD1 LEU A 17 1.414 -7.287 -10.447 1.00 0.00 C ATOM 8 CD2 LEU A 17 3.791 -7.371 -11.186 1.00 0.00 C ATOM 0 HA LEU A 17 2.681 -7.630 -14.190 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.956 -8.827 -12.503 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.418 -9.538 -11.849 1.00 0.00 H new ATOM 0 HG LEU A 17 2.165 -6.533 -12.324 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.618 -6.363 -9.906 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.375 -7.292 -10.776 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.591 -8.139 -9.790 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.995 -6.442 -10.653 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.963 -8.217 -10.520 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.453 -7.448 -12.048 1.00 0.00 H new ATOM 22 N GLN A 18 4.770 -9.187 -14.833 1.00 0.00 N ATOM 23 CA GLN A 18 6.166 -9.675 -14.829 1.00 0.00 C ATOM 24 C GLN A 18 7.079 -8.628 -14.230 1.00 0.00 C ATOM 25 O GLN A 18 8.210 -8.906 -13.883 1.00 0.00 O ATOM 26 CB GLN A 18 6.597 -9.952 -16.279 1.00 0.00 C ATOM 27 CG GLN A 18 6.318 -8.715 -17.139 1.00 0.00 C ATOM 28 CD GLN A 18 6.869 -8.944 -18.549 1.00 0.00 C ATOM 29 OE1 GLN A 18 7.861 -9.621 -18.738 1.00 0.00 O ATOM 30 NE2 GLN A 18 6.257 -8.397 -19.564 1.00 0.00 N ATOM 0 H GLN A 18 4.410 -8.886 -15.739 1.00 0.00 H new ATOM 0 HA GLN A 18 6.231 -10.586 -14.234 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.658 -10.200 -16.313 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.055 -10.812 -16.673 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.246 -8.522 -17.182 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.783 -7.836 -16.693 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.424 -7.828 -19.411 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.611 -8.539 -20.510 1.00 0.00 H new ATOM 39 N ASP A 19 6.566 -7.438 -14.118 1.00 0.00 N ATOM 40 CA ASP A 19 7.373 -6.353 -13.548 1.00 0.00 C ATOM 41 C ASP A 19 6.517 -5.135 -13.265 1.00 0.00 C ATOM 42 O ASP A 19 6.856 -4.308 -12.442 1.00 0.00 O ATOM 43 CB ASP A 19 8.429 -5.971 -14.568 1.00 0.00 C ATOM 44 CG ASP A 19 9.812 -6.012 -13.916 1.00 0.00 C ATOM 45 OD1 ASP A 19 10.169 -4.997 -13.340 1.00 0.00 O ATOM 46 OD2 ASP A 19 10.433 -7.055 -14.030 1.00 0.00 O ATOM 0 H ASP A 19 5.621 -7.179 -14.400 1.00 0.00 H new ATOM 0 HA ASP A 19 7.821 -6.691 -12.613 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.395 -6.656 -15.415 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.229 -4.973 -14.957 1.00 0.00 H new ATOM 51 N ALA A 20 5.418 -5.049 -13.954 1.00 0.00 N ATOM 52 CA ALA A 20 4.507 -3.885 -13.748 1.00 0.00 C ATOM 53 C ALA A 20 5.282 -2.566 -13.850 1.00 0.00 C ATOM 54 O ALA A 20 6.489 -2.567 -13.987 1.00 0.00 O ATOM 55 CB ALA A 20 3.896 -3.988 -12.344 1.00 0.00 C ATOM 0 H ALA A 20 5.108 -5.729 -14.649 1.00 0.00 H new ATOM 0 HA ALA A 20 3.732 -3.899 -14.515 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.227 -3.144 -12.176 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.335 -4.919 -12.259 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.692 -3.974 -11.599 1.00 0.00 H new ATOM 61 N GLU A 21 4.567 -1.460 -13.780 1.00 0.00 N ATOM 62 CA GLU A 21 5.244 -0.134 -13.868 1.00 0.00 C ATOM 63 C GLU A 21 5.251 0.547 -12.507 1.00 0.00 C ATOM 64 O GLU A 21 6.292 0.744 -11.912 1.00 0.00 O ATOM 65 CB GLU A 21 4.457 0.747 -14.850 1.00 0.00 C ATOM 66 CG GLU A 21 4.466 0.090 -16.232 1.00 0.00 C ATOM 67 CD GLU A 21 3.916 1.079 -17.261 1.00 0.00 C ATOM 68 OE1 GLU A 21 4.355 2.216 -17.208 1.00 0.00 O ATOM 69 OE2 GLU A 21 3.086 0.642 -18.042 1.00 0.00 O ATOM 0 H GLU A 21 3.554 -1.426 -13.667 1.00 0.00 H new ATOM 0 HA GLU A 21 6.271 -0.275 -14.204 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.432 0.875 -14.502 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.902 1.741 -14.903 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.480 -0.207 -16.500 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.861 -0.817 -16.221 1.00 0.00 H new ATOM 76 N TRP A 22 4.084 0.900 -12.044 1.00 0.00 N ATOM 77 CA TRP A 22 3.989 1.571 -10.720 1.00 0.00 C ATOM 78 C TRP A 22 4.881 0.868 -9.714 1.00 0.00 C ATOM 79 O TRP A 22 5.460 1.486 -8.843 1.00 0.00 O ATOM 80 CB TRP A 22 2.535 1.494 -10.247 1.00 0.00 C ATOM 81 CG TRP A 22 1.666 1.018 -11.421 1.00 0.00 C ATOM 82 CD1 TRP A 22 1.203 1.823 -12.357 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.358 -0.235 -11.682 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.595 0.998 -13.223 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.649 -0.333 -12.867 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.638 -1.384 -10.964 1.00 0.00 C ATOM 87 CZ2 TRP A 22 0.234 -1.564 -13.321 1.00 0.00 C ATOM 88 CZ3 TRP A 22 1.219 -2.603 -11.421 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.520 -2.696 -12.597 1.00 0.00 C ATOM 0 H TRP A 22 3.196 0.753 -12.524 1.00 0.00 H new ATOM 0 HA TRP A 22 4.310 2.609 -10.808 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.446 0.806 -9.406 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.198 2.470 -9.897 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.292 2.898 -12.414 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.133 1.327 -14.071 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.190 -1.318 -10.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.317 -1.640 -14.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.439 -3.495 -10.854 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.194 -3.661 -12.955 1.00 0.00 H new ATOM 100 N TYR A 23 4.970 -0.416 -9.861 1.00 0.00 N ATOM 101 CA TYR A 23 5.814 -1.213 -8.940 1.00 0.00 C ATOM 102 C TYR A 23 7.218 -1.322 -9.511 1.00 0.00 C ATOM 103 O TYR A 23 7.397 -1.641 -10.668 1.00 0.00 O ATOM 104 CB TYR A 23 5.212 -2.629 -8.827 1.00 0.00 C ATOM 105 CG TYR A 23 3.737 -2.596 -8.316 1.00 0.00 C ATOM 106 CD1 TYR A 23 3.165 -1.464 -7.709 1.00 0.00 C ATOM 107 CD2 TYR A 23 2.955 -3.725 -8.461 1.00 0.00 C ATOM 108 CE1 TYR A 23 1.854 -1.496 -7.275 1.00 0.00 C ATOM 109 CE2 TYR A 23 1.648 -3.742 -8.021 1.00 0.00 C ATOM 110 CZ TYR A 23 1.090 -2.632 -7.426 1.00 0.00 C ATOM 111 OH TYR A 23 -0.214 -2.661 -6.982 1.00 0.00 O ATOM 0 H TYR A 23 4.491 -0.953 -10.584 1.00 0.00 H new ATOM 0 HA TYR A 23 5.852 -0.735 -7.961 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.248 -3.117 -9.801 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.818 -3.228 -8.147 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.752 -0.567 -7.582 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.372 -4.606 -8.925 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.423 -0.620 -6.812 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.055 -4.636 -8.144 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.821 -2.681 -7.751 1.00 0.00 H new ATOM 121 N TRP A 24 8.196 -1.058 -8.688 1.00 0.00 N ATOM 122 CA TRP A 24 9.592 -1.141 -9.178 1.00 0.00 C ATOM 123 C TRP A 24 10.128 -2.544 -8.993 1.00 0.00 C ATOM 124 O TRP A 24 11.115 -2.923 -9.594 1.00 0.00 O ATOM 125 CB TRP A 24 10.482 -0.192 -8.345 1.00 0.00 C ATOM 126 CG TRP A 24 9.971 1.267 -8.387 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.771 1.669 -8.820 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.653 2.279 -7.923 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.775 2.987 -8.571 1.00 0.00 N ATOM 130 CE2 TRP A 24 9.938 3.453 -8.005 1.00 0.00 C ATOM 131 CE3 TRP A 24 11.935 2.290 -7.412 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.494 4.632 -7.578 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.496 3.474 -6.985 1.00 0.00 C ATOM 134 CH2 TRP A 24 11.774 4.647 -7.067 1.00 0.00 C ATOM 0 H TRP A 24 8.087 -0.792 -7.709 1.00 0.00 H new ATOM 0 HA TRP A 24 9.605 -0.868 -10.233 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.511 -0.536 -7.311 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.504 -0.229 -8.722 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.986 1.074 -9.264 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.982 3.592 -8.784 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.498 1.371 -7.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 9.928 5.550 -7.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 13.500 3.484 -6.587 1.00 0.00 H new ATOM 0 HH2 TRP A 24 12.211 5.576 -6.731 1.00 0.00 H new ATOM 145 N GLY A 25 9.461 -3.287 -8.158 1.00 0.00 N ATOM 146 CA GLY A 25 9.894 -4.686 -7.890 1.00 0.00 C ATOM 147 C GLY A 25 10.246 -4.829 -6.419 1.00 0.00 C ATOM 148 O GLY A 25 11.328 -5.251 -6.066 1.00 0.00 O ATOM 0 H GLY A 25 8.631 -2.985 -7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.098 -5.382 -8.155 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.756 -4.937 -8.508 1.00 0.00 H new ATOM 152 N ASP A 26 9.307 -4.473 -5.594 1.00 0.00 N ATOM 153 CA ASP A 26 9.519 -4.562 -4.137 1.00 0.00 C ATOM 154 C ASP A 26 10.792 -3.843 -3.708 1.00 0.00 C ATOM 155 O ASP A 26 11.885 -4.293 -3.993 1.00 0.00 O ATOM 156 CB ASP A 26 9.637 -6.035 -3.770 1.00 0.00 C ATOM 157 CG ASP A 26 9.013 -6.890 -4.878 1.00 0.00 C ATOM 158 OD1 ASP A 26 7.939 -6.511 -5.314 1.00 0.00 O ATOM 159 OD2 ASP A 26 9.646 -7.875 -5.223 1.00 0.00 O ATOM 0 H ASP A 26 8.392 -4.120 -5.876 1.00 0.00 H new ATOM 0 HA ASP A 26 8.679 -4.087 -3.629 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.685 -6.304 -3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.134 -6.226 -2.822 1.00 0.00 H new ATOM 164 N ILE A 27 10.623 -2.731 -3.021 1.00 0.00 N ATOM 165 CA ILE A 27 11.814 -1.962 -2.559 1.00 0.00 C ATOM 166 C ILE A 27 11.704 -1.626 -1.066 1.00 0.00 C ATOM 167 O ILE A 27 11.254 -2.436 -0.281 1.00 0.00 O ATOM 168 CB ILE A 27 11.937 -0.658 -3.382 1.00 0.00 C ATOM 169 CG1 ILE A 27 10.697 0.278 -3.190 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.096 -1.032 -4.876 1.00 0.00 C ATOM 171 CD1 ILE A 27 9.564 -0.052 -4.183 1.00 0.00 C ATOM 0 H ILE A 27 9.719 -2.332 -2.766 1.00 0.00 H new ATOM 0 HA ILE A 27 12.703 -2.576 -2.706 1.00 0.00 H new ATOM 0 HB ILE A 27 12.809 -0.106 -3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.325 0.182 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.003 1.316 -3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.184 -0.123 -5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.992 -1.639 -5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.224 -1.598 -5.204 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.724 0.622 -4.014 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.927 0.070 -5.203 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.239 -1.082 -4.035 1.00 0.00 H new ATOM 183 N SER A 28 12.112 -0.435 -0.701 1.00 0.00 N ATOM 184 CA SER A 28 12.034 -0.046 0.729 1.00 0.00 C ATOM 185 C SER A 28 11.756 1.449 0.880 1.00 0.00 C ATOM 186 O SER A 28 11.888 2.205 -0.061 1.00 0.00 O ATOM 187 CB SER A 28 13.384 -0.363 1.385 1.00 0.00 C ATOM 188 OG SER A 28 13.094 -1.427 2.279 1.00 0.00 O ATOM 0 H SER A 28 12.491 0.274 -1.329 1.00 0.00 H new ATOM 0 HA SER A 28 11.222 -0.598 1.202 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.128 -0.656 0.644 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.784 0.503 1.913 1.00 0.00 H new ATOM 0 HG SER A 28 13.913 -1.696 2.745 1.00 0.00 H new ATOM 194 N ARG A 29 11.373 1.845 2.069 1.00 0.00 N ATOM 195 CA ARG A 29 11.082 3.282 2.305 1.00 0.00 C ATOM 196 C ARG A 29 12.160 4.159 1.716 1.00 0.00 C ATOM 197 O ARG A 29 11.914 5.280 1.330 1.00 0.00 O ATOM 198 CB ARG A 29 11.035 3.521 3.809 1.00 0.00 C ATOM 199 CG ARG A 29 10.810 2.192 4.525 1.00 0.00 C ATOM 200 CD ARG A 29 10.419 2.472 5.961 1.00 0.00 C ATOM 201 NE ARG A 29 10.469 1.203 6.735 1.00 0.00 N ATOM 202 CZ ARG A 29 11.231 1.130 7.790 1.00 0.00 C ATOM 203 NH1 ARG A 29 10.770 1.563 8.931 1.00 0.00 N ATOM 204 NH2 ARG A 29 12.429 0.628 7.667 1.00 0.00 N ATOM 0 H ARG A 29 11.252 1.236 2.878 1.00 0.00 H new ATOM 0 HA ARG A 29 10.132 3.530 1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.967 3.975 4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.234 4.219 4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.027 1.622 4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.716 1.587 4.492 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.095 3.206 6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.417 2.898 6.002 1.00 0.00 H new ATOM 0 HE ARG A 29 9.913 0.399 6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.828 1.950 8.987 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.351 1.514 9.768 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.754 0.301 6.757 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.040 0.562 8.481 1.00 0.00 H new ATOM 218 N GLU A 30 13.338 3.634 1.652 1.00 0.00 N ATOM 219 CA GLU A 30 14.451 4.426 1.090 1.00 0.00 C ATOM 220 C GLU A 30 14.159 4.832 -0.344 1.00 0.00 C ATOM 221 O GLU A 30 14.138 5.999 -0.666 1.00 0.00 O ATOM 222 CB GLU A 30 15.720 3.567 1.124 1.00 0.00 C ATOM 223 CG GLU A 30 15.966 3.117 2.563 1.00 0.00 C ATOM 224 CD GLU A 30 17.438 2.736 2.735 1.00 0.00 C ATOM 225 OE1 GLU A 30 18.244 3.650 2.665 1.00 0.00 O ATOM 