USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=24 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 97 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 104 GLN : amide:sc= -0.571 X(o=-0.57,f=-0.23) USER MOD Set 2.1: A 60 THR OG1 : rot 180:sc= -0.258 USER MOD Set 2.2: A 67 ASN : amide:sc= -2.78! C(o=-3!,f=-6!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 71:sc= -2.21! USER MOD Single : A 28 SER OG : rot 180:sc= -0.29 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=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 -136:sc= -0.351 USER MOD Single : A 50 SER OG : rot 62:sc= -4.3! USER MOD Single : A 51 THR OG1 : rot -76:sc= 1.05 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HE2:sc= 0.0286 X(o=0.029,f=-0.15) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 32:sc= 0.31 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.128 F(o=-2.2!,f=-0.13) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -9.24! C(o=-9.2!,f=-14!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -167:sc= 0.972 USER MOD Single : A 82 SER OG : rot 180:sc= -0.256 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -6.63! C(o=-7.2!,f=-6.6!) USER MOD Single : A 89 SER OG : rot 165:sc= 1.11 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc=-6.46e-06 X(o=-6.5e-06,f=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 78:sc= 0.416 USER MOD Single : A 105 TYR OH : rot 38:sc= 1.2 USER MOD Single : A 106 ASN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 68:sc= 0.286 USER MOD Single : A 119 LYS NZ :NH3+ 176:sc= -0.435 (180deg=-0.647) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.500 -9.186 -14.798 1.00 0.00 N ATOM 2 CA LEU A 17 2.439 -8.431 -13.941 1.00 0.00 C ATOM 3 C LEU A 17 3.850 -8.968 -14.111 1.00 0.00 C ATOM 4 O LEU A 17 4.515 -9.291 -13.147 1.00 0.00 O ATOM 5 CB LEU A 17 2.037 -8.574 -12.474 1.00 0.00 C ATOM 6 CG LEU A 17 2.781 -7.527 -11.645 1.00 0.00 C ATOM 7 CD1 LEU A 17 1.957 -6.245 -11.589 1.00 0.00 C ATOM 8 CD2 LEU A 17 2.971 -8.057 -10.232 1.00 0.00 C ATOM 0 HA LEU A 17 2.406 -7.382 -14.235 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.960 -8.444 -12.365 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.275 -9.575 -12.115 1.00 0.00 H new ATOM 0 HG LEU A 17 3.750 -7.320 -12.100 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.487 -5.498 -10.998 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.804 -5.867 -12.600 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.991 -6.453 -11.129 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.501 -7.316 -9.634 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.997 -8.256 -9.784 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.551 -8.979 -10.264 1.00 0.00 H new ATOM 22 N GLN A 18 4.283 -9.054 -15.336 1.00 0.00 N ATOM 23 CA GLN A 18 5.650 -9.565 -15.585 1.00 0.00 C ATOM 24 C GLN A 18 6.665 -8.568 -15.072 1.00 0.00 C ATOM 25 O GLN A 18 7.797 -8.903 -14.792 1.00 0.00 O ATOM 26 CB GLN A 18 5.841 -9.732 -17.103 1.00 0.00 C ATOM 27 CG GLN A 18 4.697 -10.575 -17.667 1.00 0.00 C ATOM 28 CD GLN A 18 4.997 -10.921 -19.129 1.00 0.00 C ATOM 29 OE1 GLN A 18 4.472 -10.314 -20.042 1.00 0.00 O ATOM 30 NE2 GLN A 18 5.837 -11.885 -19.395 1.00 0.00 N ATOM 0 H GLN A 18 3.752 -8.794 -16.167 1.00 0.00 H new ATOM 0 HA GLN A 18 5.786 -10.519 -15.075 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.862 -8.756 -17.588 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.798 -10.212 -17.310 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.579 -11.487 -17.082 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.757 -10.027 -17.596 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.281 -12.399 -18.634 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.049 -12.124 -20.364 1.00 0.00 H new ATOM 39 N ASP A 19 6.225 -7.353 -14.963 1.00 0.00 N ATOM 40 CA ASP A 19 7.111 -6.287 -14.476 1.00 0.00 C ATOM 41 C ASP A 19 6.292 -5.076 -14.082 1.00 0.00 C ATOM 42 O ASP A 19 6.726 -4.242 -13.312 1.00 0.00 O ATOM 43 CB ASP A 19 8.037 -5.896 -15.614 1.00 0.00 C ATOM 44 CG ASP A 19 9.494 -6.010 -15.159 1.00 0.00 C ATOM 45 OD1 ASP A 19 9.806 -5.367 -14.171 1.00 0.00 O ATOM 46 OD2 ASP A 19 10.213 -6.733 -15.829 1.00 0.00 O ATOM 0 H ASP A 19 5.277 -7.056 -15.195 1.00 0.00 H new ATOM 0 HA ASP A 19 7.674 -6.637 -13.611 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.864 -6.542 -16.475 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.825 -4.876 -15.933 1.00 0.00 H new ATOM 51 N ALA A 20 5.117 -5.003 -14.630 1.00 0.00 N ATOM 52 CA ALA A 20 4.224 -3.857 -14.317 1.00 0.00 C ATOM 53 C ALA A 20 4.883 -2.522 -14.682 1.00 0.00 C ATOM 54 O ALA A 20 5.822 -2.485 -15.454 1.00 0.00 O ATOM 55 CB ALA A 20 3.940 -3.876 -12.812 1.00 0.00 C ATOM 0 H ALA A 20 4.734 -5.687 -15.282 1.00 0.00 H new ATOM 0 HA ALA A 20 3.306 -3.952 -14.897 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.285 -3.043 -12.555 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.455 -4.815 -12.545 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.877 -3.783 -12.264 1.00 0.00 H new ATOM 61 N GLU A 21 4.370 -1.447 -14.118 1.00 0.00 N ATOM 62 CA GLU A 21 4.952 -0.106 -14.417 1.00 0.00 C ATOM 63 C GLU A 21 5.058 0.751 -13.154 1.00 0.00 C ATOM 64 O GLU A 21 5.926 1.589 -13.050 1.00 0.00 O ATOM 65 CB GLU A 21 4.033 0.611 -15.424 1.00 0.00 C ATOM 66 CG GLU A 21 3.659 -0.364 -16.542 1.00 0.00 C ATOM 67 CD GLU A 21 3.004 0.409 -17.692 1.00 0.00 C ATOM 68 OE1 GLU A 21 3.571 1.428 -18.052 1.00 0.00 O ATOM 69 OE2 GLU A 21 1.976 -0.065 -18.147 1.00 0.00 O ATOM 0 H GLU A 21 3.581 -1.446 -13.471 1.00 0.00 H new ATOM 0 HA GLU A 21 5.954 -0.245 -14.823 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.135 0.971 -14.923 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.538 1.483 -15.839 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.548 -0.884 -16.899 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.975 -1.124 -16.164 1.00 0.00 H new ATOM 76 N TRP A 22 4.174 0.527 -12.217 1.00 0.00 N ATOM 77 CA TRP A 22 4.223 1.329 -10.962 1.00 0.00 C ATOM 78 C TRP A 22 5.037 0.621 -9.892 1.00 0.00 C ATOM 79 O TRP A 22 5.448 1.217 -8.915 1.00 0.00 O ATOM 80 CB TRP A 22 2.796 1.514 -10.461 1.00 0.00 C ATOM 81 CG TRP A 22 1.836 1.075 -11.568 1.00 0.00 C ATOM 82 CD1 TRP A 22 1.390 1.883 -12.498 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.406 -0.156 -11.761 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.654 1.087 -13.296 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.613 -0.233 -12.892 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.633 -1.290 -11.014 1.00 0.00 C ATOM 87 CZ2 TRP A 22 0.062 -1.444 -13.265 1.00 0.00 C ATOM 88 CZ3 TRP A 22 1.080 -2.489 -11.386 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.297 -2.568 -12.508 1.00 0.00 C ATOM 0 H TRP A 22 3.429 -0.168 -12.266 1.00 0.00 H new ATOM 0 HA TRP A 22 4.695 2.289 -11.170 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.631 0.924 -9.560 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.619 2.556 -10.196 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.571 2.943 -12.601 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.169 1.429 -14.126 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.250 -1.235 -10.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.553 -1.508 -14.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.262 -3.373 -10.793 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.136 -3.514 -12.798 1.00 0.00 H new ATOM 100 N TYR A 23 5.252 -0.641 -10.100 1.00 0.00 N ATOM 101 CA TYR A 23 6.037 -1.430 -9.119 1.00 0.00 C ATOM 102 C TYR A 23 7.511 -1.393 -9.492 1.00 0.00 C ATOM 103 O TYR A 23 7.868 -1.560 -10.641 1.00 0.00 O ATOM 104 CB TYR A 23 5.531 -2.886 -9.170 1.00 0.00 C ATOM 105 CG TYR A 23 4.259 -3.054 -8.295 1.00 0.00 C ATOM 106 CD1 TYR A 23 3.426 -1.974 -7.983 1.00 0.00 C ATOM 107 CD2 TYR A 23 3.918 -4.303 -7.820 1.00 0.00 C ATOM 108 CE1 TYR A 23 2.295 -2.162 -7.221 1.00 0.00 C ATOM 109 CE2 TYR A 23 2.783 -4.479 -7.057 1.00 0.00 C ATOM 110 CZ TYR A 23 1.966 -3.417 -6.753 1.00 0.00 C ATOM 111 OH TYR A 23 0.840 -3.607 -5.987 1.00 0.00 O ATOM 0 H TYR A 23 4.917 -1.163 -10.910 1.00 0.00 H new ATOM 0 HA TYR A 23 5.918 -1.017 -8.118 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.309 -3.164 -10.200 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.312 -3.561 -8.819 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.672 -0.986 -8.343 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.546 -5.152 -8.048 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.660 -1.320 -6.988 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.533 -5.465 -6.694 1.00 0.00 H new ATOM 0 HH TYR A 23 0.042 -3.505 -6.547 1.00 0.00 H new ATOM 121 N TRP A 24 8.341 -1.170 -8.518 1.00 0.00 N ATOM 122 CA TRP A 24 9.795 -1.114 -8.798 1.00 0.00 C ATOM 123 C TRP A 24 10.413 -2.487 -8.671 1.00 0.00 C ATOM 124 O TRP A 24 11.448 -2.767 -9.245 1.00 0.00 O ATOM 125 CB TRP A 24 10.463 -0.218 -7.741 1.00 0.00 C ATOM 126 CG TRP A 24 10.088 1.271 -7.948 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.864 1.707 -8.249 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.932 2.288 -7.827 1.00 0.00 C ATOM 129 NE1 TRP A 24 9.000 3.035 -8.308 1.00 0.00 N ATOM 130 CE2 TRP A 24 10.274 3.487 -8.054 1.00 0.00 C ATOM 131 CE3 TRP A 24 12.296 2.317 -7.529 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.949 4.679 -7.988 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.965 3.520 -7.466 1.00 0.00 C ATOM 134 CH2 TRP A 24 12.294 4.696 -7.696 1.00 0.00 C ATOM 0 H TRP A 24 8.076 -1.025 -7.544 1.00 0.00 H new ATOM 0 HA TRP A 24 9.940 -0.731 -9.808 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.157 -0.537 -6.745 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.546 -0.334 -7.795 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.970 1.122 -8.408 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.224 3.661 -8.523 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.828 1.395 -7.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.424 5.606 -8.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 14.020 3.538 -7.235 1.00 0.00 H new ATOM 0 HH2 TRP A 24 12.823 5.636 -7.648 1.00 0.00 H new ATOM 145 N GLY A 25 9.756 -3.315 -7.920 1.00 0.00 N ATOM 146 CA GLY A 25 10.258 -4.694 -7.706 1.00 0.00 C ATOM 147 C GLY A 25 10.548 -4.868 -6.223 1.00 0.00 C ATOM 148 O GLY A 25 11.405 -5.633 -5.830 1.00 0.00 O ATOM 0 H GLY A 25 8.884 -3.094 -7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.519 -5.423 -8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.160 -4.866 -8.293 1.00 0.00 H new ATOM 152 N ASP A 26 9.812 -4.136 -5.432 1.00 0.00 N ATOM 153 CA ASP A 26 9.984 -4.200 -3.954 1.00 0.00 C ATOM 154 C ASP A 26 11.288 -3.539 -3.524 1.00 0.00 C ATOM 155 O ASP A 26 12.353 -3.872 -4.014 1.00 0.00 O ATOM 156 CB ASP A 26 9.991 -5.682 -3.504 1.00 0.00 C ATOM 157 CG ASP A 26 11.390 -6.070 -3.023 1.00 0.00 C ATOM 158 OD1 ASP A 26 11.720 -5.652 -1.926 1.00 0.00 O ATOM 159 OD2 ASP A 26 12.048 -6.766 -3.779 1.00 0.00 O ATOM 0 H ASP A 26 9.091 -3.489 -5.751 1.00 0.00 H new ATOM 0 HA ASP A 26 9.156 -3.666 -3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.266 -5.832 -2.704 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.690 -6.324 -4.331 1.00 0.00 H new ATOM 164 N ILE A 27 11.174 -2.587 -2.625 1.00 0.00 N ATOM 165 CA ILE A 27 12.396 -1.885 -2.141 1.00 0.00 C ATOM 166 C ILE A 27 12.322 -1.656 -0.627 1.00 0.00 C ATOM 167 O ILE A 27 12.143 -2.588 0.131 1.00 0.00 O ATOM 168 CB ILE A 27 12.531 -0.521 -2.854 1.00 0.00 C ATOM 169 CG1 ILE A 27 11.238 0.337 -2.684 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.832 -0.770 -4.357 1.00 0.00 C ATOM 171 CD1 ILE A 27 10.226 0.100 -3.818 1.00 0.00 C ATOM 0 H ILE A 27 10.296 -2.272 -2.213 1.00 0.00 H new ATOM 0 HA ILE A 27 13.262 -2.507 -2.364 1.00 0.00 H new ATOM 0 HB ILE A 27 13.350 0.039 -2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.771 0.100 -1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.507 