226 OE2 GLU A 30 17.673 1.555 2.926 1.00 0.00 O ATOM 0 H GLU A 30 13.580 2.693 1.963 1.00 0.00 H new ATOM 0 HA GLU A 30 14.580 5.332 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.608 2.701 0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.573 4.137 0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.703 3.917 3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.329 2.266 2.803 1.00 0.00 H new ATOM 233 N GLU A 31 13.934 3.863 -1.184 1.00 0.00 N ATOM 234 CA GLU A 31 13.644 4.187 -2.595 1.00 0.00 C ATOM 235 C GLU A 31 12.282 4.847 -2.715 1.00 0.00 C ATOM 236 O GLU A 31 12.158 5.923 -3.266 1.00 0.00 O ATOM 237 CB GLU A 31 13.637 2.883 -3.379 1.00 0.00 C ATOM 238 CG GLU A 31 15.075 2.404 -3.558 1.00 0.00 C ATOM 239 CD GLU A 31 15.637 2.959 -4.869 1.00 0.00 C ATOM 240 OE1 GLU A 31 15.542 4.165 -5.031 1.00 0.00 O ATOM 241 OE2 GLU A 31 16.130 2.146 -5.633 1.00 0.00 O ATOM 0 H GLU A 31 13.939 2.870 -0.952 1.00 0.00 H new ATOM 0 HA GLU A 31 14.398 4.873 -2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.052 2.130 -2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.165 3.030 -4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.687 2.734 -2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.108 1.315 -3.568 1.00 0.00 H new ATOM 248 N VAL A 32 11.277 4.186 -2.202 1.00 0.00 N ATOM 249 CA VAL A 32 9.907 4.766 -2.276 1.00 0.00 C ATOM 250 C VAL A 32 9.950 6.249 -1.913 1.00 0.00 C ATOM 251 O VAL A 32 9.737 7.107 -2.746 1.00 0.00 O ATOM 252 CB VAL A 32 9.017 4.043 -1.241 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.751 4.886 -0.986 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.631 2.646 -1.771 1.00 0.00 C ATOM 0 H VAL A 32 11.346 3.279 -1.740 1.00 0.00 H new ATOM 0 HA VAL A 32 9.515 4.646 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 32 9.563 3.922 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.118 4.381 -0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.037 5.865 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.201 5.009 -1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.003 2.139 -1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.083 2.751 -2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.534 2.060 -1.943 1.00 0.00 H new ATOM 264 N ASN A 33 10.229 6.510 -0.663 1.00 0.00 N ATOM 265 CA ASN A 33 10.299 7.921 -0.192 1.00 0.00 C ATOM 266 C ASN A 33 11.154 8.783 -1.111 1.00 0.00 C ATOM 267 O ASN A 33 10.687 9.769 -1.654 1.00 0.00 O ATOM 268 CB ASN A 33 10.946 7.920 1.200 1.00 0.00 C ATOM 269 CG ASN A 33 10.664 9.256 1.891 1.00 0.00 C ATOM 270 OD1 ASN A 33 9.527 9.656 2.052 1.00 0.00 O ATOM 271 ND2 ASN A 33 11.667 9.976 2.311 1.00 0.00 N ATOM 0 H ASN A 33 10.411 5.805 0.051 1.00 0.00 H new ATOM 0 HA ASN A 33 9.290 8.333 -0.178 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.550 7.098 1.797 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.021 7.762 1.114 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.496 10.870 2.772 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.623 9.645 2.179 1.00 0.00 H new ATOM 278 N GLU A 34 12.398 8.398 -1.251 1.00 0.00 N ATOM 279 CA GLU A 34 13.332 9.170 -2.128 1.00 0.00 C ATOM 280 C GLU A 34 12.632 9.755 -3.338 1.00 0.00 C ATOM 281 O GLU A 34 12.911 10.866 -3.742 1.00 0.00 O ATOM 282 CB GLU A 34 14.435 8.222 -2.615 1.00 0.00 C ATOM 283 CG GLU A 34 15.610 8.277 -1.637 1.00 0.00 C ATOM 284 CD GLU A 34 16.655 7.236 -2.041 1.00 0.00 C ATOM 285 OE1 GLU A 34 17.409 7.549 -2.948 1.00 0.00 O ATOM 286 OE2 GLU A 34 16.642 6.185 -1.422 1.00 0.00 O ATOM 0 H GLU A 34 12.808 7.582 -0.796 1.00 0.00 H new ATOM 0 HA GLU A 34 13.737 9.996 -1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.052 7.204 -2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.763 8.509 -3.614 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.053 9.273 -1.639 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.262 8.085 -0.622 1.00 0.00 H new ATOM 293 N LYS A 35 11.736 9.008 -3.894 1.00 0.00 N ATOM 294 CA LYS A 35 11.014 9.520 -5.079 1.00 0.00 C ATOM 295 C LYS A 35 9.790 10.305 -4.668 1.00 0.00 C ATOM 296 O LYS A 35 9.488 11.338 -5.233 1.00 0.00 O ATOM 297 CB LYS A 35 10.584 8.341 -5.930 1.00 0.00 C ATOM 298 CG LYS A 35 11.253 8.462 -7.300 1.00 0.00 C ATOM 299 CD LYS A 35 10.748 9.726 -8.019 1.00 0.00 C ATOM 300 CE LYS A 35 10.521 9.399 -9.499 1.00 0.00 C ATOM 301 NZ LYS A 35 10.275 10.644 -10.282 1.00 0.00 N ATOM 0 H LYS A 35 11.472 8.073 -3.585 1.00 0.00 H new ATOM 0 HA LYS A 35 11.676 10.181 -5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.869 7.404 -5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.499 8.327 -6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.336 8.508 -7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.034 7.579 -7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.821 10.074 -7.563 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.474 10.532 -7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.391 8.878 -9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.671 8.725 -9.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.124 10.401 -11.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.431 11.126 -9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.098 11.274 -10.200 1.00 0.00 H new ATOM 315 N LEU A 36 9.110 9.801 -3.698 1.00 0.00 N ATOM 316 CA LEU A 36 7.891 10.495 -3.222 1.00 0.00 C ATOM 317 C LEU A 36 8.262 11.683 -2.342 1.00 0.00 C ATOM 318 O LEU A 36 7.434 12.212 -1.627 1.00 0.00 O ATOM 319 CB LEU A 36 7.060 9.504 -2.392 1.00 0.00 C ATOM 320 CG LEU A 36 6.101 8.762 -3.323 1.00 0.00 C ATOM 321 CD1 LEU A 36 6.903 8.001 -4.371 1.00 0.00 C ATOM 322 CD2 LEU A 36 5.267 7.765 -2.508 1.00 0.00 C ATOM 0 H LEU A 36 9.341 8.936 -3.208 1.00 0.00 H new ATOM 0 HA LEU A 36 7.324 10.855 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.715 8.796 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.502 10.034 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 36 5.442 9.479 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.222 7.471 -5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.503 8.703 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.559 7.284 -3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.583 7.235 -3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.929 7.048 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.696 8.302 -1.751 1.00 0.00 H new ATOM 334 N ARG A 37 9.506 12.079 -2.413 1.00 0.00 N ATOM 335 CA ARG A 37 9.956 13.230 -1.589 1.00 0.00 C ATOM 336 C ARG A 37 8.933 14.357 -1.601 1.00 0.00 C ATOM 337 O ARG A 37 8.622 14.924 -0.573 1.00 0.00 O ATOM 338 CB ARG A 37 11.302 13.756 -2.146 1.00 0.00 C ATOM 339 CG ARG A 37 11.186 14.037 -3.653 1.00 0.00 C ATOM 340 CD ARG A 37 11.166 15.549 -3.876 1.00 0.00 C ATOM 341 NE ARG A 37 11.045 15.822 -5.335 1.00 0.00 N ATOM 342 CZ ARG A 37 11.824 16.711 -5.886 1.00 0.00 C ATOM 343 NH1 ARG A 37 13.116 16.541 -5.827 1.00 0.00 N ATOM 344 NH2 ARG A 37 11.284 17.742 -6.478 1.00 0.00 N ATOM 0 H ARG A 37 10.223 11.656 -3.003 1.00 0.00 H new ATOM 0 HA ARG A 37 10.074 12.890 -0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.589 14.667 -1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.089 13.023 -1.966 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.025 13.589 -4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.278 13.585 -4.052 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.331 15.998 -3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.077 16.000 -3.483 1.00 0.00 H new ATOM 0 HE ARG A 37 10.359 15.319 -5.898 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.502 15.723 -5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.740 17.226 -6.252 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.269 17.842 -6.504 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.877 18.448 -6.915 1.00 0.00 H new ATOM 358 N ASP A 38 8.424 14.656 -2.758 1.00 0.00 N ATOM 359 CA ASP A 38 7.414 15.749 -2.864 1.00 0.00 C ATOM 360 C ASP A 38 6.895 15.866 -4.291 1.00 0.00 C ATOM 361 O ASP A 38 6.303 16.861 -4.658 1.00 0.00 O ATOM 362 CB ASP A 38 8.082 17.086 -2.492 1.00 0.00 C ATOM 363 CG ASP A 38 7.028 18.032 -1.914 1.00 0.00 C ATOM 364 OD1 ASP A 38 6.104 18.329 -2.654 1.00 0.00 O ATOM 365 OD2 ASP A 38 7.206 18.405 -0.767 1.00 0.00 O ATOM 0 H ASP A 38 8.660 14.194 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 38 6.586 15.521 -2.193 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.876 16.919 -1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.545 17.532 -3.372 1.00 0.00 H new ATOM 370 N THR A 39 7.126 14.850 -5.073 1.00 0.00 N ATOM 371 CA THR A 39 6.652 14.894 -6.477 1.00 0.00 C ATOM 372 C THR A 39 5.201 14.439 -6.592 1.00 0.00 C ATOM 373 O THR A 39 4.826 13.404 -6.079 1.00 0.00 O ATOM 374 CB THR A 39 7.531 13.953 -7.310 1.00 0.00 C ATOM 375 OG1 THR A 39 7.209 14.237 -8.654 1.00 0.00 O ATOM 376 CG2 THR A 39 7.110 12.489 -7.112 1.00 0.00 C ATOM 0 H THR A 39 7.618 13.999 -4.801 1.00 0.00 H new ATOM 0 HA THR A 39 6.716 15.921 -6.835 1.00 0.00 H new ATOM 0 HB THR A 39 8.578 14.087 -7.037 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.742 13.666 -9.246 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.749 11.842 -7.713 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.210 12.221 -6.060 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.072 12.364 -7.422 1.00 0.00 H new ATOM 384 N ALA A 40 4.408 15.233 -7.264 1.00 0.00 N ATOM 385 CA ALA A 40 2.976 14.876 -7.433 1.00 0.00 C ATOM 386 C ALA A 40 2.259 14.775 -6.090 1.00 0.00 C ATOM 387 O ALA A 40 2.824 14.327 -5.111 1.00 0.00 O ATOM 388 CB ALA A 40 2.900 13.511 -8.133 1.00 0.00 C ATOM 0 H ALA A 40 4.693 16.110 -7.700 1.00 0.00 H new ATOM 0 HA ALA A 40 2.491 15.656 -8.020 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.856 13.229 -8.267 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.387 13.573 -9.106 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.403 12.761 -7.523 1.00 0.00 H new ATOM 394 N ASP A 41 1.016 15.195 -6.074 1.00 0.00 N ATOM 395 CA ASP A 41 0.228 15.138 -4.814 1.00 0.00 C ATOM 396 C ASP A 41 -0.704 13.935 -4.837 1.00 0.00 C ATOM 397 O ASP A 41 -1.902 14.067 -4.690 1.00 0.00 O ATOM 398 CB ASP A 41 -0.618 16.420 -4.716 1.00 0.00 C ATOM 399 CG ASP A 41 -1.109 16.597 -3.281 1.00 0.00 C ATOM 400 OD1 ASP A 41 -1.782 15.687 -2.822 1.00 0.00 O ATOM 401 OD2 ASP A 41 -0.782 17.630 -2.720 1.00 0.00 O ATOM 0 H ASP A 41 0.519 15.573 -6.880 1.00 0.00 H new ATOM 0 HA ASP A 41 0.902 15.052 -3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.025 17.284 -5.018 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.467 16.362 -5.398 1.00 0.00 H new ATOM 406 N GLY A 42 -0.129 12.778 -5.020 1.00 0.00 N ATOM 407 CA GLY A 42 -0.955 11.535 -5.060 1.00 0.00 C ATOM 408 C GLY A 42 -0.211 10.452 -5.838 1.00 0.00 C ATOM 409 O GLY A 42 -0.676 9.987 -6.856 1.00 0.00 O ATOM 0 H GLY A 42 0.874 12.638 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.163 11.191 -4.047 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.917 11.740 -5.531 1.00 0.00 H new ATOM 413 N THR A 43 0.927 10.066 -5.335 1.00 0.00 N ATOM 414 CA THR A 43 1.717 9.012 -6.039 1.00 0.00 C ATOM 415 C THR A 43 1.368 7.626 -5.518 1.00 0.00 C ATOM 416 O THR A 43 0.631 7.499 -4.568 1.00 0.00 O ATOM 417 CB THR A 43 3.188 9.275 -5.758 1.00 0.00 C ATOM 418 OG1 THR A 43 3.293 10.675 -5.609 1.00 0.00 O ATOM 419 CG2 THR A 43 4.049 8.952 -6.980 1.00 0.00 C ATOM 0 H THR A 43 1.343 10.428 -4.477 1.00 0.00 H new ATOM 0 HA THR A 43 1.494 9.047 -7.105 1.00 0.00 H new ATOM 0 HB THR A 43 3.510 8.683 -4.902 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.225 10.915 -5.423 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.096 9.150 -6.750 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.927 7.901 -7.243 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.738 9.575 -7.819 1.00 0.00 H new ATOM 427 N PHE A 44 1.904 6.597 -6.151 1.00 0.00 N ATOM 428 CA PHE A 44 1.587 5.223 -5.670 1.00 0.00 C ATOM 429 C PHE A 44 2.484 4.148 -6.280 1.00 0.00 C ATOM 430 O PHE A 44 2.630 4.053 -7.482 1.00 0.00 O ATOM 431 CB PHE A 44 0.128 4.907 -6.026 1.00 0.00 C ATOM 432 CG PHE A 44 -0.041 4.828 -7.550 1.00 0.00 C ATOM 433 CD1 PHE A 44 0.031 5.970 -8.329 1.00 0.00 C ATOM 434 CD2 PHE A 44 -0.338 3.622 -8.162 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.196 5.902 -9.685 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.565 3.564 -9.517 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.494 4.694 -10.274 1.00 0.00 C ATOM 0 H PHE A 44 2.528 6.655 -6.956 1.00 0.00 H new ATOM 0 HA PHE A 44 1.757 5.209 -4.593 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.169 3.962 -5.570 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.528 5.677 -5.619 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.266 6.919 -7.871 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.392 2.720 -7.571 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.140 6.797 -10.287 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.801 