1.393 -2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.930 0.186 -4.872 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.762 -1.331 -4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 27 12.016 -1.340 -4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.344 0.719 -3.654 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.681 0.362 -4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.934 -0.950 -3.832 1.00 0.00 H new ATOM 183 N SER A 28 12.460 -0.423 -0.215 1.00 0.00 N ATOM 184 CA SER A 28 12.399 -0.127 1.231 1.00 0.00 C ATOM 185 C SER A 28 11.979 1.317 1.465 1.00 0.00 C ATOM 186 O SER A 28 11.717 2.050 0.532 1.00 0.00 O ATOM 187 CB SER A 28 13.798 -0.337 1.821 1.00 0.00 C ATOM 188 OG SER A 28 14.565 -0.811 0.725 1.00 0.00 O ATOM 0 H SER A 28 12.611 0.383 -0.821 1.00 0.00 H new ATOM 0 HA SER A 28 11.670 -0.785 1.704 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.206 0.591 2.222 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.782 -1.058 2.639 1.00 0.00 H new ATOM 0 HG SER A 28 15.487 -0.972 1.016 1.00 0.00 H new ATOM 194 N ARG A 29 11.920 1.697 2.706 1.00 0.00 N ATOM 195 CA ARG A 29 11.521 3.083 3.023 1.00 0.00 C ATOM 196 C ARG A 29 12.564 4.061 2.537 1.00 0.00 C ATOM 197 O ARG A 29 12.278 5.210 2.288 1.00 0.00 O ATOM 198 CB ARG A 29 11.403 3.209 4.531 1.00 0.00 C ATOM 199 CG ARG A 29 12.269 2.139 5.184 1.00 0.00 C ATOM 200 CD ARG A 29 12.492 2.515 6.621 1.00 0.00 C ATOM 201 NE ARG A 29 13.376 1.494 7.254 1.00 0.00 N ATOM 202 CZ ARG A 29 13.708 1.620 8.509 1.00 0.00 C ATOM 203 NH1 ARG A 29 14.038 2.798 8.959 1.00 0.00 N ATOM 204 NH2 ARG A 29 13.699 0.561 9.271 1.00 0.00 N ATOM 0 H ARG A 29 12.131 1.107 3.511 1.00 0.00 H new ATOM 0 HA ARG A 29 10.573 3.306 2.533 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.722 4.200 4.853 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.364 3.093 4.839 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.782 1.166 5.119 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.223 2.054 4.663 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.949 3.502 6.686 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.540 2.569 7.149 1.00 0.00 H new ATOM 0 HE ARG A 29 13.719 0.703 6.709 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.034 3.603 8.332 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.300 2.915 9.938 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.436 -0.345 8.883 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.955 0.639 10.255 1.00 0.00 H new ATOM 218 N GLU A 30 13.758 3.589 2.404 1.00 0.00 N ATOM 219 CA GLU A 30 14.836 4.478 1.935 1.00 0.00 C ATOM 220 C GLU A 30 14.563 4.950 0.515 1.00 0.00 C ATOM 221 O GLU A 30 14.612 6.126 0.239 1.00 0.00 O ATOM 222 CB GLU A 30 16.156 3.698 1.962 1.00 0.00 C ATOM 223 CG GLU A 30 16.347 3.096 3.356 1.00 0.00 C ATOM 224 CD GLU A 30 17.824 2.745 3.561 1.00 0.00 C ATOM 225 OE1 GLU A 30 18.497 2.616 2.550 1.00 0.00 O ATOM 226 OE2 GLU A 30 18.197 2.628 4.717 1.00 0.00 O ATOM 0 H GLU A 30 14.035 2.627 2.599 1.00 0.00 H new ATOM 0 HA GLU A 30 14.891 5.351 2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 30 16.144 2.910 1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.989 4.358 1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 30 16.021 3.804 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.731 2.203 3.466 1.00 0.00 H new ATOM 233 N GLU A 31 14.271 4.026 -0.360 1.00 0.00 N ATOM 234 CA GLU A 31 13.993 4.421 -1.761 1.00 0.00 C ATOM 235 C GLU A 31 12.598 5.009 -1.871 1.00 0.00 C ATOM 236 O GLU A 31 12.418 6.117 -2.343 1.00 0.00 O ATOM 237 CB GLU A 31 14.077 3.166 -2.638 1.00 0.00 C ATOM 238 CG GLU A 31 15.542 2.768 -2.801 1.00 0.00 C ATOM 239 CD GLU A 31 16.136 3.494 -4.010 1.00 0.00 C ATOM 240 OE1 GLU A 31 15.550 3.350 -5.070 1.00 0.00 O ATOM 241 OE2 GLU A 31 17.143 4.151 -3.805 1.00 0.00 O ATOM 0 H GLU A 31 14.214 3.027 -0.164 1.00 0.00 H new ATOM 0 HA GLU A 31 14.718 5.168 -2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.514 2.351 -2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.629 3.358 -3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.101 3.021 -1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.624 1.689 -2.934 1.00 0.00 H new ATOM 248 N VAL A 32 11.631 4.253 -1.432 1.00 0.00 N ATOM 249 CA VAL A 32 10.234 4.743 -1.497 1.00 0.00 C ATOM 250 C VAL A 32 10.164 6.189 -1.014 1.00 0.00 C ATOM 251 O VAL A 32 9.828 7.088 -1.758 1.00 0.00 O ATOM 252 CB VAL A 32 9.372 3.857 -0.555 1.00 0.00 C ATOM 253 CG1 VAL A 32 8.110 4.621 -0.130 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.959 2.570 -1.291 1.00 0.00 C ATOM 0 H VAL A 32 11.750 3.322 -1.033 1.00 0.00 H new ATOM 0 HA VAL A 32 9.871 4.693 -2.523 1.00 0.00 H new ATOM 0 HB VAL A 32 9.958 3.604 0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.510 3.994 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.396 5.532 0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.526 4.880 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.355 1.950 -0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.378 2.828 -2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.851 2.019 -1.589 1.00 0.00 H new ATOM 264 N ASN A 33 10.491 6.372 0.228 1.00 0.00 N ATOM 265 CA ASN A 33 10.463 7.740 0.821 1.00 0.00 C ATOM 266 C ASN A 33 11.313 8.747 0.033 1.00 0.00 C ATOM 267 O ASN A 33 10.791 9.687 -0.542 1.00 0.00 O ATOM 268 CB ASN A 33 11.036 7.644 2.241 1.00 0.00 C ATOM 269 CG ASN A 33 10.654 8.897 3.023 1.00 0.00 C ATOM 270 OD1 ASN A 33 11.454 9.790 3.215 1.00 0.00 O ATOM 271 ND2 ASN A 33 9.441 9.000 3.492 1.00 0.00 N ATOM 0 H ASN A 33 10.779 5.631 0.867 1.00 0.00 H new ATOM 0 HA ASN A 33 9.432 8.093 0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.650 6.756 2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.121 7.542 2.202 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.167 9.829 4.019 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.767 8.251 3.332 1.00 0.00 H new ATOM 278 N GLU A 34 12.609 8.537 0.038 1.00 0.00 N ATOM 279 CA GLU A 34 13.520 9.469 -0.700 1.00 0.00 C ATOM 280 C GLU A 34 12.935 9.929 -2.022 1.00 0.00 C ATOM 281 O GLU A 34 13.337 10.948 -2.545 1.00 0.00 O ATOM 282 CB GLU A 34 14.847 8.753 -0.982 1.00 0.00 C ATOM 283 CG GLU A 34 15.633 8.624 0.325 1.00 0.00 C ATOM 284 CD GLU A 34 16.782 7.633 0.133 1.00 0.00 C ATOM 285 OE1 GLU A 34 17.095 7.383 -1.020 1.00 0.00 O ATOM 286 OE2 GLU A 34 17.283 7.184 1.150 1.00 0.00 O ATOM 0 H GLU A 34 13.072 7.766 0.518 1.00 0.00 H new ATOM 0 HA GLU A 34 13.664 10.348 -0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.660 7.767 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.427 9.312 -1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.024 9.597 0.624 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.976 8.284 1.125 1.00 0.00 H new ATOM 293 N LYS A 35 12.013 9.179 -2.546 1.00 0.00 N ATOM 294 CA LYS A 35 11.406 9.582 -3.839 1.00 0.00 C ATOM 295 C LYS A 35 10.076 10.273 -3.632 1.00 0.00 C ATOM 296 O LYS A 35 9.732 11.191 -4.345 1.00 0.00 O ATOM 297 CB LYS A 35 11.178 8.332 -4.674 1.00 0.00 C ATOM 298 CG LYS A 35 12.127 8.343 -5.873 1.00 0.00 C ATOM 299 CD LYS A 35 11.612 9.321 -6.943 1.00 0.00 C ATOM 300 CE LYS A 35 12.445 9.153 -8.212 1.00 0.00 C ATOM 301 NZ LYS A 35 11.618 8.561 -9.299 1.00 0.00 N ATOM 0 H LYS A 35 11.656 8.314 -2.141 1.00 0.00 H new ATOM 0 HA LYS A 35 12.082 10.276 -4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.348 7.441 -4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.144 8.293 -5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.127 8.635 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.207 7.340 -6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.560 9.128 -7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.681 10.347 -6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.836 10.120 -8.529 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.304 8.513 -8.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.197 8.452 -10.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.266 7.630 -8.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.813 9.187 -9.503 1.00 0.00 H new ATOM 315 N LEU A 36 9.356 9.819 -2.665 1.00 0.00 N ATOM 316 CA LEU A 36 8.034 10.434 -2.387 1.00 0.00 C ATOM 317 C LEU A 36 8.165 11.686 -1.532 1.00 0.00 C ATOM 318 O LEU A 36 7.179 12.226 -1.073 1.00 0.00 O ATOM 319 CB LEU A 36 7.186 9.429 -1.613 1.00 0.00 C ATOM 320 CG LEU A 36 6.904 8.212 -2.490 1.00 0.00 C ATOM 321 CD1 LEU A 36 6.072 7.213 -1.691 1.00 0.00 C ATOM 322 CD2 LEU A 36 6.123 8.628 -3.737 1.00 0.00 C ATOM 0 H LEU A 36 9.619 9.049 -2.050 1.00 0.00 H new ATOM 0 HA LEU A 36 7.579 10.704 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.706 9.123 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.249 9.891 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 36 7.848 7.762 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.864 6.338 -2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.625 6.908 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.133 7.678 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.928 7.751 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.177 9.080 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.707 9.351 -4.308 1.00 0.00 H new ATOM 334 N ARG A 37 9.366 12.127 -1.331 1.00 0.00 N ATOM 335 CA ARG A 37 9.556 13.346 -0.501 1.00 0.00 C ATOM 336 C ARG A 37 9.056 14.613 -1.186 1.00 0.00 C ATOM 337 O ARG A 37 8.786 15.599 -0.528 1.00 0.00 O ATOM 338 CB ARG A 37 11.055 13.498 -0.185 1.00 0.00 C ATOM 339 CG ARG A 37 11.831 13.669 -1.488 1.00 0.00 C ATOM 340 CD ARG A 37 12.450 15.063 -1.520 1.00 0.00 C ATOM 341 NE ARG A 37 13.056 15.291 -2.863 1.00 0.00 N ATOM 342 CZ ARG A 37 14.170 15.967 -2.961 1.00 0.00 C ATOM 343 NH1 ARG A 37 15.299 15.368 -2.692 1.00 0.00 N ATOM 344 NH2 ARG A 37 14.117 17.218 -3.331 1.00 0.00 N ATOM 0 H ARG A 37 10.219 11.705 -1.699 1.00 0.00 H new ATOM 0 HA ARG A 37 8.969 13.221 0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.216 14.359 0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.415 12.622 0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.609 12.910 -1.565 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.167 13.532 -2.342 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.690 15.818 -1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.209 15.157 -0.743 1.00 0.00 H new ATOM 0 HE ARG A 37 12.604 14.922 -3.700 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.302 14.388 -2.411 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.178 15.881 -2.763 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.217 17.651 -3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.976 17.762 -3.413 1.00 0.00 H new ATOM 358 N ASP A 38 8.933 14.584 -2.475 1.00 0.00 N ATOM 359 CA ASP A 38 8.446 15.807 -3.166 1.00 0.00 C ATOM 360 C ASP A 38 8.109 15.541 -4.623 1.00 0.00 C ATOM 361 O ASP A 38 8.793 16.007 -5.512 1.00 0.00 O ATOM 362 CB ASP A 38 9.557 16.858 -3.107 1.00 0.00 C ATOM 363 CG ASP A 38 9.047 18.171 -3.703 1.00 0.00 C ATOM 364 OD1 ASP A 38 7.892 18.468 -3.448 1.00 0.00 O ATOM 365 OD2 ASP A 38 9.842 18.802 -4.379 1.00 0.00 O ATOM 0 H ASP A 38 9.143 13.786 -3.074 1.00 0.00 H new ATOM 0 HA ASP A 38 7.538 16.147 -2.668 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.872 17.013 -2.075 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.431 16.511 -3.658 1.00 0.00 H new ATOM 370 N THR A 39 7.057 14.800 -4.849 1.00 0.00 N ATOM 371 CA THR A 39 6.678 14.508 -6.263 1.00 0.00 C ATOM 372 C THR A 39 5.166 14.362 -6.450 1.00 0.00 C ATOM 373 O THR A 39 4.517 13.579 -5.789 1.00 0.00 O ATOM 374 CB THR A 39 7.341 13.203 -6.677 1.00 0.00 C ATOM 375 OG1 THR A 39 6.530 12.678 -7.710 1.00 0.00 O ATOM 376 CG2 THR A 39 7.247 12.182 -5.552 1.00 0.00 C ATOM 0 H THR A 39 6.455 14.392 -4.134 1.00 0.00 H new ATOM 0 HA THR A 39 7.008 15.347 -6.875 1.00 0.00 H new ATOM 0 HB THR A 39 8.381 13.382 -6.950 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.908 11.830 -8.024 