2.619 -9.983 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.672 4.642 -11.338 1.00 0.00 H new ATOM 447 N LEU A 45 3.068 3.351 -5.411 1.00 0.00 N ATOM 448 CA LEU A 45 3.962 2.260 -5.876 1.00 0.00 C ATOM 449 C LEU A 45 3.850 1.059 -4.905 1.00 0.00 C ATOM 450 O LEU A 45 2.974 1.045 -4.061 1.00 0.00 O ATOM 451 CB LEU A 45 5.420 2.771 -5.928 1.00 0.00 C ATOM 452 CG LEU A 45 5.660 3.808 -4.830 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.375 3.187 -3.469 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.119 4.234 -4.873 1.00 0.00 C ATOM 0 H LEU A 45 2.958 3.417 -4.399 1.00 0.00 H new ATOM 0 HA LEU A 45 3.666 1.941 -6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.110 1.936 -5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.623 3.212 -6.904 1.00 0.00 H new ATOM 0 HG LEU A 45 5.005 4.665 -4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.547 3.928 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.338 2.853 -3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.036 2.335 -3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.305 4.974 -4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.757 3.366 -4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.343 4.668 -5.847 1.00 0.00 H new ATOM 466 N VAL A 46 4.732 0.079 -5.030 1.00 0.00 N ATOM 467 CA VAL A 46 4.651 -1.115 -4.098 1.00 0.00 C ATOM 468 C VAL A 46 5.706 -1.041 -2.981 1.00 0.00 C ATOM 469 O VAL A 46 6.684 -0.338 -3.092 1.00 0.00 O ATOM 470 CB VAL A 46 4.859 -2.419 -4.958 1.00 0.00 C ATOM 471 CG1 VAL A 46 6.006 -3.288 -4.406 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.578 -3.255 -4.923 1.00 0.00 C ATOM 0 H VAL A 46 5.486 0.051 -5.717 1.00 0.00 H new ATOM 0 HA VAL A 46 3.675 -1.124 -3.612 1.00 0.00 H new ATOM 0 HB VAL A 46 5.106 -2.109 -5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.119 -4.178 -5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.934 -2.717 -4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.777 -3.585 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.717 -4.159 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.350 -3.529 -3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.753 -2.674 -5.334 1.00 0.00 H new ATOM 482 N ARG A 47 5.469 -1.783 -1.920 1.00 0.00 N ATOM 483 CA ARG A 47 6.425 -1.789 -0.777 1.00 0.00 C ATOM 484 C ARG A 47 6.603 -3.219 -0.242 1.00 0.00 C ATOM 485 O ARG A 47 5.641 -3.880 0.100 1.00 0.00 O ATOM 486 CB ARG A 47 5.842 -0.906 0.349 1.00 0.00 C ATOM 487 CG ARG A 47 6.899 0.093 0.839 1.00 0.00 C ATOM 488 CD ARG A 47 7.984 -0.653 1.614 1.00 0.00 C ATOM 489 NE ARG A 47 7.749 -0.473 3.072 1.00 0.00 N ATOM 490 CZ ARG A 47 7.787 -1.511 3.860 1.00 0.00 C ATOM 491 NH1 ARG A 47 8.866 -2.243 3.887 1.00 0.00 N ATOM 492 NH2 ARG A 47 6.744 -1.781 4.595 1.00 0.00 N ATOM 0 H ARG A 47 4.652 -2.383 -1.803 1.00 0.00 H new ATOM 0 HA ARG A 47 7.391 -1.409 -1.108 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.966 -0.370 -0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.511 -1.532 1.178 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.339 0.619 -0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.435 0.847 1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.968 -1.712 1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.969 -0.274 1.342 1.00 0.00 H new ATOM 0 HE ARG A 47 7.560 0.455 3.452 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.662 -2.000 3.298 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.914 -3.059 4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.918 -1.184 4.547 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.754 -2.589 5.218 1.00 0.00 H new ATOM 506 N ASP A 48 7.832 -3.664 -0.182 1.00 0.00 N ATOM 507 CA ASP A 48 8.100 -5.041 0.324 1.00 0.00 C ATOM 508 C ASP A 48 7.622 -5.223 1.760 1.00 0.00 C ATOM 509 O ASP A 48 8.098 -4.566 2.663 1.00 0.00 O ATOM 510 CB ASP A 48 9.611 -5.278 0.281 1.00 0.00 C ATOM 511 CG ASP A 48 9.981 -6.368 1.291 1.00 0.00 C ATOM 512 OD1 ASP A 48 9.629 -7.502 1.017 1.00 0.00 O ATOM 513 OD2 ASP A 48 10.595 -6.002 2.280 1.00 0.00 O ATOM 0 H ASP A 48 8.658 -3.134 -0.461 1.00 0.00 H new ATOM 0 HA ASP A 48 7.560 -5.750 -0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.915 -5.577 -0.722 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.142 -4.355 0.514 1.00 0.00 H new ATOM 518 N ALA A 49 6.685 -6.119 1.941 1.00 0.00 N ATOM 519 CA ALA A 49 6.163 -6.362 3.310 1.00 0.00 C ATOM 520 C ALA A 49 6.940 -7.486 4.000 1.00 0.00 C ATOM 521 O ALA A 49 8.142 -7.594 3.852 1.00 0.00 O ATOM 522 CB ALA A 49 4.698 -6.787 3.186 1.00 0.00 C ATOM 0 H ALA A 49 6.265 -6.686 1.204 1.00 0.00 H new ATOM 0 HA ALA A 49 6.268 -5.453 3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.288 -6.973 4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.129 -5.994 2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.632 -7.697 2.590 1.00 0.00 H new ATOM 528 N SER A 50 6.233 -8.304 4.743 1.00 0.00 N ATOM 529 CA SER A 50 6.902 -9.428 5.452 1.00 0.00 C ATOM 530 C SER A 50 6.030 -10.682 5.419 1.00 0.00 C ATOM 531 O SER A 50 5.550 -11.078 4.376 1.00 0.00 O ATOM 532 CB SER A 50 7.118 -9.017 6.918 1.00 0.00 C ATOM 533 OG SER A 50 5.814 -9.039 7.478 1.00 0.00 O ATOM 0 H SER A 50 5.225 -8.238 4.886 1.00 0.00 H new ATOM 0 HA SER A 50 7.851 -9.646 4.961 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.785 -9.709 7.432 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.567 -8.027 6.993 1.00 0.00 H new ATOM 0 HG SER A 50 5.852 -9.418 8.381 1.00 0.00 H new ATOM 539 N THR A 51 5.845 -11.286 6.566 1.00 0.00 N ATOM 540 CA THR A 51 5.011 -12.513 6.623 1.00 0.00 C ATOM 541 C THR A 51 5.721 -13.685 5.952 1.00 0.00 C ATOM 542 O THR A 51 5.636 -13.868 4.753 1.00 0.00 O ATOM 543 CB THR A 51 3.687 -12.239 5.892 1.00 0.00 C ATOM 544 OG1 THR A 51 3.458 -10.853 6.045 1.00 0.00 O ATOM 545 CG2 THR A 51 2.508 -12.907 6.621 1.00 0.00 C ATOM 0 H THR A 51 6.235 -10.981 7.458 1.00 0.00 H new ATOM 0 HA THR A 51 4.830 -12.772 7.666 1.00 0.00 H new ATOM 0 HB THR A 51 3.752 -12.597 4.864 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.943 -10.520 5.280 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.583 -12.698 6.084 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.669 -13.984 6.662 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.436 -12.512 7.635 1.00 0.00 H new ATOM 553 N LYS A 52 6.416 -14.457 6.741 1.00 0.00 N ATOM 554 CA LYS A 52 7.141 -15.622 6.172 1.00 0.00 C ATOM 555 C LYS A 52 8.126 -15.178 5.092 1.00 0.00 C ATOM 556 O LYS A 52 8.772 -15.994 4.465 1.00 0.00 O ATOM 557 CB LYS A 52 6.109 -16.572 5.539 1.00 0.00 C ATOM 558 CG LYS A 52 6.555 -18.025 5.749 1.00 0.00 C ATOM 559 CD LYS A 52 6.049 -18.514 7.110 1.00 0.00 C ATOM 560 CE LYS A 52 6.620 -19.907 7.388 1.00 0.00 C ATOM 561 NZ LYS A 52 8.030 -19.808 7.856 1.00 0.00 N ATOM 0 H LYS A 52 6.512 -14.331 7.749 1.00 0.00 H new ATOM 0 HA LYS A 52 7.697 -16.117 6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.129 -16.413 5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.010 -16.361 4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.162 -18.657 4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.642 -18.095 5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.352 -17.821 7.895 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.960 -18.546 7.116 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.015 -20.411 8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.572 -20.513 6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.364 -20.747 8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.629 -19.456 7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.083 -19.152 8.661 1.00 0.00 H new ATOM 575 N MET A 53 8.223 -13.890 4.899 1.00 0.00 N ATOM 576 CA MET A 53 9.159 -13.374 3.866 1.00 0.00 C ATOM 577 C MET A 53 8.890 -14.021 2.507 1.00 0.00 C ATOM 578 O MET A 53 9.602 -14.911 2.090 1.00 0.00 O ATOM 579 CB MET A 53 10.594 -13.713 4.302 1.00 0.00 C ATOM 580 CG MET A 53 11.582 -12.886 3.474 1.00 0.00 C ATOM 581 SD MET A 53 13.256 -13.549 3.277 1.00 0.00 S ATOM 582 CE MET A 53 14.038 -12.030 2.678 1.00 0.00 C ATOM 0 H MET A 53 7.698 -13.180 5.409 1.00 0.00 H new ATOM 0 HA MET A 53 9.020 -12.297 3.769 1.00 0.00 H new ATOM 0 HB2 MET A 53 10.724 -13.501 5.363 1.00 0.00 H new ATOM 0 HB3 MET A 53 10.787 -14.777 4.164 1.00 0.00 H new ATOM 0 HG2 MET A 53 11.155 -12.745 2.481 1.00 0.00 H new ATOM 0 HG3 MET A 53 11.661 -11.899 3.930 1.00 0.00 H new ATOM 0 HE1 MET A 53 15.095 -12.215 2.489 1.00 0.00 H new ATOM 0 HE2 MET A 53 13.554 -11.712 1.754 1.00 0.00 H new ATOM 0 HE3 MET A 53 13.936 -11.247 3.430 1.00 0.00 H new ATOM 592 N HIS A 54 7.861 -13.561 1.844 1.00 0.00 N ATOM 593 CA HIS A 54 7.533 -14.136 0.516 1.00 0.00 C ATOM 594 C HIS A 54 6.846 -13.095 -0.365 1.00 0.00 C ATOM 595 O HIS A 54 7.493 -12.234 -0.926 1.00 0.00 O ATOM 596 CB HIS A 54 6.588 -15.338 0.723 1.00 0.00 C ATOM 597 CG HIS A 54 7.421 -16.595 0.983 1.00 0.00 C ATOM 598 ND1 HIS A 54 7.283 -17.355 1.963 1.00 0.00 N ATOM 599 CD2 HIS A 54 8.442 -17.145 0.231 1.00 0.00 C ATOM 600 CE1 HIS A 54 8.101 -18.324 1.919 1.00 0.00 C ATOM 601 NE2 HIS A 54 8.887 -18.276 0.844 1.00 0.00 N ATOM 0 H HIS A 54 7.241 -12.818 2.165 1.00 0.00 H new ATOM 0 HA HIS A 54 8.452 -14.453 0.022 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.920 -15.150 1.563 1.00 0.00 H new ATOM 0 HB3 HIS A 54 5.961 -15.479 -0.157 1.00 0.00 H new ATOM 0 HD2 HIS A 54 8.825 -16.742 -0.695 1.00 0.00 H new ATOM 0 HE1 HIS A 54 8.154 -19.100 2.668 1.00 0.00 H new ATOM 0 HE2 HIS A 54 9.626 -18.917 0.557 1.00 0.00 H new ATOM 609 N GLY A 55 5.547 -13.193 -0.467 1.00 0.00 N ATOM 610 CA GLY A 55 4.788 -12.217 -1.311 1.00 0.00 C ATOM 611 C GLY A 55 4.022 -11.229 -0.426 1.00 0.00 C ATOM 612 O GLY A 55 4.538 -10.752 0.566 1.00 0.00 O ATOM 0 H GLY A 55 4.978 -13.903 -0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.476 -11.676 -1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.092 -12.750 -1.958 1.00 0.00 H new ATOM 616 N ASP A 56 2.803 -10.936 -0.808 1.00 0.00 N ATOM 617 CA ASP A 56 1.995 -9.989 -0.006 1.00 0.00 C ATOM 618 C ASP A 56 2.775 -8.717 0.251 1.00 0.00 C ATOM 619 O ASP A 56 3.455 -8.602 1.236 1.00 0.00 O ATOM 620 CB ASP A 56 1.665 -10.644 1.339 1.00 0.00 C ATOM 621 CG ASP A 56 1.287 -9.561 2.352 1.00 0.00 C ATOM 622 OD1 ASP A 56 0.637 -8.622 1.924 1.00 0.00 O ATOM 623 OD2 ASP A 56 1.670 -9.734 3.498 1.00 0.00 O ATOM 0 H ASP A 56 2.342 -11.313 -1.636 1.00 0.00 H new ATOM 0 HA ASP A 56 1.084 -9.744 -0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.843 -11.350 1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.523 -11.212 1.700 1.00 0.00 H new ATOM 628 N TYR A 57 2.668 -7.787 -0.649 1.00 0.00 N ATOM 629 CA TYR A 57 3.397 -6.520 -0.472 1.00 0.00 C ATOM 630 C TYR A 57 2.568 -5.493 0.272 1.00 0.00 C ATOM 631 O TYR A 57 1.690 -5.833 1.038 1.00 0.00 O ATOM 632 CB TYR A 57 3.751 -6.004 -1.861 1.00 0.00 C ATOM 633 CG TYR A 57 4.543 -7.098 -2.536 1.00 0.00 C ATOM 634 CD1 TYR A 57 3.905 -8.210 -3.031 1.00 0.00 C ATOM 635 CD2 TYR A 57 5.911 -7.053 -2.548 1.00 0.00 C ATOM 636 CE1 TYR A 57 4.627 -9.264 -3.520 1.00 0.00 C ATOM 637 CE2 TYR A 57 6.638 -8.105 -3.032 1.00 0.00 C ATOM 638 CZ TYR A 57 6.004 -9.224 -3.528 1.00 0.00 C ATOM 639 OH TYR A 57 6.733 -10.282 -4.026 1.00 0.00 O ATOM 0 H TYR A 57 2.106 -7.854 -1.498 1.00 0.00 H new ATOM 0 HA TYR A 57 4.292 -6.692 0.126 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.851 -5.770 -2.429 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.335 -5.086 -1.797 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.826 -8.252 -3.034 1.00 0.00 H new ATOM 0 HD2 TYR A 57 6.421 -6.178 -2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.114 -10.134 -3.903 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.717 -8.059 -3.026 1.00 0.00 H new ATOM 0 HH TYR A 57 7.690 -10.083 -3.954 1.00 0.00 H new ATOM 649 N THR A 58 2.861 -4.258 0.034 1.00 0.00 N ATOM 650 CA THR A 58 2.115 -3.187 0.711 1.00 0.00 C ATOM 651 C THR A 58 2.004 -1.970 -0.187 1.00 0.00 C ATOM 652 O THR A 58 2.996 -1.420 -0.612 1.00 0.00 O ATOM 653 CB THR A 58 2.890 -2.825 1.975 1.00 0.00 C ATOM 654 OG1 THR A 58 2.207 -3.474 3.026 1.00 0.00 O ATOM 655 CG2 THR A 58 2.772 -1.335 2.307 1.00 0.00 C ATOM 0 H THR A 58 3.591 -3.944 -0.605 1.00 0.00 H new ATOM 0 HA THR A 58 1.106 -3.521 0.951 1.00 0.00 H new ATOM 0 HB THR A 58 3.938 -3.096 1.844 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.887 -4.348 2.718 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.338 -1.118 3.213 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.170 -0.746 1.481 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.724 -1.079 2.463 1.00 0.00 H new ATOM 663 N LEU A 59 0.804 -1.578 -0.473 1.00 0.00 N ATOM 664 CA LEU A 59 0.625 -0.399 -1.342 1.00 0.00 C ATOM 665 C LEU A 59 0.864 0.883 -0.560 1.00 0.00 C ATOM 666 O LEU A 59 0.358 1.048 0.532 1.00 0.00 O ATOM 667 CB LEU A 59 -0.825 -0.397 -1.867 1.00 0.00 C ATOM 668 CG LEU A 59 -0.839 -0.752 -3.363 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.431 -2.220 -3.546 1.00 0.00 C ATOM 670 CD2 LEU A 59 -2.258 -0.563 -3.913 1.00 0.00 C ATOM 0 H LEU A 59 -0.055 -2.020 -0.145 1.00 0.00 H new ATOM 0 HA LEU A 59 1.339 -0.448 -2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.425 -1.115 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.276 0.583 -1.712 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.141 -0.105 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.441 -2.471 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.572 -2.371 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.134 -2.862 -3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.273 -0.813 -4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.946 -1.216 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.564 0.475 -3.781 1.00 0.00 H new ATOM 682 N THR A 60 1.646 1.761 -1.132 1.00 0.00 N ATOM 683 CA THR A 60 1.940 3.046 -0.446 1.00 0.00 C ATOM 684 C THR A 60 1.709 4.204 -1.397 1.00 0.00 C ATOM 685 O THR A 60 2.157 4.178 -2.526 1.00 0.00 O ATOM 686 CB THR A 60 3.399 3.035 0.009 1.00 0.00 C ATOM 687 OG1 THR A 60 3.348 2.717 1.384 1.00 0.00 O ATOM 688 CG2 THR A 60 4.017 4.450 -0.035 1.00 0.00 C ATOM 0 H THR A 60 2.091 1.641 -2.042 1.00 0.00 H new ATOM 0 HA THR A 60 1.282 3.164 0.415 1.00 0.00 H new ATOM 0 HB THR A 60 3.974 2.356 -0.621 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.845 1.888 1.547 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.055 4.404 0.295 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.977 4.833 -1.055 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.456 5.113 0.624 1.00 0.00 H new ATOM 696 N LEU A 61 1.004 5.201 -0.918 1.00 0.00 N ATOM 697 CA LEU A 61 0.720 6.385 -1.775 1.00 0.00 C ATOM 698 C LEU A 61 1.043 7.680 -1.066 1.00 0.00 C ATOM 699 O LEU A 61 0.815 7.823 0.115 1.00 0.00 O ATOM 700 CB LEU A 61 -0.783 6.411 -2.145 1.00 0.00 C ATOM 701 CG LEU A 61 -1.521 5.215 -1.539 1.00 0.00 C ATOM 702 CD1 LEU A 61 -3.023 5.416 -1.738 1.00 0.00 C ATOM 703 CD2 LEU A 61 -1.093 3.924 -2.249 1.00 0.00 C ATOM 0 H LEU A 61 0.617 5.242 0.025 1.00 0.00 H new ATOM 0 HA LEU A 61 1.345 6.298 -2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.232 7.338 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.894 6.399 -3.229 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.283 5.138 -0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.563 4.571 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.336 6.335 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.243 5.486 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.622 3.076 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.334 3.995 -3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.019 3.782 -2.129 1.00 0.00 H new ATOM 715 N ARG A 62 1.570 8.610 -1.811 1.00 0.00 N ATOM 716 CA ARG A 62 1.918 9.908 -1.215 1.00 0.00 C ATOM 717 C ARG A 62 0.701 10.805 -1.198 1.00 0.00 C ATOM 718 O ARG A 62 0.266 11.268 -2.238 1.00 0.00 O ATOM 719 CB ARG A 62 2.993 10.560 -2.089 1.00 0.00 C ATOM 720 CG ARG A 62 3.499 11.837 -1.415 1.00 0.00 C ATOM 721 CD ARG A 62 4.199 11.487 -0.093 1.00 0.00 C ATOM 722 NE ARG A 62 5.300 12.467 0.139 1.00 0.00 N ATOM 723 CZ ARG A 62 5.864 12.535 1.316 1.00 0.00 C ATOM 724 NH1 ARG A 62 6.389 11.456 1.829 1.00 0.00 N ATOM 725 NH2 ARG A 62 5.881 13.681 1.941 1.00 0.00 N ATOM 0 H ARG A 62 1.771 8.518 -2.807 1.00 0.00 H new ATOM 0 HA ARG A 62 2.277 9.764 -0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.820 9.867 -2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.584 10.793 -3.072 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.191 12.358 -2.076 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.666 12.514 -1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.487 11.517 0.731 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.598 10.473 -0.133 1.00 0.00 H new ATOM 0 HE ARG A 62 5.610 13.079 -0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.355 10.577 1.312 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.833 11.492 2.747 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.459 14.503 1.510 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.316 13.754 2.860 1.00 0.00 H new ATOM 739 N LYS A 63 0.176 11.038 -0.019 1.00 0.00 N ATOM 740 CA LYS A 63 -1.022 11.904 0.100 1.00 0.00 C ATOM 741 C LYS A 63 -0.653 13.377 -0.035 1.00 0.00 C ATOM 742 O LYS A 63 -1.345 14.251 0.453 1.00 0.00 O ATOM 743 CB LYS A 63 -1.649 11.651 1.479 1.00 0.00 C ATOM 744 CG LYS A 63 -2.952 10.861 1.297 1.00 0.00 C ATOM 745 CD LYS A 63 -3.465 10.392 2.666 1.00 0.00 C ATOM 746 CE LYS A 63 -4.856 10.985 2.914 1.00 0.00 C ATOM 747 NZ LYS A 63 -5.788 10.615 1.813 1.00 0.00 N ATOM 0 H LYS A 63 0.530 10.663 0.861 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.725 11.666 -0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.957 11.095 2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.849 12.598 1.981 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.702 11.484 0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.781 10.002 0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.510 9.303 2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.778 10.705 3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.247 10.624 3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.786 12.070 2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.739 10.455 2.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.824 11.385 1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.452 9.746 1.352 1.00 0.00 H new ATOM 761 N GLY A 64 0.423 13.623 -0.712 1.00 0.00 N ATOM 762 CA GLY A 64 0.865 15.034 -0.901 1.00 0.00 C ATOM 763 C GLY A 64 1.486 15.595 0.375 1.00 0.00 C ATOM 764 O GLY A 64 1.479 16.790 0.595 1.00 0.00 O ATOM 0 H GLY A 64 1.018 12.916 -1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.590 15.085 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.014 15.648 -1.194 1.00 0.00 H new ATOM 768 N GLY A 65 2.008 14.732 1.185 1.00 0.00 N ATOM 769 CA GLY A 65 2.632 15.211 2.450 1.00 0.00 C ATOM 770 C GLY A 65 3.134 14.041 3.282 1.00 0.00 C ATOM 771 O GLY A 65 4.218 14.084 3.828 1.00 0.00 O ATOM 0 H GLY A 65 2.033 13.723 1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.460 15.882 2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.905 15.786 3.024 1.00 0.00 H new ATOM 775 N ASN A 66 2.332 13.023 3.359 1.00 0.00 N ATOM 776 CA ASN A 66 2.724 11.832 4.143 1.00 0.00 C ATOM 777 C ASN A 66 2.421 10.551 3.383 1.00 0.00 C ATOM 778 O ASN A 66 1.396 10.431 2.741 1.00 0.00 O ATOM 779 CB ASN A 66 1.909 11.837 5.434 1.00 0.00 C ATOM 780 CG ASN A 66 2.627 10.990 6.487 1.00 0.00 C ATOM 781 OD1 ASN A 66 2.916 9.749 6.209 1.00 0.00 O flip ATOM 782 ND2 ASN A 66 2.930 11.451 7.570 1.00 0.00 N flip ATOM 0 H ASN A 66 1.418 12.966 2.910 1.00 0.00 H new ATOM 0 HA ASN A 66 3.795 11.869 4.341 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.784 12.858 5.795 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.911 11.440 5.249 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.706 12.421 7.792 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.408 10.868 8.257 1.00 0.00 H new ATOM 789 N ASN A 67 3.321 9.612 3.469 1.00 0.00 N ATOM 790 CA ASN A 67 3.106 8.332 2.759 1.00 0.00 C ATOM 791 C ASN A 67 2.063 7.488 3.474 1.00 0.00 C ATOM 792 O ASN A 67 2.252 7.091 4.606 1.00 0.00 O ATOM 793 CB ASN A 67 4.432 7.553 2.732 1.00 0.00 C ATOM 794 CG ASN A 67 5.523 8.367 3.427 1.00 0.00 C ATOM 795 OD1 ASN A 67 5.451 8.640 4.609 1.00 0.00 O ATOM 796 ND2 ASN A 67 6.550 8.774 2.732 1.00 0.00 N ATOM 0 H ASN A 67 4.190 9.679 3.999 1.00 0.00 H new ATOM 0 HA ASN A 67 2.758 8.545 1.748 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.310 6.591 3.230 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.721 7.344 1.702 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.287 9.318 3.181 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.616 8.548 1.740 1.00 0.00 H new ATOM 803 N LYS A 68 0.978 7.229 2.801 1.00 0.00 N ATOM 804 CA LYS A 68 -0.081 6.415 3.423 1.00 0.00 C ATOM 805 C LYS A 68 0.186 4.945 3.156 1.00 0.00 C ATOM 806 O LYS A 68 0.303 4.532 2.022 1.00 0.00 O ATOM 807 CB LYS A 68 -1.416 6.806 2.786 1.00 0.00 C ATOM 808 CG LYS A 68 -2.558 6.345 3.683 1.00 0.00 C ATOM 809 CD LYS A 68 -3.661 5.758 2.809 1.00 0.00 C ATOM 810 CE LYS A 68 -4.940 5.622 3.638 1.00 0.00 C ATOM 811 NZ LYS A 68 -4.663 4.888 4.905 1.00 0.00 N ATOM 0 H LYS A 68 0.786 7.548 1.851 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.104 6.585 4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.462 7.886 2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.508 6.352 1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.202 5.599 4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.943 7.182 4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.839 6.400 1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.357 4.784 2.424 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.342 6.610 3.863 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.699 5.093 3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.558 4.552 5.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.046 4.075 4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.192 5.525 5.579 1.00 0.00 H new ATOM 825 N LEU A 69 0.276 4.180 4.202 1.00 0.00 N ATOM 826 CA LEU A 69 0.539 2.735 4.019 1.00 0.00 C ATOM 827 C LEU A 69 -0.739 1.913 3.907 1.00 0.00 C ATOM 828 O LEU A 69 -1.684 2.114 4.645 1.00 0.00 O ATOM 829 CB LEU A 69 1.321 2.239 5.243 1.00 0.00 C ATOM 830 CG LEU A 69 2.187 1.048 4.841 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.587 1.554 4.476 1.00 0.00 C ATOM 832 CD2 LEU A 69 2.291 0.081 6.024 1.00 0.00 C ATOM 0 H LEU A 69 0.179 4.491 5.169 1.00 0.00 H new ATOM 0 HA LEU A 69 1.095 2.610 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.945 3.040 5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.632 1.950 6.037 1.00 0.00 H new ATOM 0 HG LEU A 69 1.744 0.535 3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.215 0.711 4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.515 2.255 3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.028 2.056 5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.908 -0.772 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.744 0.593 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.295 -0.267 6.298 1.00 0.00 H new ATOM 844 N ILE A 70 -0.735 0.995 2.969 1.00 0.00 N ATOM 845 CA ILE A 70 -1.923 0.126 2.766 1.00 0.00 C ATOM 846 C ILE A 70 -1.464 -1.318 2.589 1.00 0.00 C ATOM 847 O ILE A 70 -0.522 -1.584 1.869 1.00 0.00 O ATOM 848 CB ILE A 70 -2.670 0.577 1.516 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.468 1.834 1.833 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.646 -0.539 1.106 1.00 0.00 C ATOM 851 CD1 ILE A 70 -3.449 2.756 0.620 1.00 0.00 C ATOM 0 H ILE A 70 0.045 0.815 2.337 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.583 0.197 3.630 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.964 0.784 0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.494 1.573 2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.042 2.342 2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.191 -0.235 0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.088 -1.452 0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.351 -0.721 1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.019 3.659 0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.420 3.025 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.895 2.244 -0.233 1.00 0.00 H new ATOM 863 N LYS A 71 -2.132 -2.228 3.242 1.00 0.00 N ATOM 864 CA LYS A 71 -1.729 -3.655 3.115 1.00 0.00 C ATOM 865 C LYS A 71 -2.448 -4.376 1.974 1.00 0.00 C ATOM 866 O LYS A 71 -3.532 -4.007 1.570 1.00 0.00 O ATOM 867 CB LYS A 71 -2.078 -4.369 4.432 1.00 0.00 C ATOM 868 CG LYS A 71 -1.636 -5.833 4.345 1.00 0.00 C ATOM 869 CD LYS A 71 -1.143 -6.292 5.717 1.00 0.00 C ATOM 870 CE LYS A 71 -1.077 -7.822 5.736 1.00 0.00 C ATOM 871 NZ LYS A 71 -0.292 -8.299 6.910 1.00 0.00 N ATOM 0 H LYS A 71 -2.930 -2.048 3.851 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.661 -3.681 2.899 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.583 -3.876 5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.151 -4.311 4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.467 -6.457 4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.843 -5.943 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.160 -5.870 5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.814 -5.934 6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.085 -8.234 5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.620 -8.183 4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.258 -9.338 6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.675 -7.921 6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.745 -7.971 7.787 1.00 0.00 H new ATOM 885 N ILE A 72 -1.797 -5.399 1.479 1.00 0.00 N ATOM 886 CA ILE A 72 -2.366 -6.203 0.369 1.00 