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.726 11.253 -5.863 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.749 12.570 -4.666 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.199 11.991 -5.321 1.00 0.00 H new ATOM 384 N ALA A 40 4.654 15.130 -7.365 1.00 0.00 N ATOM 385 CA ALA A 40 3.190 15.098 -7.668 1.00 0.00 C ATOM 386 C ALA A 40 2.308 15.105 -6.418 1.00 0.00 C ATOM 387 O ALA A 40 2.784 15.086 -5.301 1.00 0.00 O ATOM 388 CB ALA A 40 2.901 13.814 -8.455 1.00 0.00 C ATOM 0 H ALA A 40 5.191 15.790 -7.927 1.00 0.00 H new ATOM 0 HA ALA A 40 2.952 16.000 -8.231 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.838 13.763 -8.691 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.478 13.816 -9.380 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.181 12.948 -7.855 1.00 0.00 H new ATOM 394 N ASP A 41 1.015 15.137 -6.663 1.00 0.00 N ATOM 395 CA ASP A 41 0.023 15.147 -5.555 1.00 0.00 C ATOM 396 C ASP A 41 -0.851 13.889 -5.632 1.00 0.00 C ATOM 397 O ASP A 41 -2.060 13.953 -5.524 1.00 0.00 O ATOM 398 CB ASP A 41 -0.865 16.395 -5.742 1.00 0.00 C ATOM 399 CG ASP A 41 -1.668 16.660 -4.471 1.00 0.00 C ATOM 400 OD1 ASP A 41 -2.746 16.096 -4.384 1.00 0.00 O ATOM 401 OD2 ASP A 41 -1.158 17.411 -3.656 1.00 0.00 O ATOM 0 H ASP A 41 0.609 15.157 -7.598 1.00 0.00 H new ATOM 0 HA ASP A 41 0.527 15.166 -4.589 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.245 17.260 -5.978 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.541 16.248 -6.585 1.00 0.00 H new ATOM 406 N GLY A 42 -0.203 12.772 -5.824 1.00 0.00 N ATOM 407 CA GLY A 42 -0.931 11.468 -5.922 1.00 0.00 C ATOM 408 C GLY A 42 0.019 10.450 -6.539 1.00 0.00 C ATOM 409 O GLY A 42 -0.172 10.010 -7.655 1.00 0.00 O ATOM 0 H GLY A 42 0.810 12.704 -5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.257 11.137 -4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.826 11.575 -6.534 1.00 0.00 H new ATOM 413 N THR A 43 1.021 10.087 -5.789 1.00 0.00 N ATOM 414 CA THR A 43 2.013 9.100 -6.305 1.00 0.00 C ATOM 415 C THR A 43 1.734 7.686 -5.784 1.00 0.00 C ATOM 416 O THR A 43 1.006 7.520 -4.835 1.00 0.00 O ATOM 417 CB THR A 43 3.383 9.568 -5.779 1.00 0.00 C ATOM 418 OG1 THR A 43 3.205 10.939 -5.499 1.00 0.00 O ATOM 419 CG2 THR A 43 4.492 9.559 -6.853 1.00 0.00 C ATOM 0 H THR A 43 1.197 10.429 -4.844 1.00 0.00 H new ATOM 0 HA THR A 43 1.968 9.055 -7.393 1.00 0.00 H new ATOM 0 HB THR A 43 3.675 8.917 -4.955 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.976 11.444 -5.832 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.429 9.900 -6.412 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.619 8.547 -7.236 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.213 10.224 -7.670 1.00 0.00 H new ATOM 427 N PHE A 44 2.323 6.680 -6.417 1.00 0.00 N ATOM 428 CA PHE A 44 2.071 5.296 -5.934 1.00 0.00 C ATOM 429 C PHE A 44 3.075 4.269 -6.471 1.00 0.00 C ATOM 430 O PHE A 44 3.396 4.242 -7.643 1.00 0.00 O ATOM 431 CB PHE A 44 0.650 4.889 -6.342 1.00 0.00 C ATOM 432 CG PHE A 44 0.525 4.706 -7.866 1.00 0.00 C ATOM 433 CD1 PHE A 44 0.643 5.787 -8.734 1.00 0.00 C ATOM 434 CD2 PHE A 44 0.183 3.473 -8.388 1.00 0.00 C ATOM 435 CE1 PHE A 44 0.410 5.620 -10.088 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.050 3.319 -9.733 1.00 0.00 C ATOM 437 CZ PHE A 44 0.064 4.383 -10.579 1.00 0.00 C ATOM 0 H PHE A 44 2.945 6.766 -7.220 1.00 0.00 H new ATOM 0 HA PHE A 44 2.189 5.301 -4.850 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.380 3.960 -5.841 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.056 5.649 -6.008 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.917 6.759 -8.350 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.098 2.620 -7.731 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.500 6.461 -10.759 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.325 2.350 -10.123 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.118 4.254 -11.636 1.00 0.00 H new ATOM 447 N LEU A 45 3.542 3.440 -5.561 1.00 0.00 N ATOM 448 CA LEU A 45 4.519 2.385 -5.904 1.00 0.00 C ATOM 449 C LEU A 45 4.322 1.223 -4.919 1.00 0.00 C ATOM 450 O LEU A 45 3.270 1.129 -4.310 1.00 0.00 O ATOM 451 CB LEU A 45 5.972 2.950 -5.804 1.00 0.00 C ATOM 452 CG LEU A 45 6.079 4.013 -4.695 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.894 3.361 -3.323 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.470 4.637 -4.755 1.00 0.00 C ATOM 0 H LEU A 45 3.273 3.462 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 45 4.365 2.037 -6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.668 2.137 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.262 3.387 -6.760 1.00 0.00 H new ATOM 0 HG LEU A 45 5.308 4.769 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.971 4.121 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.912 2.890 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.666 2.607 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.564 5.393 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.223 3.863 -4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.619 5.101 -5.730 1.00 0.00 H new ATOM 466 N VAL A 46 5.316 0.368 -4.762 1.00 0.00 N ATOM 467 CA VAL A 46 5.148 -0.776 -3.804 1.00 0.00 C ATOM 468 C VAL A 46 6.216 -0.770 -2.708 1.00 0.00 C ATOM 469 O VAL A 46 7.227 -0.113 -2.815 1.00 0.00 O ATOM 470 CB VAL A 46 5.206 -2.101 -4.618 1.00 0.00 C ATOM 471 CG1 VAL A 46 6.401 -2.978 -4.204 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.925 -2.872 -4.352 1.00 0.00 C ATOM 0 H VAL A 46 6.214 0.412 -5.244 1.00 0.00 H new ATOM 0 HA VAL A 46 4.187 -0.679 -3.299 1.00 0.00 H new ATOM 0 HB VAL A 46 5.320 -1.854 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.404 -3.893 -4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.329 -2.432 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.318 -3.231 -3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.940 -3.807 -4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.845 -3.088 -3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.069 -2.275 -4.666 1.00 0.00 H new ATOM 482 N ARG A 47 5.940 -1.508 -1.665 1.00 0.00 N ATOM 483 CA ARG A 47 6.881 -1.598 -0.531 1.00 0.00 C ATOM 484 C ARG A 47 6.919 -3.040 -0.028 1.00 0.00 C ATOM 485 O ARG A 47 5.894 -3.610 0.282 1.00 0.00 O ATOM 486 CB ARG A 47 6.358 -0.685 0.599 1.00 0.00 C ATOM 487 CG ARG A 47 7.169 -0.909 1.884 1.00 0.00 C ATOM 488 CD ARG A 47 8.659 -0.795 1.575 1.00 0.00 C ATOM 489 NE ARG A 47 9.389 -0.485 2.832 1.00 0.00 N ATOM 490 CZ ARG A 47 9.520 -1.416 3.736 1.00 0.00 C ATOM 491 NH1 ARG A 47 9.000 -2.589 3.508 1.00 0.00 N ATOM 492 NH2 ARG A 47 10.165 -1.141 4.836 1.00 0.00 N ATOM 0 H ARG A 47 5.087 -2.057 -1.558 1.00 0.00 H new ATOM 0 HA ARG A 47 7.881 -1.292 -0.839 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.428 0.359 0.294 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.304 -0.893 0.785 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.886 -0.174 2.637 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.948 -1.892 2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.027 -1.727 1.145 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.832 -0.013 0.836 1.00 0.00 H new ATOM 0 HE ARG A 47 9.782 0.443 2.986 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.502 -2.765 2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.091 -3.331 4.202 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.557 -0.210 4.978 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.277 -1.857 5.554 1.00 0.00 H new ATOM 506 N ASP A 48 8.090 -3.612 0.030 1.00 0.00 N ATOM 507 CA ASP A 48 8.195 -5.018 0.510 1.00 0.00 C ATOM 508 C ASP A 48 7.295 -5.271 1.711 1.00 0.00 C ATOM 509 O ASP A 48 7.238 -4.479 2.631 1.00 0.00 O ATOM 510 CB ASP A 48 9.645 -5.276 0.912 1.00 0.00 C ATOM 511 CG ASP A 48 9.685 -6.322 2.028 1.00 0.00 C ATOM 512 OD1 ASP A 48 9.538 -5.907 3.166 1.00 0.00 O ATOM 513 OD2 ASP A 48 9.858 -7.479 1.680 1.00 0.00 O ATOM 0 H ASP A 48 8.972 -3.171 -0.232 1.00 0.00 H new ATOM 0 HA ASP A 48 7.879 -5.686 -0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.216 -5.624 0.051 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.111 -4.350 1.250 1.00 0.00 H new ATOM 518 N ALA A 49 6.604 -6.383 1.678 1.00 0.00 N ATOM 519 CA ALA A 49 5.699 -6.713 2.810 1.00 0.00 C ATOM 520 C ALA A 49 6.443 -7.479 3.897 1.00 0.00 C ATOM 521 O ALA A 49 5.936 -7.664 4.985 1.00 0.00 O ATOM 522 CB ALA A 49 4.561 -7.599 2.277 1.00 0.00 C ATOM 0 H ALA A 49 6.629 -7.068 0.922 1.00 0.00 H new ATOM 0 HA ALA A 49 5.313 -5.787 3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.885 -7.853 3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.012 -7.060 1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.979 -8.513 1.855 1.00 0.00 H new ATOM 528 N SER A 50 7.635 -7.908 3.585 1.00 0.00 N ATOM 529 CA SER A 50 8.422 -8.662 4.594 1.00 0.00 C ATOM 530 C SER A 50 9.731 -9.163 4.002 1.00 0.00 C ATOM 531 O SER A 50 10.770 -8.562 4.189 1.00 0.00 O ATOM 532 CB SER A 50 7.591 -9.872 5.055 1.00 0.00 C ATOM 533 OG SER A 50 8.561 -10.815 5.488 1.00 0.00 O ATOM 0 H SER A 50 8.092 -7.770 2.684 1.00 0.00 H new ATOM 0 HA SER A 50 8.650 -8.001 5.430 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.909 -9.603 5.862 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.983 -10.270 4.243 1.00 0.00 H new ATOM 0 HG SER A 50 9.067 -10.442 6.239 1.00 0.00 H new ATOM 539 N THR A 51 9.658 -10.254 3.293 1.00 0.00 N ATOM 540 CA THR A 51 10.887 -10.810 2.682 1.00 0.00 C ATOM 541 C THR A 51 10.560 -12.020 1.814 1.00 0.00 C ATOM 542 O THR A 51 10.949 -13.130 2.123 1.00 0.00 O ATOM 543 CB THR A 51 11.827 -11.247 3.811 1.00 0.00 C ATOM 544 OG1 THR A 51 12.773 -12.109 3.204 1.00 0.00 O ATOM 545 CG2 THR A 51 11.083 -12.129 4.830 1.00 0.00 C ATOM 0 H THR A 51 8.803 -10.780 3.113 1.00 0.00 H new ATOM 0 HA THR A 51 11.353 -10.050 2.055 1.00 0.00 H new ATOM 0 HB THR A 51 12.247 -10.370 4.303 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.362 -12.984 3.044 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.769 -12.428 5.622 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.254 -11.567 5.261 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.698 -13.018 4.330 1.00 0.00 H new ATOM 553 N LYS A 52 9.855 -11.768 0.733 1.00 0.00 N ATOM 554 CA LYS A 52 9.468 -12.870 -0.204 1.00 0.00 C ATOM 555 C LYS A 52 9.266 -14.201 0.523 1.00 0.00 C ATOM 556 O LYS A 52 9.736 -15.229 0.078 1.00 0.00 O ATOM 557 CB LYS A 52 10.584 -13.035 -1.265 1.00 0.00 C ATOM 558 CG LYS A 52 11.935 -13.263 -0.577 1.00 0.00 C ATOM 559 CD LYS A 52 12.975 -13.640 -1.636 1.00 0.00 C ATOM 560 CE LYS A 52 14.304 -12.971 -1.278 1.00 0.00 C ATOM 561 NZ LYS A 52 15.406 -13.492 -2.134 1.00 0.00 N ATOM 0 H LYS A 52 9.530 -10.840 0.460 1.00 0.00 H new ATOM 0 HA LYS A 52 8.520 -12.601 -0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.353 -13.876 -1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.633 -12.146 -1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.245 -12.362 -0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.850 -14.055 0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.096 -14.722 -1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.643 -13.318 -2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.219 -11.892 -1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.536 -13.152 -0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.298 -13.025 -1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.499 -14.518 -1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.191 -13.297 -3.133 1.00 0.00 H new ATOM 575 N MET A 53 8.564 -14.155 1.633 1.00 0.00 N ATOM 576 CA MET A 53 8.319 -15.408 2.402 1.00 0.00 C ATOM 577 C MET A 53 6.931 -15.957 2.122 1.00 0.00 C ATOM 578 O MET A 53 6.776 -17.102 1.744 1.00 0.00 O ATOM 579 CB MET A 53 8.434 -15.091 3.903 1.00 0.00 C ATOM 580 CG MET A 53 9.850 -15.429 4.378 1.00 0.00 C ATOM 581 SD MET A 53 10.350 -17.171 4.339 1.00 0.00 S ATOM 582 CE MET A 53 9.841 -17.600 6.025 1.00 0.00 C ATOM 0 H MET A 53 8.156 -13.310 