0.00 C ATOM 887 C ILE A 72 -2.810 -7.550 0.937 1.00 0.00 C ATOM 888 O ILE A 72 -2.023 -8.229 1.566 1.00 0.00 O ATOM 889 CB ILE A 72 -1.234 -6.432 -0.659 1.00 0.00 C ATOM 890 CG1 ILE A 72 -1.248 -5.332 -1.733 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.403 -7.821 -1.331 1.00 0.00 C ATOM 892 CD1 ILE A 72 -2.316 -5.615 -2.807 1.00 0.00 C ATOM 0 H ILE A 72 -0.882 -5.711 1.806 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.214 -5.702 -0.098 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.279 -6.397 -0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.445 -4.367 -1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.266 -5.265 -2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.602 -7.975 -2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.361 -8.601 -0.570 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.365 -7.864 -1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.302 -4.820 -3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.103 -6.569 -3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.300 -5.657 -2.340 1.00 0.00 H new ATOM 904 N PHE A 73 -4.047 -7.927 0.712 1.00 0.00 N ATOM 905 CA PHE A 73 -4.500 -9.231 1.259 1.00 0.00 C ATOM 906 C PHE A 73 -4.326 -10.349 0.233 1.00 0.00 C ATOM 907 O PHE A 73 -5.155 -10.547 -0.628 1.00 0.00 O ATOM 908 CB PHE A 73 -5.991 -9.124 1.673 1.00 0.00 C ATOM 909 CG PHE A 73 -6.445 -7.654 1.637 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.707 -6.667 2.275 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.579 -7.292 0.935 1.00 0.00 C ATOM 912 CE1 PHE A 73 -6.095 -5.345 2.200 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.963 -5.967 0.862 1.00 0.00 C ATOM 914 CZ PHE A 73 -7.220 -4.995 1.494 1.00 0.00 C ATOM 0 H PHE A 73 -4.742 -7.398 0.186 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.890 -9.473 2.129 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.607 -9.720 1.000 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.129 -9.531 2.675 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.823 -6.935 2.834 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.169 -8.050 0.440 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.513 -4.584 2.698 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.848 -5.693 0.308 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.521 -3.960 1.435 1.00 0.00 H new ATOM 924 N HIS A 74 -3.222 -11.048 0.349 1.00 0.00 N ATOM 925 CA HIS A 74 -2.932 -12.170 -0.587 1.00 0.00 C ATOM 926 C HIS A 74 -3.117 -13.499 0.151 1.00 0.00 C ATOM 927 O HIS A 74 -3.279 -13.503 1.356 1.00 0.00 O ATOM 928 CB HIS A 74 -1.465 -12.032 -1.046 1.00 0.00 C ATOM 929 CG HIS A 74 -0.837 -13.416 -1.215 1.00 0.00 C ATOM 930 ND1 HIS A 74 -0.072 -13.962 -0.390 1.00 0.00 N ATOM 931 CD2 HIS A 74 -0.974 -14.322 -2.246 1.00 0.00 C ATOM 932 CE1 HIS A 74 0.290 -15.111 -0.783 1.00 0.00 C ATOM 933 NE2 HIS A 74 -0.236 -15.433 -1.965 1.00 0.00 N ATOM 0 H HIS A 74 -2.507 -10.885 1.058 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.603 -12.143 -1.446 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.420 -11.486 -1.988 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.900 -11.454 -0.315 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.223 -13.536 0.489 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.571 -14.175 -3.134 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.950 -15.757 -0.223 1.00 0.00 H new ATOM 941 N ARG A 75 -3.099 -14.603 -0.569 1.00 0.00 N ATOM 942 CA ARG A 75 -3.279 -15.914 0.125 1.00 0.00 C ATOM 943 C ARG A 75 -2.384 -17.009 -0.459 1.00 0.00 C ATOM 944 O ARG A 75 -1.520 -17.521 0.226 1.00 0.00 O ATOM 945 CB ARG A 75 -4.747 -16.340 -0.022 1.00 0.00 C ATOM 946 CG ARG A 75 -5.017 -17.566 0.868 1.00 0.00 C ATOM 947 CD ARG A 75 -6.351 -17.382 1.599 1.00 0.00 C ATOM 948 NE ARG A 75 -6.154 -16.435 2.734 1.00 0.00 N ATOM 949 CZ ARG A 75 -5.816 -16.900 3.909 1.00 0.00 C ATOM 950 NH1 ARG A 75 -4.596 -17.324 4.092 1.00 0.00 N ATOM 951 NH2 ARG A 75 -6.712 -16.928 4.859 1.00 0.00 N ATOM 0 H ARG A 75 -2.971 -14.649 -1.580 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.001 -15.786 1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.405 -15.519 0.262 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.965 -16.578 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.045 -18.471 0.261 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.209 -17.691 1.589 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.106 -16.997 0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.714 -18.341 1.967 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.282 -15.433 2.595 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.924 -17.290 3.326 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.314 -17.690 5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.658 -16.591 4.678 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.466 -17.287 5.781 1.00 0.00 H new ATOM 965 N ASP A 76 -2.607 -17.350 -1.712 1.00 0.00 N ATOM 966 CA ASP A 76 -1.769 -18.418 -2.347 1.00 0.00 C ATOM 967 C ASP A 76 -1.178 -17.964 -3.680 1.00 0.00 C ATOM 968 O ASP A 76 -0.742 -18.778 -4.472 1.00 0.00 O ATOM 969 CB ASP A 76 -2.666 -19.632 -2.597 1.00 0.00 C ATOM 970 CG ASP A 76 -1.835 -20.772 -3.191 1.00 0.00 C ATOM 971 OD1 ASP A 76 -1.107 -21.372 -2.417 1.00 0.00 O ATOM 972 OD2 ASP A 76 -1.977 -20.978 -4.385 1.00 0.00 O ATOM 0 H ASP A 76 -3.323 -16.940 -2.312 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.941 -18.654 -1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.128 -19.954 -1.664 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.475 -19.365 -3.278 1.00 0.00 H new ATOM 977 N GLY A 77 -1.166 -16.677 -3.901 1.00 0.00 N ATOM 978 CA GLY A 77 -0.602 -16.151 -5.184 1.00 0.00 C ATOM 979 C GLY A 77 -1.546 -15.124 -5.794 1.00 0.00 C ATOM 980 O GLY A 77 -1.158 -14.341 -6.639 1.00 0.00 O ATOM 0 H GLY A 77 -1.519 -15.970 -3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.372 -15.697 -5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.445 -16.972 -5.884 1.00 0.00 H new ATOM 984 N LYS A 78 -2.763 -15.148 -5.353 1.00 0.00 N ATOM 985 CA LYS A 78 -3.748 -14.189 -5.887 1.00 0.00 C ATOM 986 C LYS A 78 -3.652 -12.875 -5.115 1.00 0.00 C ATOM 987 O LYS A 78 -2.638 -12.598 -4.506 1.00 0.00 O ATOM 988 CB LYS A 78 -5.157 -14.811 -5.729 1.00 0.00 C ATOM 989 CG LYS A 78 -5.082 -15.993 -4.762 1.00 0.00 C ATOM 990 CD LYS A 78 -6.498 -16.473 -4.457 1.00 0.00 C ATOM 991 CE LYS A 78 -6.433 -17.633 -3.467 1.00 0.00 C ATOM 992 NZ LYS A 78 -7.311 -17.365 -2.295 1.00 0.00 N ATOM 0 H LYS A 78 -3.117 -15.791 -4.645 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.553 -13.981 -6.939 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.857 -14.064 -5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.532 -15.142 -6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.496 -16.801 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.578 -15.696 -3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.090 -15.657 -4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.993 -16.790 -5.375 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.742 -18.556 -3.958 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.405 -17.778 -3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.256 -18.163 -1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.998 -16.495 -1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.293 -17.249 -2.616 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.687 -12.082 -5.154 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.636 -10.800 -4.420 1.00 0.00 C ATOM 1008 C TYR A 79 -5.974 -10.454 -3.847 1.00 0.00 C ATOM 1009 O TYR A 79 -6.989 -10.926 -4.308 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.239 -9.699 -5.395 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.752 -9.769 -5.637 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -1.874 -9.198 -4.749 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -2.267 -10.406 -6.750 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.519 -9.265 -4.972 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.914 -10.478 -6.980 1.00 0.00 C ATOM 1016 CZ TYR A 79 -0.025 -9.908 -6.092 1.00 0.00 C ATOM 1017 OH TYR A 79 1.333 -9.976 -6.316 1.00 0.00 O ATOM 0 H TYR A 79 -5.554 -12.268 -5.658 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.916 -10.894 -3.607 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.779 -9.816 -6.335 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.509 -8.723 -4.991 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.250 -8.694 -3.871 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.954 -10.855 -7.452 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.164 -8.813 -4.268 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.545 -10.983 -7.860 1.00 0.00 H new ATOM 0 HH TYR A 79 1.503 -10.465 -7.148 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.949 -9.628 -2.852 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.205 -9.212 -2.204 1.00 0.00 C ATOM 1029 C GLY A 80 -7.234 -7.704 -2.114 1.00 0.00 C ATOM 1030 O GLY A 80 -6.486 -7.112 -1.371 1.00 0.00 O ATOM 0 H GLY A 80 -5.102 -9.220 -2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.061 -9.572 -2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.279 -9.650 -1.209 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.079 -7.117 -2.896 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.189 -5.649 -2.889 1.00 0.00 C ATOM 1036 C PHE A 81 -9.599 -5.245 -3.248 1.00 0.00 C ATOM 1037 O PHE A 81 -10.062 -4.177 -2.902 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.229 -5.090 -3.941 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.417 -3.952 -3.319 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.520 -4.206 -2.297 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.603 -2.649 -3.739 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.832 -3.177 -1.701 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -5.910 -1.619 -3.139 1.00 0.00 C ATOM 1044 CZ PHE A 81 -5.025 -1.887 -2.119 1.00 0.00 C ATOM 0 H PHE A 81 -8.703 -7.597 -3.545 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.943 -5.262 -1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.564 -5.876 -4.299 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.786 -4.727 -4.804 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.359 -5.221 -1.965 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.294 -2.436 -4.541 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.137 -3.386 -0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -6.061 -0.602 -3.469 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.483 -1.080 -1.648 1.00 0.00 H new ATOM 1054 N SER A 82 -10.254 -6.121 -3.938 1.00 0.00 N ATOM 1055 CA SER A 82 -11.648 -5.841 -4.351 1.00 0.00 C ATOM 1056 C SER A 82 -12.466 -7.113 -4.346 1.00 0.00 C ATOM 1057 O SER A 82 -13.282 -7.327 -3.472 1.00 0.00 O ATOM 1058 CB SER A 82 -11.632 -5.263 -5.763 1.00 0.00 C ATOM 1059 OG SER A 82 -12.085 -3.929 -5.594 1.00 0.00 O ATOM 0 H SER A 82 -9.884 -7.024 -4.236 1.00 0.00 H new ATOM 0 HA SER A 82 -12.095 -5.133 -3.652 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.632 -5.293 -6.195 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.285 -5.824 -6.431 1.00 0.00 H new ATOM 0 HG SER A 82 -12.104 -3.477 -6.464 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.238 -7.933 -5.321 1.00 0.00 N ATOM 1066 CA ASP A 83 -12.995 -9.197 -5.387 1.00 0.00 C ATOM 1067 C ASP A 83 -12.606 -10.088 -4.199 1.00 0.00 C ATOM 1068 O ASP A 83 -11.554 -9.905 -3.630 1.00 0.00 O ATOM 1069 CB ASP A 83 -12.619 -9.921 -6.702 1.00 0.00 C ATOM 1070 CG ASP A 83 -13.859 -10.017 -7.592 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -14.479 -8.982 -7.768 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -14.118 -11.120 -8.042 1.00 0.00 O ATOM 0 H ASP A 83 -11.563 -7.783 -6.071 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.065 -8.994 -5.354 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.827 -9.377 -7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.233 -10.917 -6.486 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.473 -11.030 -3.822 1.00 0.00 N ATOM 1078 CA PRO A 84 -13.174 -11.921 -2.701 1.00 0.00 C ATOM 1079 C PRO A 84 -11.961 -12.804 -3.038 1.00 0.00 C ATOM 1080 O PRO A 84 -12.084 -13.998 -3.226 1.00 0.00 O ATOM 1081 CB PRO A 84 -14.456 -12.788 -2.534 1.00 0.00 C ATOM 1082 CG PRO A 84 -15.375 -12.480 -3.754 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.782 -11.255 -4.471 1.00 0.00 C ATOM 0 HA PRO A 84 -12.926 -11.379 -1.789 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.203 -13.848 -2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.963 -12.550 -1.599 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.420 -13.336 -4.428 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.395 -12.278 -3.426 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.667 -11.440 -5.539 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.429 -10.384 -4.366 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.803 -12.186 -3.097 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.576 -12.951 -3.420 1.00 0.00 C ATOM 1093 C LEU A 85 -9.868 -13.988 -4.505 1.00 0.00 C ATOM 1094 O LEU A 85 -9.272 -15.045 -4.552 1.00 0.00 O ATOM 1095 CB LEU A 85 -9.083 -13.642 -2.131 1.00 0.00 C ATOM 1096 CG LEU A 85 -8.002 -12.762 -1.484 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -7.933 -13.052 0.010 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.650 -13.083 -2.117 1.00 0.00 C ATOM 0 H LEU A 85 -10.665 -11.189 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.805 -12.280 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.913 -13.790 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.680 -14.628 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.247 -11.712 -1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.166 -12.427 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.898 -12.835 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.686 -14.102 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.879 -12.462 -1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.412 -14.134 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.693 -12.883 -3.188 1.00 0.00 H new ATOM 1110 N THR A 86 -10.792 -13.649 -5.368 1.00 0.00 N ATOM 1111 CA THR A 86 -11.150 -14.580 -6.459 1.00 0.00 C ATOM 1112 C THR A 86 -10.341 -14.293 -7.720 1.00 0.00 C ATOM 1113 O THR A 86 -10.024 -15.196 -8.469 1.00 0.00 O ATOM 1114 CB THR A 86 -12.638 -14.404 -6.776 1.00 0.00 C ATOM 1115 OG1 THR A 86 -13.304 -14.536 -5.537 1.00 0.00 O ATOM 1116 CG2 THR A 86 -13.156 -15.576 -7.622 1.00 0.00 C ATOM 0 H THR A 86 -11.308 -12.769 -5.358 1.00 0.00 H new ATOM 0 HA THR A 86 -10.933 -15.598 -6.136 1.00 0.00 H new ATOM 0 HB THR A 86 -12.796 -13.458 -7.295 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.643 -14.613 -4.817 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.215 -15.431 -7.836 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.600 -15.622 -8.558 1.00 0.00 H new ATOM 0 HG23 THR A 86 -13.021 -16.508 -7.073 1.00 0.00 H new ATOM 1124 N PHE A 87 -10.016 -13.042 -7.942 1.00 0.00 N ATOM 1125 CA PHE A 87 -9.230 -12.716 -9.156 1.00 0.00 C ATOM 1126 C PHE A 87 -7.782 -13.148 -8.972 1.00 0.00 C ATOM 1127 O PHE A 87 -7.508 -14.017 -8.168 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.319 -11.199 -9.442 1.00 0.00 C ATOM 1129 CG PHE A 87 -8.531 -10.395 -8.410 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -9.015 -10.224 -7.122 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.344 -9.779 -8.765 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -8.324 -9.451 -6.214 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -6.658 -9.007 -7.855 1.00 0.00 C ATOM 1134 CZ PHE A 87 -7.147 -8.844 -6.581 1.00 0.00 C ATOM 0 H PHE A 87 -10.259 -12.252 -7.344 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.641 -13.256 -10.009 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.933 -10.991 -10.440 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.363 -10.885 -9.432 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.939 -10.699 -6.828 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.953 -9.905 -9.764 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.708 -9.322 -5.213 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.734 -8.528 -8.143 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.606 -8.239 -5.868 1.00 0.00 H new ATOM 1144 N ASN A 88 -6.866 -12.541 -9.689 1.00 0.00 N ATOM 1145 CA ASN A 88 -5.443 -12.978 -9.505 1.00 0.00 C ATOM 1146 C ASN A 88 -4.395 -11.943 -9.928 1.00 0.00 C ATOM 1147 O ASN A 88 -3.256 -12.049 -9.517 1.00 0.00 O ATOM 1148 CB ASN A 88 -5.215 -14.235 -10.372 1.00 0.00 C ATOM 1149 CG ASN A 88 -6.190 -15.338 -9.963 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -5.957 -16.069 -9.022 1.00 0.00 O ATOM 1151 ND2 ASN A 88 -7.292 -15.496 -10.645 1.00 0.00 N ATOM 0 H ASN A 88 -7.028 -11.795 -10.365 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.313 -13.148 -8.436 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.352 -13.990 -11.425 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.189 -14.585 -10.257 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.951 -16.230 -10.386 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.494 -14.885 -11.437 1.00 0.00 H new ATOM 1158 N SER A 89 -4.771 -10.974 -10.726 1.00 0.00 N ATOM 1159 CA SER A 89 -3.747 -9.951 -11.156 1.00 0.00 C ATOM 1160 C SER A 89 -4.039 -8.549 -10.661 1.00 0.00 C ATOM 1161 O SER A 89 -5.165 -8.069 -10.702 1.00 0.00 O ATOM 1162 CB SER A 89 -3.714 -9.910 -12.679 1.00 0.00 C ATOM 1163 OG SER A 89 -4.691 -10.858 -13.081 1.00 0.00 O ATOM 0 H SER A 89 -5.713 -10.842 -11.094 1.00 0.00 H new ATOM 0 HA SER A 89 -2.796 -10.259 -10.721 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.949 -8.914 -13.054 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.727 -10.170 -13.062 1.00 0.00 H new ATOM 0 HG SER A 89 -4.732 -10.890 -14.060 1.00 0.00 H new ATOM 1169 N VAL A 90 -2.992 -7.900 -10.234 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.142 -6.525 -9.730 1.00 0.00 C ATOM 1171 C VAL A 90 -3.213 -5.591 -10.901 1.00 0.00 C ATOM 1172 O VAL A 90 -3.917 -4.603 -10.879 1.00 0.00 O ATOM 1173 CB VAL A 90 -1.915 -6.169 -8.873 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.292 -5.049 -7.898 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -1.478 -7.401 -8.079 1.00 0.00 C ATOM 0 H VAL A 90 -2.042 -8.271 -10.216 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.047 -6.440 -9.129 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.099 -5.840 -9.517 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.427 -4.792 -7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.614 -4.172 -8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.104 -5.386 -7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.609 -7.152 -7.471 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.293 -7.725 -7.432 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.220 -8.205 -8.768 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.477 -5.927 -11.918 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.479 -5.082 -13.116 1.00 0.00 C ATOM 1187 C VAL A 91 -3.900 -4.938 -13.579 1.00 0.00 C ATOM 1188 O VAL A 91 -4.365 -3.859 -13.866 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.651 -5.795 -14.211 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.102 -4.768 -15.218 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.482 -6.536 -13.554 1.00 0.00 C ATOM 0 H VAL A 91 -1.878 -6.751 -11.963 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.052 -4.101 -12.909 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.291 -6.501 -14.740 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.521 -5.283 -15.983 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.932 -4.239 -15.687 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.464 -4.054 -14.698 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.106 -7.041 -14.321 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.149 -5.823 -13.024 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.868 -7.272 -12.849 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.572 -6.046 -13.625 1.00 0.00 N ATOM 1202 CA GLU A 92 -5.979 -6.026 -14.060 1.00 0.00 C ATOM 1203 C GLU A 92 -6.755 -5.073 -13.174 1.00 0.00 C ATOM 1204 O GLU A 92 -7.524 -4.259 -13.646 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.559 -7.444 -13.900 1.00 0.00 C ATOM 1206 CG GLU A 92 -7.875 -7.535 -14.671 1.00 0.00 C ATOM 1207 CD GLU A 92 -8.610 -8.820 -14.279 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -7.981 -9.620 -13.605 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -9.758 -8.929 -14.676 1.00 0.00 O ATOM 0 H GLU A 92 -4.203 -6.965 -13.379 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.049 -5.704 -15.099 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.852 -8.184 -14.274 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.725 -7.666 -12.846 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.497 -6.667 -14.453 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -7.681 -7.527 -15.744 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.535 -5.197 -11.893 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.242 -4.310 -10.939 1.00 0.00 C ATOM 1218 C LEU A 93 -6.734 -2.875 -11.072 1.00 0.00 C ATOM 1219 O LEU A 93 -7.421 -2.015 -11.591 1.00 0.00 O ATOM 1220 CB LEU A 93 -6.947 -4.832 -9.505 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.510 -3.864 -8.441 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.457 -4.622 -7.524 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.355 -3.312 -7.597 1.00 0.00 C ATOM 0 H LEU A 93 -5.898 -5.873 -11.472 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.312 -4.315 -11.145 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.389 -5.820 -9.375 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.871 -4.944 -9.368 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.037 -3.049 -8.936 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.857 -3.942 -6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.277 -5.037 -8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.917 -5.431 -7.032 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.748 -2.628 -6.845 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.839 -4.136 -7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.656 -2.779 -8.241 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.545 -2.647 -10.594 1.00 0.00 N ATOM 1236 CA ILE A 94 -4.964 -1.287 -10.675 1.00 0.00 C ATOM 1237 C ILE A 94 -5.259 -0.645 -12.022 1.00 0.00 C ATOM 1238 O ILE A 94 -5.439 0.548 -12.109 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.433 -1.419 -10.450 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -2.965 -0.558 -9.256 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -2.637 -0.999 -11.722 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.516 0.882 -9.341 1.00 0.00 C ATOM 0 H ILE A 94 -4.951 -3.348 -10.150 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.407 -0.643 -9.915 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.235 -2.469 -10.233 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.293 -1.019 -8.324 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.876 -0.530 -9.232 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.568 -1.102 -11.533 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.921 -1.639 -12.557 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.863 0.039 -11.967 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.165 1.457 -8.484 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.167 1.352 -10.261 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.606 0.855 -9.339 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.295 -1.445 -13.055 1.00 0.00 N ATOM 1255 CA ASN A 95 -5.581 -0.873 -14.394 1.00 0.00 C ATOM 1256 C ASN A 95 -6.988 -0.297 -14.416 1.00 0.00 C ATOM 1257 O ASN A 95 -7.203 0.826 -14.849 1.00 0.00 O ATOM 1258 CB ASN A 95 -5.483 -1.990 -15.447 1.00 0.00 C ATOM 1259 CG ASN A 95 -6.029 -1.478 -16.783 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -5.321 -0.618 -17.467 1.00 0.00 O flip ATOM 1261 ND2 ASN A 95 -7.100 -1.856 -17.216 1.00 0.00 N flip ATOM 0 H ASN A 95 -5.141 -2.453 -13.027 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.861 -0.084 -14.613 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.446 -2.306 -15.562 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.048 -2.863 -15.121 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.656 -2.527 -16.686 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.442 -1.502 -18.109 1.00 0.00 H new ATOM 1268 N HIS A 96 -7.927 -1.074 -13.938 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.325 -0.594 -13.921 1.00 0.00 C ATOM 1270 C HIS A 96 -9.436 0.685 -13.104 1.00 0.00 C ATOM 1271 O HIS A 96 -10.358 1.456 -13.277 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.200 -1.675 -13.270 1.00 0.00 C ATOM 1273 CG HIS A 96 -11.544 -1.742 -13.995 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -12.606 -1.236 -13.578 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -11.867 -2.338 -15.199 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -13.566 -1.444 -14.378 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -13.192 -2.143 -15.451 1.00 0.00 N ATOM 0 H HIS A 96 -7.780 -2.011 -13.564 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.651 -0.392 -14.941 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.699 -2.642 -13.318 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.354 -1.448 -12.215 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -11.180 -2.873 -15.838 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -14.574 -1.095 -14.210 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -13.750 -2.450 -16.248 1.00 0.00 H new ATOM 1285 N TYR A 97 -8.490 0.887 -12.225 1.00 0.00 N ATOM 1286 CA TYR