2.032 1.00 0.00 H new ATOM 0 HA MET A 53 9.054 -16.155 2.102 1.00 0.00 H new ATOM 0 HB2 MET A 53 8.218 -14.038 4.083 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.700 -15.667 4.467 1.00 0.00 H new ATOM 0 HG2 MET A 53 10.554 -14.863 3.768 1.00 0.00 H new ATOM 0 HG3 MET A 53 9.956 -15.071 5.402 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.062 -18.650 6.216 1.00 0.00 H new ATOM 0 HE2 MET A 53 10.384 -16.979 6.738 1.00 0.00 H new ATOM 0 HE3 MET A 53 8.770 -17.429 6.136 1.00 0.00 H new ATOM 592 N HIS A 54 5.951 -15.136 2.313 1.00 0.00 N ATOM 593 CA HIS A 54 4.559 -15.587 2.064 1.00 0.00 C ATOM 594 C HIS A 54 3.658 -14.412 1.714 1.00 0.00 C ATOM 595 O HIS A 54 2.565 -14.593 1.214 1.00 0.00 O ATOM 596 CB HIS A 54 4.028 -16.250 3.346 1.00 0.00 C ATOM 597 CG HIS A 54 3.493 -17.645 3.013 1.00 0.00 C ATOM 598 ND1 HIS A 54 4.196 -18.617 2.668 1.00 0.00 N ATOM 599 CD2 HIS A 54 2.192 -18.112 3.012 1.00 0.00 C ATOM 600 CE1 HIS A 54 3.489 -19.648 2.448 1.00 0.00 C ATOM 601 NE2 HIS A 54 2.190 -19.422 2.643 1.00 0.00 N ATOM 0 H HIS A 54 6.048 -14.172 2.631 1.00 0.00 H new ATOM 0 HA HIS A 54 4.559 -16.286 1.228 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.823 -16.321 4.088 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.238 -15.640 3.783 1.00 0.00 H new ATOM 0 HD1 HIS A 54 5.211 -18.587 2.575 1.00 0.00 H new ATOM 0 HD2 HIS A 54 1.317 -17.531 3.264 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.894 -20.600 2.138 1.00 0.00 H new ATOM 609 N GLY A 55 4.136 -13.230 1.980 1.00 0.00 N ATOM 610 CA GLY A 55 3.322 -12.014 1.672 1.00 0.00 C ATOM 611 C GLY A 55 3.836 -11.334 0.400 1.00 0.00 C ATOM 612 O GLY A 55 5.012 -11.395 0.095 1.00 0.00 O ATOM 0 H GLY A 55 5.050 -13.049 2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.276 -12.292 1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.368 -11.317 2.508 1.00 0.00 H new ATOM 616 N ASP A 56 2.945 -10.698 -0.317 1.00 0.00 N ATOM 617 CA ASP A 56 3.370 -10.017 -1.560 1.00 0.00 C ATOM 618 C ASP A 56 4.068 -8.682 -1.232 1.00 0.00 C ATOM 619 O ASP A 56 5.265 -8.657 -1.030 1.00 0.00 O ATOM 620 CB ASP A 56 2.119 -9.783 -2.428 1.00 0.00 C ATOM 621 CG ASP A 56 2.174 -10.711 -3.644 1.00 0.00 C ATOM 622 OD1 ASP A 56 2.078 -11.906 -3.418 1.00 0.00 O ATOM 623 OD2 ASP A 56 2.312 -10.172 -4.732 1.00 0.00 O ATOM 0 H ASP A 56 1.953 -10.625 -0.092 1.00 0.00 H new ATOM 0 HA ASP A 56 4.086 -10.635 -2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.217 -9.976 -1.848 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.074 -8.743 -2.750 1.00 0.00 H new ATOM 628 N TYR A 57 3.322 -7.600 -1.184 1.00 0.00 N ATOM 629 CA TYR A 57 3.962 -6.297 -0.869 1.00 0.00 C ATOM 630 C TYR A 57 3.026 -5.383 -0.087 1.00 0.00 C ATOM 631 O TYR A 57 2.186 -5.834 0.664 1.00 0.00 O ATOM 632 CB TYR A 57 4.338 -5.626 -2.192 1.00 0.00 C ATOM 633 CG TYR A 57 5.131 -6.625 -3.023 1.00 0.00 C ATOM 634 CD1 TYR A 57 6.487 -6.744 -2.859 1.00 0.00 C ATOM 635 CD2 TYR A 57 4.488 -7.476 -3.878 1.00 0.00 C ATOM 636 CE1 TYR A 57 7.192 -7.711 -3.527 1.00 0.00 C ATOM 637 CE2 TYR A 57 5.188 -8.446 -4.552 1.00 0.00 C ATOM 638 CZ TYR A 57 6.549 -8.572 -4.384 1.00 0.00 C ATOM 639 OH TYR A 57 7.252 -9.544 -5.065 1.00 0.00 O ATOM 0 H TYR A 57 2.316 -7.570 -1.347 1.00 0.00 H new ATOM 0 HA TYR A 57 4.841 -6.474 -0.249 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.442 -5.313 -2.728 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.930 -4.729 -2.009 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.006 -6.068 -2.196 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.422 -7.385 -4.024 1.00 0.00 H new ATOM 0 HE1 TYR A 57 8.258 -7.797 -3.379 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.667 -9.116 -5.220 1.00 0.00 H new ATOM 0 HH TYR A 57 6.636 -10.062 -5.625 1.00 0.00 H new ATOM 649 N THR A 58 3.209 -4.114 -0.277 1.00 0.00 N ATOM 650 CA THR A 58 2.367 -3.126 0.424 1.00 0.00 C ATOM 651 C THR A 58 2.220 -1.868 -0.422 1.00 0.00 C ATOM 652 O THR A 58 3.185 -1.182 -0.688 1.00 0.00 O ATOM 653 CB THR A 58 3.060 -2.777 1.727 1.00 0.00 C ATOM 654 OG1 THR A 58 2.506 -3.650 2.689 1.00 0.00 O ATOM 655 CG2 THR A 58 2.668 -1.382 2.205 1.00 0.00 C ATOM 0 H THR A 58 3.915 -3.717 -0.896 1.00 0.00 H new ATOM 0 HA THR A 58 1.374 -3.538 0.607 1.00 0.00 H new ATOM 0 HB THR A 58 4.140 -2.841 1.595 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.274 -4.502 2.263 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.181 -1.161 3.141 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.952 -0.646 1.453 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.590 -1.341 2.363 1.00 0.00 H new ATOM 663 N LEU A 59 1.016 -1.588 -0.834 1.00 0.00 N ATOM 664 CA LEU A 59 0.798 -0.377 -1.665 1.00 0.00 C ATOM 665 C LEU A 59 1.013 0.895 -0.863 1.00 0.00 C ATOM 666 O LEU A 59 0.423 1.077 0.183 1.00 0.00 O ATOM 667 CB LEU A 59 -0.661 -0.380 -2.160 1.00 0.00 C ATOM 668 CG LEU A 59 -0.692 -0.471 -3.701 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.243 -1.865 -4.151 1.00 0.00 C ATOM 670 CD2 LEU A 59 -2.121 -0.234 -4.204 1.00 0.00 C ATOM 0 H LEU A 59 0.182 -2.140 -0.633 1.00 0.00 H new ATOM 0 HA LEU A 59 1.508 -0.398 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.200 -1.222 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.168 0.527 -1.830 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.021 0.284 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.268 -1.921 -5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.772 -2.051 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.914 -2.616 -3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.139 -0.299 -5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.785 -0.990 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.456 0.756 -3.894 1.00 0.00 H new ATOM 682 N THR A 60 1.870 1.744 -1.367 1.00 0.00 N ATOM 683 CA THR A 60 2.150 3.019 -0.666 1.00 0.00 C ATOM 684 C THR A 60 1.987 4.168 -1.645 1.00 0.00 C ATOM 685 O THR A 60 2.419 4.081 -2.779 1.00 0.00 O ATOM 686 CB THR A 60 3.585 3.003 -0.143 1.00 0.00 C ATOM 687 OG1 THR A 60 3.480 2.624 1.214 1.00 0.00 O ATOM 688 CG2 THR A 60 4.169 4.434 -0.099 1.00 0.00 C ATOM 0 H THR A 60 2.386 1.604 -2.236 1.00 0.00 H new ATOM 0 HA THR A 60 1.459 3.142 0.168 1.00 0.00 H new ATOM 0 HB THR A 60 4.201 2.357 -0.769 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.374 2.592 1.615 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.192 4.398 0.277 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.166 4.859 -1.103 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.562 5.055 0.560 1.00 0.00 H new ATOM 696 N LEU A 61 1.370 5.222 -1.206 1.00 0.00 N ATOM 697 CA LEU A 61 1.180 6.375 -2.123 1.00 0.00 C ATOM 698 C LEU A 61 1.155 7.686 -1.394 1.00 0.00 C ATOM 699 O LEU A 61 0.934 7.741 -0.207 1.00 0.00 O ATOM 700 CB LEU A 61 -0.162 6.226 -2.866 1.00 0.00 C ATOM 701 CG LEU A 61 -1.207 5.537 -1.980 1.00 0.00 C ATOM 702 CD1 LEU A 61 -2.542 6.259 -2.141 1.00 0.00 C ATOM 703 CD2 LEU A 61 -1.376 4.084 -2.429 1.00 0.00 C ATOM 0 H LEU A 61 0.993 5.337 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 61 2.024 6.374 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.526 7.208 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.015 5.647 -3.778 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.883 5.566 -0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.294 5.778 -1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.431 7.300 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.856 6.215 -3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.119 3.593 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.707 4.060 -3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.423 3.562 -2.340 1.00 0.00 H new ATOM 715 N ARG A 62 1.380 8.731 -2.134 1.00 0.00 N ATOM 716 CA ARG A 62 1.377 10.059 -1.529 1.00 0.00 C ATOM 717 C ARG A 62 0.022 10.674 -1.699 1.00 0.00 C ATOM 718 O ARG A 62 -0.345 11.071 -2.795 1.00 0.00 O ATOM 719 CB ARG A 62 2.408 10.927 -2.254 1.00 0.00 C ATOM 720 CG ARG A 62 3.787 10.700 -1.630 1.00 0.00 C ATOM 721 CD ARG A 62 3.825 11.276 -0.199 1.00 0.00 C ATOM 722 NE ARG A 62 4.972 12.220 -0.082 1.00 0.00 N ATOM 723 CZ ARG A 62 5.568 12.364 1.072 1.00 0.00 C ATOM 724 NH1 ARG A 62 5.036 13.156 1.962 1.00 0.00 N ATOM 725 NH2 ARG A 62 6.675 11.714 1.296 1.00 0.00 N ATOM 0 H ARG A 62 1.566 8.708 -3.137 1.00 0.00 H new ATOM 0 HA ARG A 62 1.619 9.987 -0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.430 10.677 -3.315 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.131 11.979 -2.181 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.013 9.634 -1.607 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.554 11.175 -2.242 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.890 11.791 0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.926 10.470 0.528 1.00 0.00 H new ATOM 0 HE ARG A 62 5.289 12.749 -0.895 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.169 13.650 1.751 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.487 13.281 2.868 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.063 11.104 0.576 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.153 11.815 2.191 1.00 0.00 H new ATOM 739 N LYS A 63 -0.710 10.729 -0.616 1.00 0.00 N ATOM 740 CA LYS A 63 -2.070 11.317 -0.675 1.00 0.00 C ATOM 741 C LYS A 63 -2.026 12.836 -0.731 1.00 0.00 C ATOM 742 O LYS A 63 -2.824 13.507 -0.104 1.00 0.00 O ATOM 743 CB LYS A 63 -2.841 10.888 0.570 1.00 0.00 C ATOM 744 CG LYS A 63 -3.211 9.409 0.435 1.00 0.00 C ATOM 745 CD LYS A 63 -4.002 8.963 1.670 1.00 0.00 C ATOM 746 CE LYS A 63 -5.358 9.674 1.712 1.00 0.00 C ATOM 747 NZ LYS A 63 -6.338 8.861 2.477 1.00 0.00 N ATOM 0 H LYS A 63 -0.421 10.391 0.302 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.558 10.961 -1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.235 11.046 1.462 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.740 11.493 0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.805 9.253 -0.466 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.309 8.806 0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.149 7.883 1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.437 9.188 2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.249 10.655 2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.723 9.838 0.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.254 9.352 2.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.453 7.934 2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.994 8.726 3.449 1.00 0.00 H new ATOM 761 N GLY A 64 -1.087 13.350 -1.478 1.00 0.00 N ATOM 762 CA GLY A 64 -0.965 14.830 -1.597 1.00 0.00 C ATOM 763 C GLY A 64 0.228 15.366 -0.813 1.00 0.00 C ATOM 764 O GLY A 64 0.754 16.412 -1.129 1.00 0.00 O ATOM 0 H GLY A 64 -0.402 12.812 -2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.862 15.103 -2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.879 15.300 -1.234 1.00 0.00 H new ATOM 768 N GLY A 65 0.637 14.650 0.186 1.00 0.00 N ATOM 769 CA GLY A 65 1.800 15.133 0.982 1.00 0.00 C ATOM 770 C GLY A 65 2.111 14.184 2.132 1.00 0.00 C ATOM 771 O GLY A 65 3.025 14.420 2.898 1.00 0.00 O ATOM 0 H GLY A 65 0.229 13.765 0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.673 15.225 0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.588 16.127 1.375 1.00 0.00 H new ATOM 775 N ASN A 66 1.342 13.134 2.233 1.00 0.00 N ATOM 776 CA ASN A 66 1.571 12.158 3.319 1.00 0.00 C ATOM 777 C ASN A 66 1.582 10.738 2.777 1.00 0.00 C ATOM 778 O ASN A 66 0.570 10.232 2.339 1.00 0.00 O ATOM 779 CB ASN A 66 0.425 12.295 4.317 1.00 0.00 C ATOM 780 CG ASN A 66 0.889 11.804 5.687 1.00 0.00 C ATOM 781 OD1 ASN A 66 1.561 10.690 5.763 1.00 0.00 O flip ATOM 782 ND2 ASN A 66 0.644 12.431 6.699 1.00 0.00 N flip ATOM 0 H ASN A 66 0.567 12.916 1.607 1.00 0.00 H new ATOM 0 HA ASN A 66 2.535 12.355 3.788 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.104 13.335 4.380 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.436 11.716 3.982 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.118 13.303 6.644 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.964 12.085 7.603 1.00 0.00 H new ATOM 789 N ASN A 67 2.731 10.121 2.811 1.00 0.00 N ATOM 790 CA ASN A 67 2.825 8.732 2.302 1.00 0.00 C ATOM 791 C ASN A 67 1.907 7.817 3.101 1.00 0.00 C ATOM 792 O ASN A 67 2.135 7.566 4.270 1.00 0.00 O ATOM 793 CB ASN A 67 4.278 8.252 2.467 1.00 0.00 C ATOM 794 CG ASN A 67 4.287 6.826 3.027 1.00 0.00 C ATOM 795 OD1 ASN A 67 3.671 5.930 2.486 1.00 0.00 O ATOM 796 ND2 ASN A 67 4.966 6.575 4.112 1.00 0.00 N ATOM 0 H ASN A 67 3.600 10.518 3.167 1.00 0.00 H new ATOM 0 HA ASN A 67 2.527 8.706 1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.792 8.280 1.506 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.819 8.920 3.137 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.977 5.632 4.500 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.486 7.322 4.572 1.00 0.00 H new ATOM 803 N LYS A 68 0.874 7.352 2.462 1.00 0.00 N ATOM 804 CA LYS A 68 -0.071 6.453 3.159 1.00 0.00 C ATOM 805 C LYS A 68 0.323 5.009 2.908 1.00 0.00 C ATOM 806 O LYS A 68 0.847 4.689 1.857 1.00 0.00 O ATOM 807 CB LYS A 68 -1.483 6.707 2.587 1.00 0.00 C ATOM 808 CG LYS A 68 -2.568 6.157 3.546 1.00 0.00 C ATOM 809 CD LYS A 68 -3.025 4.781 3.060 1.00 0.00 C ATOM 810 CE LYS A 68 -4.129 4.266 3.988 1.00 0.00 C ATOM 811 NZ LYS A 68 -5.445 4.300 3.294 1.00 0.00 N ATOM 0 H LYS A 68 0.646 7.557 1.489 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.054 6.644 4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.633 7.776 2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.577 6.230 1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.171 6.084 4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.416 6.841 3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.394 4.847 2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.185 4.086 3.052 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.903 3.247 4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.170 4.877 4.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.185 3.948 3.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.665 5.277 3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.406 3.698 2.447 1.00 0.00 H new ATOM 825 N LEU A 69 0.064 4.161 3.872 1.00 0.00 N ATOM 826 CA LEU A 69 0.423 2.728 3.701 1.00 0.00 C ATOM 827 C LEU A 69 -0.807 1.838 3.532 1.00 0.00 C ATOM 828 O LEU A 69 -1.770 1.948 4.266 1.00 0.00 O ATOM 829 CB LEU A 69 1.170 2.274 4.959 1.00 0.00 C ATOM 830 CG LEU A 69 1.981 1.017 4.633 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.442 1.415 4.397 1.00 0.00 C ATOM 832 CD2 LEU A 69 1.903 0.050 5.814 1.00 0.00 C ATOM 0 H LEU A 69 -0.376 4.400 4.760 1.00 0.00 H new ATOM 0 HA LEU A 69 1.032 2.636 2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.830 3.067 5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.463 2.068 5.762 1.00 0.00 H new ATOM 0 HG LEU A 69 1.581 0.536 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.028 0.526 4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.498 2.115 3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.840 1.887 5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.479 -0.848 5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.312 0.529 6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.863 -0.222 5.994 1.00 0.00 H new ATOM 844 N ILE A 70 -0.737 0.968 2.557 1.00 0.00 N ATOM 845 CA ILE A 70 -1.871 0.043 2.295 1.00 0.00 C ATOM 846 C ILE A 70 -1.324 -1.351 2.037 1.00 0.00 C ATOM 847 O ILE A 70 -0.514 -1.546 1.156 1.00 0.00 O ATOM 848 CB ILE A 70 -2.625 0.530 1.062 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.539 1.678 1.452 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.496 -0.618 0.520 1.00 0.00 C ATOM 851 CD1 ILE A 70 -3.507 2.736 0.360 1.00 0.00 C ATOM 0 H ILE A 70 0.061 0.861 1.931 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.543 0.017 3.153 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.911 0.857 0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.557 1.316 1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.218 2.108 2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.039 -0.278 -0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.860 -1.462 0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.207 -0.928 1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.162 3.563 0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.488 3.104 0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.848 2.300 -0.579 1.00 0.00 H new ATOM 863 N LYS A 71 -1.785 -2.299 2.792 1.00 0.00 N ATOM 864 CA LYS A 71 -1.290 -3.686 2.600 1.00 0.00 C ATOM 865 C LYS A 71 -1.984 -4.429 1.453 1.00 0.00 C ATOM 866 O LYS A 71 -3.075 -4.092 1.038 1.00 0.00 O ATOM 867 CB LYS A 71 -1.539 -4.457 3.904 1.00 0.00 C ATOM 868 CG LYS A 71 -0.265 -4.392 4.772 1.00 0.00 C ATOM 869 CD LYS A 71 -0.587 -4.778 6.233 1.00 0.00 C ATOM 870 CE LYS A 71 -0.622 -6.305 6.368 1.00 0.00 C ATOM 871 NZ LYS A 71 -1.603 -6.708 7.415 1.00 0.00 N ATOM 0 H LYS A 71 -2.479 -2.178 3.530 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.232 -3.627 2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.384 -4.026 4.441 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.795 -5.494 3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.491 -5.066 4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.154 -3.386 4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.164 -4.361 6.904 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.547 -4.355 6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.893 -6.755 5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.369 -6.677 6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.617 -7.745 7.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.327 -6.292 8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.550 -6.368 7.152 1.00 0.00 H new ATOM 885 N ILE A 72 -1.295 -5.433 0.965 1.00 0.00 N ATOM 886 CA ILE A 72 -1.822 -6.269 -0.152 1.00 0.00 C ATOM 887 C ILE A 72 -2.329 -7.582 0.455 1.00 0.00 C ATOM 888 O ILE A 72 -1.597 -8.227 1.180 1.00 0.00 O ATOM 889 CB ILE A 72 -0.630 -6.575 -1.097 1.00 0.00 C ATOM 890 CG1 ILE A 72 -0.481 -5.460 -2.179 1.00 0.00 C ATOM 891 CG2 ILE A 72 -0.828 -7.983 -1.744 1.00 0.00 C ATOM 892 CD1 ILE A 72 -1.140 -5.838 -3.534 1.00 0.00 C ATOM 0 H ILE A 72 -0.373 -5.710 1.302 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.624 -5.769 -0.695 1.00 0.00 H new ATOM 0 HB ILE A 72 0.295 -6.587 -0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.929 -4.539 -1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.578 -5.257 -2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.009 -8.199 -2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.875 -8.740 -0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.756 -7.994 -2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.003 -5.023 -4.245 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.675 -6.743 -3.925 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.205 -6.013 -3.384 1.00 0.00 H new ATOM 904 N PHE A 73 -3.556 -7.967 0.159 1.00 0.00 N ATOM 905 CA PHE A 73 -4.065 -9.239 0.745 1.00 0.00 C ATOM 906 C PHE A 73 -4.012 -10.391 -0.256 1.00 0.00 C ATOM 907 O PHE A 73 -4.809 -10.470 -1.168 1.00 0.00 O ATOM 908 CB PHE A 73 -5.508 -9.010 1.202 1.00 0.00 C ATOM 909 CG PHE A 73 -5.728 -7.507 1.422 1.00 0.00 C ATOM 910 CD1 PHE A 73 -4.812 -6.765 2.147 1.00 0.00 C ATOM 911 CD2 PHE A 73 -6.822 -6.865 0.871 1.00 0.00 C ATOM 912 CE1 PHE A 73 -4.984 -5.405 2.311 1.00 0.00 C ATOM 913 CE2 PHE A 73 -6.991 -5.503 1.036 1.00 0.00 C ATOM 914 CZ PHE A 73 -6.070 -4.775 1.753 1.00 0.00 C ATOM 0 H PHE A 73 -4.205 -7.465 -0.447 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.430 -9.518 1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.205 -9.387 0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.703 -9.558 2.124 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.956 -7.254 2.588 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.549 -7.431 0.308 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.263 -4.835 2.879 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -7.848 -5.010 0.601 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.200 -3.710 1.877 1.00 0.00 H new ATOM 924 N HIS A 74 -3.050 -11.260 -0.049 1.00 0.00 N ATOM 925 CA HIS A 74 -2.875 -12.437 -0.943 1.00 0.00 C ATOM 926 C HIS A 74 -3.088 -13.727 -0.136 1.00 0.00 C ATOM 927 O HIS A 74 -3.155 -13.678 1.078 1.00 0.00 O ATOM 928 CB HIS A 74 -1.430 -12.397 -1.476 1.00 0.00 C ATOM 929 CG HIS A 74 -0.912 -13.818 -1.680 1.00 0.00 C ATOM 930 ND1 HIS A 74 -0.222 -14.455 -0.856 1.00 0.00 N ATOM 931 CD2 HIS A 74 -1.078 -14.664 -2.753 1.00 0.00 C ATOM 932 CE1 HIS A 74 0.067 -15.611 -1.288 1.00 0.00 C ATOM 933 NE2 HIS A 74 -0.438 -15.838 -2.500 1.00 0.00 N ATOM 0 H HIS A 74 -2.374 -11.198 0.712 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.592 -12.413 -1.764 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.396 -11.849 -2.418 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.789 -11.864 -0.774 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.072 -14.091 0.050 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.629 -14.433 -3.653 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.655 -16.330 -0.737 1.00 0.00 H new ATOM 941 N ARG A 75 -3.192 -14.858 -0.810 1.00 0.00 N ATOM 942 CA ARG A 75 -3.401 -16.135 -0.053 1.00 0.00 C ATOM 943 C ARG A 75 -2.615 -17.307 -0.650 1.00 0.00 C ATOM 944 O ARG A 75 -1.957 -18.032 0.069 1.00 0.00 O ATOM 945 CB ARG A 75 -4.898 -16.481 -0.078 1.00 0.00 C ATOM 946 CG ARG A 75 -5.304 -17.000 1.307 1.00 0.00 C ATOM 947 CD ARG A 75 -6.786 -17.386 1.297 1.00 0.00 C ATOM 948 NE ARG A 75 -7.221 -17.661 2.701 1.00 0.00 N ATOM 949 CZ ARG A 75 -8.485 -17.885 2.953 1.00 0.00 C ATOM 950 NH1 ARG A 75 -9.186 -18.575 2.096 1.00 0.00 N ATOM 951 NH2 ARG A 75 -9.003 -17.415 4.056 1.00 0.00 N ATOM 0 H ARG A 75 -3.142 -14.948 -1.825 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.042 -15.981 0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.485 -15.601 -0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.099 -17.235 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.695 -17.863 1.576 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.122 -16.234 2.061 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.383 -16.581 0.868 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.943 -18.266 0.674 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.537 -17.674 3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.747 -18.930 1.246 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.173 -18.760 2.276 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.424 -16.883 4.705 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.987 -17.580 4.268 1.00 0.00 H new ATOM 965 N ASP A 76 -2.696 -17.479 -1.947 1.00 0.00 N ATOM 966 CA ASP A 76 -1.950 -18.610 -2.585 1.00 0.00 C ATOM 967 C ASP A 76 -1.298 -18.176 -3.888 1.00 0.00 C ATOM 968 O ASP A 76 -0.494 -18.889 -4.453 1.00 0.00 O ATOM 969 CB ASP A 76 -2.950 -19.727 -2.891 1.00 0.00 C ATOM 970 CG ASP A 76 -2.951 -20.737 -1.742 1.00 0.00 C ATOM 971 OD1 ASP A 76 -1.961 -21.440 -1.639 1.00 0.00 O ATOM 972 OD2 ASP A 76 -3.945 -20.748 -1.034 1.00 0.00 O ATOM 0 H ASP A 76 -3.238 -16.895 -2.584 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.169 -18.946 -1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.948 -19.310 -3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.684 -20.222 -3.825 1.00 0.00 H new ATOM 977 N GLY A 77 -1.653 -17.012 -4.338 1.00 0.00 N ATOM 978 CA GLY A 77 -1.068 -16.499 -5.608 1.00 0.00 C ATOM 979 C GLY A 77 -1.973 -15.413 -6.175 1.00 0.00 C ATOM 980 O GLY A 77 -1.617 -14.717 -7.107 1.00 0.00 O ATOM 0 H GLY A 77 -2.323 -16.390 -3.884 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.070 -16.099 -5.427 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.961 -17.311 -6.327 1.00 0.00 H new ATOM 984 N LYS A 78 -3.128 -15.297 -5.592 1.00 0.00 N ATOM 985 CA LYS A 78 -4.091 -14.279 -6.052 1.00 0.00 C ATOM 986 C LYS A 78 -3.872 -12.969 -5.298 1.00 0.00 C ATOM 987 O LYS A 78 -2.816 -12.747 -4.740 1.00 0.00 O ATOM 988 CB LYS A 78 -5.538 -14.806 -5.784 1.00 0.00 C ATOM 989 CG LYS A 78 -5.493 -16.094 -4.945 1.00 0.00 C ATOM 990 CD LYS A 78 -4.910 -17.236 -5.784 1.00 0.00 C ATOM 991 CE LYS A 78 -5.990 -18.289 -6.021 1.00 0.00 C ATOM 992 NZ LYS A 78 -5.447 -19.410 -6.834 1.00 0.00 N ATOM 0 H LYS A 78 -3.445 -15.871 -4.810 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.950 -14.094 -7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.118 -14.045 -5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.043 -14.999 -6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.886 -15.938 -4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.496 -16.354 -4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.544 -16.853 -6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.058 -17.681 -5.271 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.355 -18.667 -5.066 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.841 -17.839 -6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.192 -20.120 -6.