A 97 -8.528 2.110 -11.389 1.00 0.00 C ATOM 1287 C TYR A 97 -7.731 3.233 -12.027 1.00 0.00 C ATOM 1288 O TYR A 97 -8.125 4.379 -11.972 1.00 0.00 O ATOM 1289 CB TYR A 97 -7.919 1.782 -10.025 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.032 1.318 -9.094 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.040 2.182 -8.735 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.053 0.027 -8.614 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.060 1.766 -7.910 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.072 -0.394 -7.788 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.084 0.472 -7.428 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.103 0.051 -6.596 1.00 0.00 O ATOM 0 H TYR A 97 -7.702 0.262 -12.055 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.563 2.437 -11.288 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.162 1.005 -10.126 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.422 2.660 -9.612 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.031 3.197 -9.104 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.265 -0.660 -8.887 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -11.846 2.455 -7.638 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.079 -1.409 -7.420 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.961 -0.888 -6.354 1.00 0.00 H new ATOM 1306 N ARG A 98 -6.626 2.892 -12.624 1.00 0.00 N ATOM 1307 CA ARG A 98 -5.812 3.934 -13.260 1.00 0.00 C ATOM 1308 C ARG A 98 -6.686 4.775 -14.170 1.00 0.00 C ATOM 1309 O ARG A 98 -6.508 5.971 -14.279 1.00 0.00 O ATOM 1310 CB ARG A 98 -4.727 3.249 -14.094 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.383 3.361 -13.363 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.373 2.402 -14.005 1.00 0.00 C ATOM 1313 NE ARG A 98 -2.055 2.885 -15.379 1.00 0.00 N ATOM 1314 CZ ARG A 98 -1.942 2.023 -16.354 1.00 0.00 C ATOM 1315 NH1 ARG A 98 -3.023 1.489 -16.853 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -0.750 1.722 -16.796 1.00 0.00 N ATOM 0 H ARG A 98 -6.262 1.942 -12.694 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.363 4.576 -12.502 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.982 2.201 -14.254 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.660 3.714 -15.077 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.013 4.385 -13.415 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.509 3.121 -12.307 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.465 2.352 -13.403 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.784 1.393 -14.046 1.00 0.00 H new ATOM 0 HE ARG A 98 -1.927 3.881 -15.557 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -3.937 1.747 -16.481 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.954 0.814 -17.615 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.073 2.158 -16.380 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.643 1.051 -17.557 1.00 0.00 H new ATOM 1330 N ASN A 99 -7.622 4.130 -14.810 1.00 0.00 N ATOM 1331 CA ASN A 99 -8.525 4.869 -15.719 1.00 0.00 C ATOM 1332 C ASN A 99 -9.612 5.589 -14.924 1.00 0.00 C ATOM 1333 O ASN A 99 -10.175 6.565 -15.382 1.00 0.00 O ATOM 1334 CB ASN A 99 -9.194 3.860 -16.656 1.00 0.00 C ATOM 1335 CG ASN A 99 -8.740 4.119 -18.094 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -7.605 3.870 -18.454 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -9.595 4.612 -18.948 1.00 0.00 N ATOM 0 H ASN A 99 -7.796 3.127 -14.740 1.00 0.00 H new ATOM 0 HA ASN A 99 -7.948 5.605 -16.279 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.934 2.844 -16.359 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.278 3.945 -16.585 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.310 4.787 -19.912 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.548 4.823 -18.652 1.00 0.00 H new ATOM 1344 N GLU A 100 -9.878 5.088 -13.737 1.00 0.00 N ATOM 1345 CA GLU A 100 -10.925 5.714 -12.875 1.00 0.00 C ATOM 1346 C GLU A 100 -10.317 6.346 -11.626 1.00 0.00 C ATOM 1347 O GLU A 100 -9.518 7.254 -11.719 1.00 0.00 O ATOM 1348 CB GLU A 100 -11.907 4.622 -12.441 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.526 3.993 -13.684 1.00 0.00 C ATOM 1350 CD GLU A 100 -13.958 3.552 -13.372 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -14.081 2.642 -12.569 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -14.847 4.151 -13.954 1.00 0.00 O ATOM 0 H GLU A 100 -9.414 4.275 -13.333 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.424 6.496 -13.447 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.391 3.864 -11.852 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.685 5.045 -11.805 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.525 4.709 -14.506 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.932 3.137 -14.006 1.00 0.00 H new ATOM 1359 N SER A 101 -10.697 5.835 -10.473 1.00 0.00 N ATOM 1360 CA SER A 101 -10.157 6.390 -9.201 1.00 0.00 C ATOM 1361 C SER A 101 -10.537 5.518 -8.033 1.00 0.00 C ATOM 1362 O SER A 101 -11.472 4.746 -8.114 1.00 0.00 O ATOM 1363 CB SER A 101 -10.802 7.755 -8.941 1.00 0.00 C ATOM 1364 OG SER A 101 -10.333 8.583 -9.988 1.00 0.00 O ATOM 0 H SER A 101 -11.354 5.062 -10.366 1.00 0.00 H new ATOM 0 HA SER A 101 -9.073 6.453 -9.296 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.890 7.686 -8.949 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.514 8.149 -7.966 1.00 0.00 H new ATOM 0 HG SER A 101 -9.590 8.139 -10.448 1.00 0.00 H new ATOM 1370 N LEU A 102 -9.815 5.668 -6.958 1.00 0.00 N ATOM 1371 CA LEU A 102 -10.115 4.860 -5.763 1.00 0.00 C ATOM 1372 C LEU A 102 -10.769 5.736 -4.727 1.00 0.00 C ATOM 1373 O LEU A 102 -10.119 6.560 -4.112 1.00 0.00 O ATOM 1374 CB LEU A 102 -8.813 4.311 -5.169 1.00 0.00 C ATOM 1375 CG LEU A 102 -8.086 3.466 -6.211 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -6.603 3.736 -6.098 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -8.336 1.983 -5.938 1.00 0.00 C ATOM 0 H LEU A 102 -9.033 6.316 -6.863 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.774 4.038 -6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.175 5.133 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.030 3.709 -4.287 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.449 3.719 -7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.067 3.139 -6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.411 4.794 -6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.260 3.470 -5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.815 1.383 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.966 1.728 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.405 1.779 -5.990 1.00 0.00 H new ATOM 1389 N ALA A 103 -12.048 5.594 -4.595 1.00 0.00 N ATOM 1390 CA ALA A 103 -12.769 6.410 -3.598 1.00 0.00 C ATOM 1391 C ALA A 103 -12.380 5.989 -2.176 1.00 0.00 C ATOM 1392 O ALA A 103 -13.216 5.913 -1.301 1.00 0.00 O ATOM 1393 CB ALA A 103 -14.279 6.188 -3.787 1.00 0.00 C ATOM 0 H ALA A 103 -12.625 4.949 -5.134 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.510 7.460 -3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -14.828 6.784 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -14.568 6.490 -4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -14.512 5.133 -3.643 1.00 0.00 H new ATOM 1399 N GLN A 104 -11.108 5.730 -1.977 1.00 0.00 N ATOM 1400 CA GLN A 104 -10.638 5.317 -0.650 1.00 0.00 C ATOM 1401 C GLN A 104 -11.513 4.204 -0.101 1.00 0.00 C ATOM 1402 O GLN A 104 -11.857 4.187 1.065 1.00 0.00 O ATOM 1403 CB GLN A 104 -10.676 6.535 0.287 1.00 0.00 C ATOM 1404 CG GLN A 104 -9.394 6.559 1.122 1.00 0.00 C ATOM 1405 CD GLN A 104 -8.271 7.210 0.312 1.00 0.00 C ATOM 1406 OE1 GLN A 104 -8.039 8.399 0.396 1.00 0.00 O ATOM 1407 NE2 GLN A 104 -7.550 6.466 -0.482 1.00 0.00 N ATOM 0 H GLN A 104 -10.384 5.792 -2.693 1.00 0.00 H new ATOM 0 HA GLN A 104 -9.618 4.940 -0.724 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -10.765 7.454 -0.293 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -11.549 6.483 0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -9.559 7.113 2.046 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -9.112 5.545 1.405 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -7.740 5.467 -0.557 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.796 6.884 -1.028 1.00 0.00 H new ATOM 1416 N TYR A 105 -11.847 3.283 -0.956 1.00 0.00 N ATOM 1417 CA TYR A 105 -12.699 2.154 -0.513 1.00 0.00 C ATOM 1418 C TYR A 105 -13.908 2.643 0.304 1.00 0.00 C ATOM 1419 O TYR A 105 -14.600 1.851 0.913 1.00 0.00 O ATOM 1420 CB TYR A 105 -11.844 1.236 0.375 1.00 0.00 C ATOM 1421 CG TYR A 105 -10.360 1.536 0.133 1.00 0.00 C ATOM 1422 CD1 TYR A 105 -9.818 1.424 -1.133 1.00 0.00 C ATOM 1423 CD2 TYR A 105 -9.544 1.924 1.177 1.00 0.00 C ATOM 1424 CE1 TYR A 105 -8.482 1.695 -1.351 1.00 0.00 C ATOM 1425 CE2 TYR A 105 -8.209 2.195 0.959 1.00 0.00 C ATOM 1426 CZ TYR A 105 -7.666 2.083 -0.306 1.00 0.00 C ATOM 1427 OH TYR A 105 -6.329 2.353 -0.522 1.00 0.00 O ATOM 0 H TYR A 105 -11.568 3.264 -1.937 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.074 1.630 -1.392 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -12.092 1.392 1.425 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -12.057 0.191 0.149 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -10.445 1.122 -1.959 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.954 2.016 2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.072 1.603 -2.346 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.583 2.498 1.785 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.102 3.220 -0.126 1.00 0.00 H new ATOM 1437 N ASN A 106 -14.144 3.939 0.303 1.00 0.00 N ATOM 1438 CA ASN A 106 -15.306 4.469 1.081 1.00 0.00 C ATOM 1439 C ASN A 106 -15.768 5.866 0.535 1.00 0.00 C ATOM 1440 O ASN A 106 -14.941 6.679 0.174 1.00 0.00 O ATOM 1441 CB ASN A 106 -14.846 4.648 2.540 1.00 0.00 C ATOM 1442 CG ASN A 106 -15.976 4.241 3.491 1.00 0.00 C ATOM 1443 OD1 ASN A 106 -16.724 5.070 3.973 1.00 0.00 O ATOM 1444 ND2 ASN A 106 -16.133 2.980 3.790 1.00 0.00 N ATOM 0 H ASN A 106 -13.591 4.637 -0.194 1.00 0.00 H new ATOM 0 HA ASN A 106 -16.140 3.773 0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.961 4.040 2.730 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.564 5.686 2.718 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.879 2.695 4.424 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.509 2.279 3.389 1.00 0.00 H new ATOM 1451 N PRO A 107 -17.099 6.122 0.493 1.00 0.00 N ATOM 1452 CA PRO A 107 -17.624 7.412 -0.008 1.00 0.00 C ATOM 1453 C PRO A 107 -17.145 8.616 0.835 1.00 0.00 C ATOM 1454 O PRO A 107 -16.149 8.532 1.520 1.00 0.00 O ATOM 1455 CB PRO A 107 -19.165 7.281 0.112 1.00 0.00 C ATOM 1456 CG PRO A 107 -19.468 5.917 0.795 1.00 0.00 C ATOM 1457 CD PRO A 107 -18.141 5.157 0.912 1.00 0.00 C ATOM 0 HA PRO A 107 -17.276 7.599 -1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -19.575 8.103 0.699 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -19.631 7.329 -0.872 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -19.910 6.071 1.779 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -20.187 5.345 0.208 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -17.972 4.815 1.933 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -18.137 4.273 0.275 1.00 0.00 H new ATOM 1465 N LYS A 108 -17.892 9.717 0.739 1.00 0.00 N ATOM 1466 CA LYS A 108 -17.564 10.964 1.490 1.00 0.00 C ATOM 1467 C LYS A 108 -16.293 11.626 0.978 1.00 0.00 C ATOM 1468 O LYS A 108 -16.171 12.836 0.991 1.00 0.00 O ATOM 1469 CB LYS A 108 -17.406 10.629 2.973 1.00 0.00 C ATOM 1470 CG LYS A 108 -18.595 9.772 3.426 1.00 0.00 C ATOM 1471 CD LYS A 108 -19.213 10.396 4.679 1.00 0.00 C ATOM 1472 CE LYS A 108 -20.430 9.572 5.107 1.00 0.00 C ATOM 1473 NZ LYS A 108 -21.342 10.398 5.947 1.00 0.00 N ATOM 0 H LYS A 108 -18.726 9.787 0.156 1.00 0.00 H new ATOM 0 HA LYS A 108 -18.382 11.669 1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -16.472 10.093 3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -17.357 11.545 3.562 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -19.338 9.710 2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -18.267 8.754 3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -18.479 10.426 5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -19.509 11.426 4.478 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -20.962 9.211 4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -20.105 8.694 5.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -22.164 9.828 6.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -20.835 10.721 6.