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.120 -19.046 -7.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.649 -19.849 -6.331 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.858 -12.124 -5.306 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.722 -10.841 -4.600 1.00 0.00 C ATOM 1008 C TYR A 79 -6.035 -10.450 -3.975 1.00 0.00 C ATOM 1009 O TYR A 79 -7.064 -11.025 -4.271 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.327 -9.766 -5.616 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.843 -9.889 -5.925 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -2.414 -10.736 -6.917 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -1.917 -9.140 -5.232 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -1.079 -10.837 -7.224 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.578 -9.238 -5.536 1.00 0.00 C ATOM 1016 CZ TYR A 79 -0.146 -10.089 -6.537 1.00 0.00 C ATOM 1017 OH TYR A 79 1.195 -10.186 -6.845 1.00 0.00 O ATOM 0 H TYR A 79 -5.752 -12.273 -5.774 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.966 -10.937 -3.820 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.911 -9.880 -6.529 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.547 -8.775 -5.219 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -3.134 -11.329 -7.462 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.243 -8.473 -4.447 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.758 -11.506 -8.008 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.141 -8.646 -4.989 1.00 0.00 H new ATOM 0 HH TYR A 79 1.724 -9.758 -6.140 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.982 -9.490 -3.122 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.220 -9.039 -2.460 1.00 0.00 C ATOM 1029 C GLY A 80 -7.162 -7.542 -2.245 1.00 0.00 C ATOM 1030 O GLY A 80 -6.221 -7.028 -1.656 1.00 0.00 O ATOM 0 H GLY A 80 -5.134 -8.993 -2.850 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.086 -9.296 -3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.341 -9.550 -1.505 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.157 -6.866 -2.741 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.196 -5.413 -2.586 1.00 0.00 C ATOM 1036 C PHE A 81 -9.631 -4.937 -2.459 1.00 0.00 C ATOM 1037 O PHE A 81 -9.902 -3.875 -1.934 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.574 -4.788 -3.826 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.342 -4.019 -3.397 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.144 -4.674 -3.194 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.421 -2.670 -3.133 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.054 -3.986 -2.729 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -5.324 -1.988 -2.667 1.00 0.00 C ATOM 1044 CZ PHE A 81 -4.145 -2.649 -2.465 1.00 0.00 C ATOM 0 H PHE A 81 -8.944 -7.272 -3.248 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.649 -5.124 -1.689 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.309 -5.559 -4.549 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.286 -4.124 -4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.066 -5.731 -3.402 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.351 -2.145 -3.293 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.119 -4.503 -2.571 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.393 -0.930 -2.460 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.283 -2.113 -2.096 1.00 0.00 H new ATOM 1054 N SER A 82 -10.521 -5.743 -2.949 1.00 0.00 N ATOM 1055 CA SER A 82 -11.957 -5.393 -2.885 1.00 0.00 C ATOM 1056 C SER A 82 -12.806 -6.588 -3.301 1.00 0.00 C ATOM 1057 O SER A 82 -14.011 -6.584 -3.145 1.00 0.00 O ATOM 1058 CB SER A 82 -12.220 -4.223 -3.851 1.00 0.00 C ATOM 1059 OG SER A 82 -11.113 -4.248 -4.738 1.00 0.00 O ATOM 0 H SER A 82 -10.313 -6.637 -3.395 1.00 0.00 H new ATOM 0 HA SER A 82 -12.219 -5.111 -1.865 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.161 -4.352 -4.385 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.283 -3.274 -3.319 1.00 0.00 H new ATOM 0 HG SER A 82 -11.204 -3.527 -5.395 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.147 -7.594 -3.825 1.00 0.00 N ATOM 1066 CA ASP A 83 -12.872 -8.807 -4.263 1.00 0.00 C ATOM 1067 C ASP A 83 -12.670 -9.935 -3.238 1.00 0.00 C ATOM 1068 O ASP A 83 -11.773 -9.860 -2.419 1.00 0.00 O ATOM 1069 CB ASP A 83 -12.276 -9.239 -5.620 1.00 0.00 C ATOM 1070 CG ASP A 83 -13.227 -8.809 -6.733 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -13.114 -7.660 -7.126 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -14.016 -9.650 -7.127 1.00 0.00 O ATOM 0 H ASP A 83 -11.137 -7.618 -3.964 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.939 -8.602 -4.352 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.296 -8.784 -5.764 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.132 -10.319 -5.643 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.525 -10.963 -3.274 1.00 0.00 N ATOM 1078 CA PRO A 84 -13.400 -12.081 -2.332 1.00 0.00 C ATOM 1079 C PRO A 84 -12.125 -12.900 -2.612 1.00 0.00 C ATOM 1080 O PRO A 84 -12.091 -14.098 -2.400 1.00 0.00 O ATOM 1081 CB PRO A 84 -14.653 -12.958 -2.590 1.00 0.00 C ATOM 1082 CG PRO A 84 -15.372 -12.380 -3.847 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.671 -11.057 -4.209 1.00 0.00 C ATOM 0 HA PRO A 84 -13.332 -11.732 -1.302 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.368 -13.997 -2.754 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.317 -12.943 -1.726 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.318 -13.083 -4.678 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.429 -12.211 -3.641 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.335 -11.059 -5.246 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.345 -10.208 -4.094 1.00 0.00 H new ATOM 1091 N LEU A 85 -11.094 -12.236 -3.071 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.827 -12.953 -3.367 1.00 0.00 C ATOM 1093 C LEU A 85 -10.076 -14.055 -4.390 1.00 0.00 C ATOM 1094 O LEU A 85 -9.369 -15.044 -4.443 1.00 0.00 O ATOM 1095 CB LEU A 85 -9.260 -13.553 -2.046 1.00 0.00 C ATOM 1096 CG LEU A 85 -8.150 -12.623 -1.515 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -7.995 -12.791 -0.009 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.830 -12.986 -2.180 1.00 0.00 C ATOM 0 H LEU A 85 -11.079 -11.232 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.101 -12.256 -3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.054 -13.654 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.862 -14.552 -2.225 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.420 -11.591 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.208 -12.129 0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.935 -12.541 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.731 -13.824 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.043 -12.331 -1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.579 -14.022 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.921 -12.866 -3.260 1.00 0.00 H new ATOM 1110 N THR A 86 -11.087 -13.852 -5.196 1.00 0.00 N ATOM 1111 CA THR A 86 -11.417 -14.857 -6.230 1.00 0.00 C ATOM 1112 C THR A 86 -10.693 -14.522 -7.531 1.00 0.00 C ATOM 1113 O THR A 86 -10.458 -15.380 -8.357 1.00 0.00 O ATOM 1114 CB THR A 86 -12.929 -14.821 -6.477 1.00 0.00 C ATOM 1115 OG1 THR A 86 -13.163 -15.781 -7.487 1.00 0.00 O ATOM 1116 CG2 THR A 86 -13.350 -13.483 -7.106 1.00 0.00 C ATOM 0 H THR A 86 -11.693 -13.032 -5.177 1.00 0.00 H new ATOM 0 HA THR A 86 -11.107 -15.846 -5.893 1.00 0.00 H new ATOM 0 HB THR A 86 -13.462 -14.984 -5.540 1.00 0.00 H new ATOM 0 HG1 THR A 86 -14.120 -15.811 -7.694 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.427 -13.482 -7.272 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.085 -12.666 -6.435 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.836 -13.351 -8.058 1.00 0.00 H new ATOM 1124 N PHE A 87 -10.356 -13.264 -7.685 1.00 0.00 N ATOM 1125 CA PHE A 87 -9.647 -12.843 -8.914 1.00 0.00 C ATOM 1126 C PHE A 87 -8.141 -12.978 -8.713 1.00 0.00 C ATOM 1127 O PHE A 87 -7.713 -13.771 -7.899 1.00 0.00 O ATOM 1128 CB PHE A 87 -10.076 -11.388 -9.242 1.00 0.00 C ATOM 1129 CG PHE A 87 -9.041 -10.372 -8.777 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -8.523 -10.413 -7.493 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -8.614 -9.384 -9.640 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -7.596 -9.477 -7.090 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -7.694 -8.458 -9.237 1.00 0.00 C ATOM 1134 CZ PHE A 87 -7.182 -8.499 -7.963 1.00 0.00 C ATOM 0 H PHE A 87 -10.544 -12.521 -7.012 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.908 -13.479 -9.760 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.226 -11.287 -10.317 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.033 -11.175 -8.765 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.847 -11.181 -6.806 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -9.011 -9.342 -10.644 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.194 -9.512 -6.088 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.368 -7.690 -9.923 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.456 -7.764 -7.648 1.00 0.00 H new ATOM 1144 N ASN A 88 -7.350 -12.228 -9.422 1.00 0.00 N ATOM 1145 CA ASN A 88 -5.886 -12.386 -9.211 1.00 0.00 C ATOM 1146 C ASN A 88 -5.059 -11.186 -9.644 1.00 0.00 C ATOM 1147 O ASN A 88 -4.705 -10.337 -8.855 1.00 0.00 O ATOM 1148 CB ASN A 88 -5.412 -13.584 -10.066 1.00 0.00 C ATOM 1149 CG ASN A 88 -5.946 -14.890 -9.489 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -7.175 -15.239 -9.743 1.00 0.00 O flip ATOM 1151 ND2 ASN A 88 -5.242 -15.617 -8.817 1.00 0.00 N flip ATOM 0 H ASN A 88 -7.637 -11.536 -10.114 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.740 -12.518 -8.139 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.756 -13.465 -11.093 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.323 -13.610 -10.096 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.279 -15.349 -8.615 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -5.614 -16.495 -8.455 1.00 0.00 H new ATOM 1158 N SER A 89 -4.782 -11.157 -10.899 1.00 0.00 N ATOM 1159 CA SER A 89 -3.964 -10.042 -11.473 1.00 0.00 C ATOM 1160 C SER A 89 -4.272 -8.667 -10.908 1.00 0.00 C ATOM 1161 O SER A 89 -5.394 -8.181 -10.931 1.00 0.00 O ATOM 1162 CB SER A 89 -4.176 -9.984 -12.961 1.00 0.00 C ATOM 1163 OG SER A 89 -5.136 -10.996 -13.227 1.00 0.00 O ATOM 0 H SER A 89 -5.084 -11.860 -11.574 1.00 0.00 H new ATOM 0 HA SER A 89 -2.934 -10.273 -11.202 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.537 -9.004 -13.272 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.247 -10.167 -13.501 1.00 0.00 H new ATOM 0 HG SER A 89 -5.504 -10.870 -14.126 1.00 0.00 H new ATOM 1169 N VAL A 90 -3.228 -8.035 -10.489 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.364 -6.686 -9.913 1.00 0.00 C ATOM 1171 C VAL A 90 -3.439 -5.667 -11.024 1.00 0.00 C ATOM 1172 O VAL A 90 -4.092 -4.650 -10.902 1.00 0.00 O ATOM 1173 CB VAL A 90 -2.128 -6.400 -9.050 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.469 -5.325 -8.020 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -1.717 -7.683 -8.324 1.00 0.00 C ATOM 0 H VAL A 90 -2.276 -8.399 -10.521 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.270 -6.628 -9.310 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.309 -6.054 -9.681 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.593 -5.119 -7.405 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.774 -4.413 -8.533 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.284 -5.674 -7.386 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.839 -7.487 -7.709 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.537 -8.021 -7.690 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.482 -8.456 -9.056 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.770 -5.963 -12.096 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.784 -5.033 -13.233 1.00 0.00 C ATOM 1187 C VAL A 91 -4.207 -4.833 -13.674 1.00 0.00 C ATOM 1188 O VAL A 91 -4.567 -3.799 -14.179 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.963 -5.658 -14.376 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.362 -4.551 -15.257 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.835 -6.489 -13.766 1.00 0.00 C ATOM 0 H VAL A 91 -2.217 -6.810 -12.228 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.355 -4.070 -12.955 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.607 -6.287 -14.990 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.783 -5.002 -16.063 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.165 -3.947 -15.681 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.712 -3.918 -14.653 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.243 -6.939 -14.563 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.197 -5.847 -13.159 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.259 -7.275 -13.141 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.998 -5.842 -13.467 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.414 -5.742 -13.860 1.00 0.00 C ATOM 1203 C GLU A 92 -7.095 -4.790 -12.920 1.00 0.00 C ATOM 1204 O GLU A 92 -7.772 -3.870 -13.334 1.00 0.00 O ATOM 1205 CB GLU A 92 -7.067 -7.122 -13.723 1.00 0.00 C ATOM 1206 CG GLU A 92 -6.742 -7.951 -14.957 1.00 0.00 C ATOM 1207 CD GLU A 92 -7.433 -9.315 -14.849 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -8.651 -9.301 -14.770 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -6.704 -10.294 -14.852 1.00 0.00 O ATOM 0 H GLU A 92 -4.721 -6.728 -13.043 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.500 -5.392 -14.889 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.702 -7.623 -12.826 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.146 -7.018 -13.613 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.075 -7.432 -15.856 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.664 -8.083 -15.047 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.903 -5.030 -11.652 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.539 -4.129 -10.646 1.00 0.00 C ATOM 1218 C LEU A 93 -6.980 -2.714 -10.779 1.00 0.00 C ATOM 1219 O LEU A 93 -7.657 -1.815 -11.234 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.217 -4.664 -9.232 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.784 -3.719 -8.165 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.693 -4.523 -7.238 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.637 -3.120 -7.344 1.00 0.00 C ATOM 0 H LEU A 93 -6.345 -5.795 -11.273 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.616 -4.104 -10.812 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.641 -5.661 -9.107 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.138 -4.758 -9.108 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.343 -2.915 -8.643 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.105 -3.866 -6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.506 -4.961 -7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.117 -5.317 -6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.043 -2.449 -6.587 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.080 -3.921 -6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.971 -2.563 -8.002 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.757 -2.549 -10.359 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.114 -1.216 -10.440 1.00 0.00 C ATOM 1237 C ILE A 94 -5.473 -0.496 -11.740 1.00 0.00 C ATOM 1238 O ILE A 94 -5.684 0.701 -11.744 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.581 -1.433 -10.336 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -2.995 -0.609 -9.185 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -2.856 -1.036 -11.652 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.332 0.892 -9.341 1.00 0.00 C ATOM 0 H ILE A 94 -5.175 -3.287 -9.962 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.470 -0.582 -9.628 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.423 -2.495 -10.151 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.387 -0.975 -8.236 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.913 -0.740 -9.155 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.784 -1.202 -11.541 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.234 -1.644 -12.474 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.040 0.017 -11.866 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.902 1.450 -8.509 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.918 1.262 -10.279 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.414 1.023 -9.346 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.537 -1.223 -12.818 1.00 0.00 N ATOM 1255 CA ASN A 95 -5.883 -0.564 -14.095 1.00 0.00 C ATOM 1256 C ASN A 95 -7.310 -0.067 -14.029 1.00 0.00 C ATOM 1257 O ASN A 95 -7.615 1.052 -14.424 1.00 0.00 O ATOM 1258 CB ASN A 95 -5.765 -1.582 -15.236 1.00 0.00 C ATOM 1259 CG ASN A 95 -6.337 -0.976 -16.515 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -5.940 0.090 -16.944 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -7.270 -1.623 -17.157 1.00 0.00 N ATOM 0 H ASN A 95 -5.367 -2.228 -12.867 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.206 0.272 -14.270 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.721 -1.858 -15.386 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.302 -2.495 -14.981 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.663 -1.234 -18.014 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.607 -2.518 -16.802 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.164 -0.908 -13.511 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.578 -0.528 -13.397 1.00 0.00 C ATOM 1270 C HIS A 96 -9.722 0.723 -12.541 1.00 0.00 C ATOM 1271 O HIS A 96 -10.717 1.414 -12.618 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.333 -1.685 -12.726 1.00 0.00 C ATOM 1273 CG HIS A 96 -11.803 -1.639 -13.139 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -12.749 -1.354 -12.377 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -12.382 -1.886 -14.369 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -13.862 -1.392 -12.984 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -13.729 -1.724 -14.267 1.00 0.00 N ATOM 0 H HIS A 96 -7.932 -1.839 -13.165 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.983 -0.323 -14.388 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.892 -2.639 -13.016 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.246 -1.611 -11.642 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -11.851 -2.163 -15.267 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -14.811 -1.179 -12.514 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -14.447 -1.829 -14.984 1.00 0.00 H new ATOM 1285 N TYR A 97 -8.718 0.993 -11.736 1.00 0.00 N ATOM 1286 CA TYR A 97 -8.789 2.195 -10.873 1.00 0.00 C ATOM 1287 C TYR A 97 -8.097 3.373 -11.525 1.00 0.00 C ATOM 1288 O TYR A 97 -8.577 4.488 -11.461 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.093 1.895 -9.551 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.089 1.221 -8.602 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.252 1.869 -8.217 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -8.850 -0.049 -8.135 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.154 1.252 -7.386 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -9.754 -0.666 -7.301 1.00 0.00 C ATOM 1295 CZ TYR A 97 -10.913 -0.023 -6.920 1.00 0.00 C ATOM 1296 OH TYR A 97 -11.821 -0.648 -6.090 1.00 0.00 O ATOM 0 H TYR A 97 -7.868 0.436 -11.647 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.838 2.446 -10.714 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.234 1.245 -9.717 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.715 2.816 -9.107 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.451 2.869 -8.574 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.947 -0.566 -8.424 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.057 1.768 -7.096 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.554 -1.664 -6.941 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.492 -1.542 -5.859 1.00 0.00 H new ATOM 1306 N ARG A 98 -6.973 3.114 -12.133 1.00 0.00 N ATOM 1307 CA ARG A 98 -6.245 4.207 -12.790 1.00 0.00 C ATOM 1308 C ARG A 98 -7.209 5.053 -13.601 1.00 0.00 C ATOM 1309 O ARG A 98 -7.142 6.265 -13.590 1.00 0.00 O ATOM 1310 CB ARG A 98 -5.209 3.589 -13.730 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.821 3.699 -13.095 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.832 2.861 -13.911 1.00 0.00 C ATOM 1313 NE ARG A 98 -2.818 3.361 -15.314 1.00 0.00 N ATOM 1314 CZ ARG A 98 -2.002 2.823 -16.179 1.00 0.00 C ATOM 1315 NH1 ARG A 98 -0.716 2.877 -15.955 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -2.498 2.248 -17.240 1.00 0.00 N ATOM 0 H ARG A 98 -6.538 2.194 -12.197 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.762 4.836 -12.043 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.452 2.544 -13.921 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.223 4.101 -14.692 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.500 4.740 -13.069 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.850 3.348 -12.063 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.834 2.927 -13.477 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.120 1.810 -13.888 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.441 4.118 -15.596 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.364 3.335 -15.114 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.064 2.462 -16.621 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.508 2.224 -17.382 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -1.876 1.822 -17.927 1.00 0.00 H new ATOM 1330 N ASN A 99 -8.103 4.394 -14.285 1.00 0.00 N ATOM 1331 CA ASN A 99 -9.083 5.142 -15.103 1.00 0.00 C ATOM 1332 C ASN A 99 -10.175 5.744 -14.228 1.00 0.00 C ATOM 1333 O ASN A 99 -10.825 6.696 -14.615 1.00 0.00 O ATOM 1334 CB ASN A 99 -9.731 4.168 -16.084 1.00 0.00 C ATOM 1335 CG ASN A 99 -9.355 4.566 -17.512 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -8.213 4.468 -17.914 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -10.283 5.019 -18.307 1.00 0.00 N ATOM 0 H ASN A 99 -8.193 3.378 -14.310 1.00 0.00 H new ATOM 0 HA ASN A 99 -8.567 5.948 -15.625 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -9.398 3.151 -15.878 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.814 4.179 -15.964 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -10.049 5.289 -19.262 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.243 5.103 -17.974 1.00 0.00 H new ATOM 1344 N GLU A 100 -10.351 5.172 -13.060 1.00 0.00 N ATOM 1345 CA GLU A 100 -11.400 5.688 -12.128 1.00 0.00 C ATOM 1346 C GLU A 100 -10.792 6.365 -10.897 1.00 0.00 C ATOM 1347 O GLU A 100 -10.351 7.495 -10.970 1.00 0.00 O ATOM 