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -21.665 11.223 5.402 1.00 0.00 H new ATOM 1487 N LEU A 109 -15.379 10.834 0.542 1.00 0.00 N ATOM 1488 CA LEU A 109 -14.110 11.399 0.026 1.00 0.00 C ATOM 1489 C LEU A 109 -13.523 10.480 -1.033 1.00 0.00 C ATOM 1490 O LEU A 109 -13.909 9.332 -1.135 1.00 0.00 O ATOM 1491 CB LEU A 109 -13.121 11.528 1.196 1.00 0.00 C ATOM 1492 CG LEU A 109 -12.834 10.143 1.768 1.00 0.00 C ATOM 1493 CD1 LEU A 109 -11.430 9.708 1.346 1.00 0.00 C ATOM 1494 CD2 LEU A 109 -12.907 10.203 3.298 1.00 0.00 C ATOM 0 H LEU A 109 -15.448 9.817 0.517 1.00 0.00 H new ATOM 0 HA LEU A 109 -14.297 12.375 -0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -12.196 11.992 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -13.537 12.174 1.969 1.00 0.00 H new ATOM 0 HG LEU A 109 -13.569 9.430 1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -11.218 8.719 1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -11.371 9.674 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -10.698 10.420 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -12.703 9.215 3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -12.167 10.912 3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -13.903 10.524 3.602 1.00 0.00 H new ATOM 1506 N ASP A 110 -12.603 10.988 -1.810 1.00 0.00 N ATOM 1507 CA ASP A 110 -12.005 10.124 -2.856 1.00 0.00 C ATOM 1508 C ASP A 110 -10.722 10.712 -3.424 1.00 0.00 C ATOM 1509 O ASP A 110 -10.513 11.908 -3.393 1.00 0.00 O ATOM 1510 CB ASP A 110 -13.022 9.986 -3.999 1.00 0.00 C ATOM 1511 CG ASP A 110 -13.502 11.377 -4.414 1.00 0.00 C ATOM 1512 OD1 ASP A 110 -12.731 12.034 -5.094 1.00 0.00 O ATOM 1513 OD2 ASP A 110 -14.612 11.703 -4.030 1.00 0.00 O ATOM 0 H ASP A 110 -12.249 11.944 -1.765 1.00 0.00 H new ATOM 0 HA ASP A 110 -11.762 9.162 -2.405 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -12.566 9.477 -4.848 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -13.867 9.377 -3.678 1.00 0.00 H new ATOM 1518 N VAL A 111 -9.884 9.845 -3.938 1.00 0.00 N ATOM 1519 CA VAL A 111 -8.603 10.315 -4.519 1.00 0.00 C ATOM 1520 C VAL A 111 -8.242 9.496 -5.756 1.00 0.00 C ATOM 1521 O VAL A 111 -8.688 8.374 -5.912 1.00 0.00 O ATOM 1522 CB VAL A 111 -7.483 10.132 -3.477 1.00 0.00 C ATOM 1523 CG1 VAL A 111 -6.427 11.224 -3.677 1.00 0.00 C ATOM 1524 CG2 VAL A 111 -8.067 10.247 -2.067 1.00 0.00 C ATOM 0 H VAL A 111 -10.037 8.837 -3.977 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.710 11.363 -4.797 1.00 0.00 H new ATOM 0 HB VAL A 111 -7.028 9.149 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.631 11.100 -2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.009 11.147 -4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -6.888 12.204 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.272 10.117 -1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -8.521 11.230 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.824 9.476 -1.923 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.436 10.078 -6.608 1.00 0.00 N ATOM 1535 CA LYS A 112 -7.018 9.367 -7.851 1.00 0.00 C ATOM 1536 C LYS A 112 -5.504 9.227 -7.879 1.00 0.00 C ATOM 1537 O LYS A 112 -4.800 10.152 -7.521 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.454 10.203 -9.069 1.00 0.00 C ATOM 1539 CG LYS A 112 -8.856 10.780 -8.817 1.00 0.00 C ATOM 1540 CD LYS A 112 -8.743 12.239 -8.347 1.00 0.00 C ATOM 1541 CE LYS A 112 -8.637 13.157 -9.571 1.00 0.00 C ATOM 1542 NZ LYS A 112 -9.862 13.047 -10.415 1.00 0.00 N ATOM 0 H LYS A 112 -7.050 11.015 -6.495 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.478 8.379 -7.877 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.743 11.010 -9.243 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.459 9.584 -9.966 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.450 10.727 -9.729 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -9.374 10.185 -8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.613 12.509 -7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.868 12.361 -7.709 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.502 14.189 -9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.759 12.890 -10.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -10.031 13.951 -10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.731 12.294 -11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.679 12.819 -9.813 1.00 0.00 H new ATOM 1556 N LEU A 113 -5.026 8.069 -8.305 1.00 0.00 N ATOM 1557 CA LEU A 113 -3.548 7.862 -8.357 1.00 0.00 C ATOM 1558 C LEU A 113 -3.050 7.711 -9.807 1.00 0.00 C ATOM 1559 O LEU A 113 -2.606 6.678 -10.224 1.00 0.00 O ATOM 1560 CB LEU A 113 -3.182 6.617 -7.456 1.00 0.00 C ATOM 1561 CG LEU A 113 -3.414 5.232 -8.153 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -3.414 4.139 -7.070 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.763 5.196 -8.892 1.00 0.00 C ATOM 0 H LEU A 113 -5.592 7.277 -8.612 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.037 8.740 -7.962 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.136 6.692 -7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.776 6.656 -6.543 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.620 5.069 -8.881 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.574 3.166 -7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.455 4.140 -6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.213 4.335 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.893 4.222 -9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.572 5.366 -8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.781 5.975 -9.655 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.146 8.785 -10.548 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.692 8.747 -11.963 1.00 0.00 C ATOM 1577 C LEU A 114 -1.291 9.324 -12.082 1.00 0.00 C ATOM 1578 O LEU A 114 -0.947 9.939 -13.073 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.659 9.596 -12.801 1.00 0.00 C ATOM 1580 CG LEU A 114 -5.091 9.261 -12.381 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -6.075 9.945 -13.329 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -5.294 7.749 -12.462 1.00 0.00 C ATOM 0 H LEU A 114 -3.518 9.681 -10.233 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.678 7.716 -12.316 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.459 10.657 -12.651 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.519 9.393 -13.863 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.262 9.608 -11.362 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.095 9.706 -13.029 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.929 11.024 -13.289 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.904 9.593 -14.346 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.313 7.502 -12.164 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.124 7.413 -13.485 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.590 7.251 -11.795 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.508 9.109 -11.058 1.00 0.00 N ATOM 1595 CA TYR A 115 0.880 9.624 -11.066 1.00 0.00 C ATOM 1596 C TYR A 115 1.823 8.612 -10.419 1.00 0.00 C ATOM 1597 O TYR A 115 2.322 8.824 -9.331 1.00 0.00 O ATOM 1598 CB TYR A 115 0.899 10.923 -10.250 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.384 11.691 -10.537 1.00 0.00 C ATOM 1600 CD1 TYR A 115 -0.464 12.535 -11.621 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -1.489 11.532 -9.729 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -1.635 13.209 -11.896 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -2.659 12.204 -10.001 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.742 13.050 -11.088 1.00 0.00 C ATOM 1605 OH TYR A 115 -3.911 13.730 -11.357 1.00 0.00 O ATOM 0 H TYR A 115 -0.776 8.597 -10.218 1.00 0.00 H new ATOM 0 HA TYR A 115 1.208 9.799 -12.091 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.978 10.701 -9.186 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.768 11.525 -10.515 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.396 12.670 -12.260 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.436 10.874 -8.874 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -1.686 13.867 -12.751 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.517 12.068 -9.360 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.587 13.497 -10.686 1.00 0.00 H new ATOM 1615 N PRO A 116 2.051 7.515 -11.112 1.00 0.00 N ATOM 1616 CA PRO A 116 2.927 6.469 -10.611 1.00 0.00 C ATOM 1617 C PRO A 116 4.382 6.881 -10.732 1.00 0.00 C ATOM 1618 O PRO A 116 4.689 7.900 -11.323 1.00 0.00 O ATOM 1619 CB PRO A 116 2.667 5.274 -11.539 1.00 0.00 C ATOM 1620 CG PRO A 116 1.836 5.799 -12.752 1.00 0.00 C ATOM 1621 CD PRO A 116 1.468 7.256 -12.445 1.00 0.00 C ATOM 0 HA PRO A 116 2.736 6.252 -9.560 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.607 4.839 -11.877 1.00 0.00 H new ATOM 0 HB3 PRO A 116 2.124 4.490 -11.012 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.415 5.733 -13.673 1.00 0.00 H new ATOM 0 HG3 PRO A 116 0.939 5.196 -12.895 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.876 7.934 -13.195 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.387 7.399 -12.440 1.00 0.00 H new ATOM 1629 N VAL A 117 5.249 6.091 -10.166 1.00 0.00 N ATOM 1630 CA VAL A 117 6.693 6.417 -10.238 1.00 0.00 C ATOM 1631 C VAL A 117 7.486 5.175 -10.593 1.00 0.00 C ATOM 1632 O VAL A 117 7.142 4.085 -10.191 1.00 0.00 O ATOM 1633 CB VAL A 117 7.153 6.934 -8.873 1.00 0.00 C ATOM 1634 CG1 VAL A 117 6.814 8.421 -8.767 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.426 6.169 -7.771 1.00 0.00 C ATOM 0 H VAL A 117 5.018 5.237 -9.659 1.00 0.00 H new ATOM 0 HA VAL A 117 6.856 7.177 -11.003 1.00 0.00 H new ATOM 0 HB VAL A 117 8.228 6.790 -8.765 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.138 8.800 -7.798 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.325 8.968 -9.559 1.00 0.00 H new ATOM 0 HG13 VAL A 117 5.737 8.557 -8.868 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.752 6.536 -6.798 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.351 6.318 -7.873 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.655 5.107 -7.854 1.00 0.00 H new ATOM 1645 N SER A 118 8.522 5.353 -11.361 1.00 0.00 N ATOM 1646 CA SER A 118 9.342 4.184 -11.748 1.00 0.00 C ATOM 1647 C SER A 118 10.592 4.612 -12.486 1.00 0.00 C ATOM 1648 O SER A 118 11.077 5.713 -12.313 1.00 0.00 O ATOM 1649 CB SER A 118 8.519 3.296 -12.679 1.00 0.00 C ATOM 1650 OG SER A 118 9.020 1.987 -12.445 1.00 0.00 O ATOM 0 H SER A 118 8.832 6.251 -11.733 1.00 0.00 H new ATOM 0 HA SER A 118 9.632 3.651 -10.842 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.455 3.361 -12.454 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.643 3.589 -13.721 1.00 0.00 H new ATOM 0 HG SER A 118 8.275 1.383 -12.241 1.00 0.00 H new ATOM 1656 N LYS A 119 11.088 3.723 -13.299 1.00 0.00 N ATOM 1657 CA LYS A 119 12.313 4.027 -14.077 1.00 0.00 C ATOM 1658 C LYS A 119 12.128 3.621 -15.534 1.00 0.00 C ATOM 1659 O LYS A 119 13.073 3.572 -16.293 1.00 0.00 O ATOM 1660 CB LYS A 119 13.478 3.210 -13.479 1.00 0.00 C ATOM 1661 CG LYS A 119 13.572 3.474 -11.961 1.00 0.00 C ATOM 1662 CD LYS A 119 14.025 4.923 -11.708 1.00 0.00 C ATOM 1663 CE LYS A 119 15.173 4.919 -10.698 1.00 0.00 C ATOM 1664 NZ LYS A 119 15.574 6.312 -10.360 1.00 0.00 N ATOM 0 H LYS A 119 10.694 2.796 -13.457 1.00 0.00 H new ATOM 0 HA LYS A 119 12.519 5.096 -14.030 1.00 0.00 H new ATOM 0 HB2 LYS A 119 13.322 2.147 -13.664 1.00 0.00 H new ATOM 0 HB3 LYS A 119 14.415 3.485 -13.964 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.604 3.299 -11.492 1.00 0.00 H new ATOM 0 HG3 LYS A 119 14.277 2.779 -11.505 1.00 0.00 H new ATOM 0 HD2 LYS A 119 14.347 5.385 -12.641 1.00 0.00 H new ATOM 0 HD3 LYS A 119 13.193 5.516 -11.329 1.00 0.00 H new ATOM 0 HE2 LYS A 119 14.868 4.392 -9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 119 16.025 4.378 -11.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 16.355 6.292 -9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 15.885 6.803 -11.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 14.763 6.816 -9.948 1.00 0.00 H new ATOM 1678 N TYR A 120 10.906 3.340 -15.894 1.00 0.00 N ATOM 1679 CA TYR A 120 10.630 2.936 -17.287 1.00 0.00 C ATOM 1680 C TYR A 120 10.796 4.113 -18.239 1.00 0.00 C ATOM 1681 O TYR A 120 10.866 5.218 -17.726 1.00 0.00 O ATOM 1682 CB TYR A 120 9.186 2.442 -17.353 1.00 0.00 C ATOM 1683 CG TYR A 120 9.173 0.911 -17.361 1.00 0.00 C ATOM 1684 CD1 TYR A 120 9.800 0.201 -16.356 1.00 0.00 C ATOM 1685 CD2 TYR A 120 8.540 0.219 -18.373 1.00 0.00 C ATOM 1686 CE1 TYR A 120 9.793 -1.177 -16.364 1.00 0.00 C ATOM 1687 CE2 TYR A 120 8.534 -1.161 -18.379 1.00 0.00 C ATOM 1688 CZ TYR A 120 9.160 -1.870 -17.375 1.00 0.00 C ATOM 1689 OH TYR A 120 9.154 -3.249 -17.383 1.00 0.00 O ATOM 1690 OXT TYR A 120 10.846 3.845 -19.428 1.00 0.00 O ATOM 0 H TYR A 120 10.093 3.375 -15.280 1.00 0.00 H new ATOM 0 HA TYR A 120 11.331 2.156 -17.584 1.00 0.00 H new ATOM 0 HB2 TYR A 120 8.622 2.817 -16.499 1.00 0.00 H new ATOM 0 HB3 TYR A 120 8.699 2.826 -18.250 1.00 0.00 H new ATOM 0 HD1 TYR A 120 10.300 0.730 -15.558 1.00 0.00 H new ATOM 0 HD2 TYR A 120 8.046 0.761 -19.166 1.00 0.00 H new ATOM 0 HE1 TYR A 120 10.288 -1.719 -15.572 1.00 0.00 H new ATOM 0 HE2 TYR A 120 8.035 -1.691 -19.177 1.00 0.00 H new ATOM 0 HH TYR A 120 8.662 -3.569 -18.167 1.00 0.00 H new TER 1700 TYR A 120