1348 CB GLU A 100 -12.263 4.503 -11.680 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.875 3.851 -12.919 1.00 0.00 C ATOM 1350 CD GLU A 100 -14.199 3.185 -12.540 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -15.032 3.901 -12.008 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -14.304 2.000 -12.805 1.00 0.00 O ATOM 0 H GLU A 100 -9.816 4.375 -12.715 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.994 6.437 -12.652 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.659 3.781 -11.132 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -13.048 4.841 -11.003 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -13.040 4.600 -13.694 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.188 3.112 -13.332 1.00 0.00 H new ATOM 1359 N SER A 101 -10.777 5.671 -9.786 1.00 0.00 N ATOM 1360 CA SER A 101 -10.200 6.283 -8.558 1.00 0.00 C ATOM 1361 C SER A 101 -10.487 5.428 -7.332 1.00 0.00 C ATOM 1362 O SER A 101 -11.413 4.642 -7.327 1.00 0.00 O ATOM 1363 CB SER A 101 -10.867 7.651 -8.355 1.00 0.00 C ATOM 1364 OG SER A 101 -9.944 8.575 -8.902 1.00 0.00 O ATOM 0 H SER A 101 -11.134 4.722 -9.680 1.00 0.00 H new ATOM 0 HA SER A 101 -9.120 6.371 -8.678 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.830 7.703 -8.863 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.052 7.851 -7.300 1.00 0.00 H new ATOM 0 HG SER A 101 -10.009 8.563 -9.880 1.00 0.00 H new ATOM 1370 N LEU A 102 -9.686 5.596 -6.305 1.00 0.00 N ATOM 1371 CA LEU A 102 -9.912 4.793 -5.076 1.00 0.00 C ATOM 1372 C LEU A 102 -10.816 5.543 -4.104 1.00 0.00 C ATOM 1373 O LEU A 102 -10.344 6.238 -3.222 1.00 0.00 O ATOM 1374 CB LEU A 102 -8.556 4.519 -4.386 1.00 0.00 C ATOM 1375 CG LEU A 102 -7.510 4.139 -5.439 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -6.274 3.562 -4.748 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -8.084 3.085 -6.374 1.00 0.00 C ATOM 0 H LEU A 102 -8.900 6.245 -6.270 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.391 3.855 -5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.230 5.403 -3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.663 3.715 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.238 5.029 -6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.531 3.292 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.854 4.307 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.555 2.675 -4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.338 2.817 -7.122 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.357 2.199 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.969 3.483 -6.871 1.00 0.00 H new ATOM 1389 N ALA A 103 -12.103 5.405 -4.299 1.00 0.00 N ATOM 1390 CA ALA A 103 -13.065 6.095 -3.403 1.00 0.00 C ATOM 1391 C ALA A 103 -13.625 5.120 -2.376 1.00 0.00 C ATOM 1392 O ALA A 103 -14.580 5.419 -1.687 1.00 0.00 O ATOM 1393 CB ALA A 103 -14.222 6.633 -4.259 1.00 0.00 C ATOM 0 H ALA A 103 -12.524 4.844 -5.040 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.557 6.906 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -14.941 7.144 -3.619 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -13.833 7.333 -4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -14.714 5.804 -4.768 1.00 0.00 H new ATOM 1399 N GLN A 104 -13.016 3.964 -2.290 1.00 0.00 N ATOM 1400 CA GLN A 104 -13.496 2.950 -1.317 1.00 0.00 C ATOM 1401 C GLN A 104 -12.877 3.170 0.061 1.00 0.00 C ATOM 1402 O GLN A 104 -13.573 3.212 1.055 1.00 0.00 O ATOM 1403 CB GLN A 104 -13.086 1.559 -1.824 1.00 0.00 C ATOM 1404 CG GLN A 104 -14.251 0.941 -2.597 1.00 0.00 C ATOM 1405 CD GLN A 104 -14.605 1.841 -3.780 1.00 0.00 C ATOM 1406 OE1 GLN A 104 -14.054 1.717 -4.856 1.00 0.00 O ATOM 1407 NE2 GLN A 104 -15.515 2.759 -3.625 1.00 0.00 N ATOM 0 H GLN A 104 -12.211 3.684 -2.851 1.00 0.00 H new ATOM 0 HA GLN A 104 -14.579 3.035 -1.227 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -12.209 1.637 -2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -12.811 0.920 -0.985 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -13.981 -0.054 -2.950 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -15.115 0.824 -1.943 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -15.981 2.868 -2.724 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -15.762 3.369 -4.404 1.00 0.00 H new ATOM 1416 N TYR A 105 -11.575 3.304 0.098 1.00 0.00 N ATOM 1417 CA TYR A 105 -10.904 3.520 1.408 1.00 0.00 C ATOM 1418 C TYR A 105 -11.371 4.814 2.047 1.00 0.00 C ATOM 1419 O TYR A 105 -11.594 4.883 3.239 1.00 0.00 O ATOM 1420 CB TYR A 105 -9.389 3.609 1.171 1.00 0.00 C ATOM 1421 CG TYR A 105 -8.892 2.285 0.592 1.00 0.00 C ATOM 1422 CD1 TYR A 105 -8.979 2.034 -0.763 1.00 0.00 C ATOM 1423 CD2 TYR A 105 -8.347 1.323 1.415 1.00 0.00 C ATOM 1424 CE1 TYR A 105 -8.527 0.840 -1.286 1.00 0.00 C ATOM 1425 CE2 TYR A 105 -7.894 0.128 0.894 1.00 0.00 C ATOM 1426 CZ TYR A 105 -7.981 -0.123 -0.461 1.00 0.00 C ATOM 1427 OH TYR A 105 -7.524 -1.315 -0.982 1.00 0.00 O ATOM 0 H TYR A 105 -10.957 3.273 -0.713 1.00 0.00 H new ATOM 0 HA TYR A 105 -11.150 2.691 2.072 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.163 4.427 0.486 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -8.875 3.826 2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.405 2.779 -1.419 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.274 1.506 2.477 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.601 0.657 -2.348 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.468 -0.616 1.551 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.097 -1.151 -1.849 1.00 0.00 H new ATOM 1437 N ASN A 106 -11.511 5.812 1.238 1.00 0.00 N ATOM 1438 CA ASN A 106 -11.962 7.124 1.753 1.00 0.00 C ATOM 1439 C ASN A 106 -12.852 7.836 0.694 1.00 0.00 C ATOM 1440 O ASN A 106 -12.365 8.598 -0.117 1.00 0.00 O ATOM 1441 CB ASN A 106 -10.702 7.977 2.038 1.00 0.00 C ATOM 1442 CG ASN A 106 -10.852 8.639 3.406 1.00 0.00 C ATOM 1443 OD1 ASN A 106 -10.370 8.143 4.406 1.00 0.00 O ATOM 1444 ND2 ASN A 106 -11.515 9.759 3.497 1.00 0.00 N ATOM 0 H ASN A 106 -11.332 5.778 0.234 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.550 6.993 2.661 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.810 7.351 2.018 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.577 8.735 1.264 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -11.627 10.213 4.403 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -11.922 10.180 2.662 1.00 0.00 H new ATOM 1451 N PRO A 107 -14.155 7.549 0.707 1.00 0.00 N ATOM 1452 CA PRO A 107 -15.073 8.164 -0.250 1.00 0.00 C ATOM 1453 C PRO A 107 -15.190 9.668 -0.074 1.00 0.00 C ATOM 1454 O PRO A 107 -15.467 10.371 -1.026 1.00 0.00 O ATOM 1455 CB PRO A 107 -16.431 7.511 0.018 1.00 0.00 C ATOM 1456 CG PRO A 107 -16.225 6.447 1.136 1.00 0.00 C ATOM 1457 CD PRO A 107 -14.781 6.590 1.634 1.00 0.00 C ATOM 0 HA PRO A 107 -14.711 8.010 -1.267 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -17.161 8.258 0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -16.818 7.045 -0.888 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -16.931 6.604 1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -16.402 5.443 0.750 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -14.751 6.955 2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -14.262 5.632 1.622 1.00 0.00 H new ATOM 1465 N LYS A 108 -14.999 10.145 1.137 1.00 0.00 N ATOM 1466 CA LYS A 108 -15.103 11.615 1.357 1.00 0.00 C ATOM 1467 C LYS A 108 -14.422 12.345 0.214 1.00 0.00 C ATOM 1468 O LYS A 108 -14.765 13.460 -0.125 1.00 0.00 O ATOM 1469 CB LYS A 108 -14.404 11.966 2.680 1.00 0.00 C ATOM 1470 CG LYS A 108 -15.063 11.182 3.818 1.00 0.00 C ATOM 1471 CD LYS A 108 -14.723 11.848 5.155 1.00 0.00 C ATOM 1472 CE LYS A 108 -15.885 12.752 5.575 1.00 0.00 C ATOM 1473 NZ LYS A 108 -15.527 13.527 6.797 1.00 0.00 N ATOM 0 H LYS A 108 -14.780 9.588 1.963 1.00 0.00 H new ATOM 0 HA LYS A 108 -16.151 11.913 1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.343 11.723 2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -14.475 13.037 2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -16.143 11.153 3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.714 10.150 3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -14.542 11.090 5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -13.807 12.432 5.062 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.134 13.436 4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.772 12.149 5.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -16.326 14.135 7.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -15.312 12.870 7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -14.693 14.117 6.602 1.00 0.00 H new ATOM 1487 N LEU A 109 -13.462 11.682 -0.353 1.00 0.00 N ATOM 1488 CA LEU A 109 -12.712 12.271 -1.483 1.00 0.00 C ATOM 1489 C LEU A 109 -12.166 11.149 -2.374 1.00 0.00 C ATOM 1490 O LEU A 109 -11.382 10.330 -1.948 1.00 0.00 O ATOM 1491 CB LEU A 109 -11.567 13.204 -0.945 1.00 0.00 C ATOM 1492 CG LEU A 109 -10.361 12.410 -0.403 1.00 0.00 C ATOM 1493 CD1 LEU A 109 -9.337 13.404 0.155 1.00 0.00 C ATOM 1494 CD2 LEU A 109 -10.807 11.486 0.732 1.00 0.00 C ATOM 0 H LEU A 109 -13.163 10.747 -0.078 1.00 0.00 H new ATOM 0 HA LEU A 109 -13.376 12.888 -2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.233 13.863 -1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.963 13.841 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.929 11.814 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.476 12.860 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.013 14.077 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.792 13.983 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.948 10.930 1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.235 12.081 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.556 10.788 0.359 1.00 0.00 H new ATOM 1506 N ASP A 110 -12.631 11.103 -3.590 1.00 0.00 N ATOM 1507 CA ASP A 110 -12.145 10.041 -4.502 1.00 0.00 C ATOM 1508 C ASP A 110 -10.671 10.233 -4.819 1.00 0.00 C ATOM 1509 O ASP A 110 -10.294 11.180 -5.481 1.00 0.00 O ATOM 1510 CB ASP A 110 -12.953 10.107 -5.808 1.00 0.00 C ATOM 1511 CG ASP A 110 -13.207 11.569 -6.180 1.00 0.00 C ATOM 1512 OD1 ASP A 110 -12.236 12.211 -6.544 1.00 0.00 O ATOM 1513 OD2 ASP A 110 -14.359 11.960 -6.083 1.00 0.00 O ATOM 0 H ASP A 110 -13.317 11.746 -3.985 1.00 0.00 H new ATOM 0 HA ASP A 110 -12.272 9.073 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -12.410 9.606 -6.609 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -13.900 9.582 -5.688 1.00 0.00 H new ATOM 1518 N VAL A 111 -9.857 9.326 -4.338 1.00 0.00 N ATOM 1519 CA VAL A 111 -8.404 9.449 -4.607 1.00 0.00 C ATOM 1520 C VAL A 111 -8.066 8.878 -5.976 1.00 0.00 C ATOM 1521 O VAL A 111 -8.804 8.083 -6.524 1.00 0.00 O ATOM 1522 CB VAL A 111 -7.629 8.659 -3.537 1.00 0.00 C ATOM 1523 CG1 VAL A 111 -6.239 9.275 -3.355 1.00 0.00 C ATOM 1524 CG2 VAL A 111 -8.382 8.729 -2.206 1.00 0.00 C ATOM 0 H VAL A 111 -10.136 8.519 -3.780 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.128 10.503 -4.582 1.00 0.00 H new ATOM 0 HB VAL A 111 -7.534 7.620 -3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.690 8.716 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.697 9.235 -4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -6.340 10.313 -3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.834 8.170 -1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -8.474 9.769 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.376 8.298 -2.327 1.00 0.00 H new ATOM 1534 N LYS A 112 -6.954 9.293 -6.498 1.00 0.00 N ATOM 1535 CA LYS A 112 -6.532 8.798 -7.832 1.00 0.00 C ATOM 1536 C LYS A 112 -5.025 8.647 -7.874 1.00 0.00 C ATOM 1537 O LYS A 112 -4.321 9.432 -7.266 1.00 0.00 O ATOM 1538 CB LYS A 112 -6.942 9.844 -8.884 1.00 0.00 C ATOM 1539 CG LYS A 112 -7.132 11.200 -8.196 1.00 0.00 C ATOM 1540 CD LYS A 112 -7.143 12.303 -9.253 1.00 0.00 C ATOM 1541 CE LYS A 112 -7.942 13.494 -8.722 1.00 0.00 C ATOM 1542 NZ LYS A 112 -7.847 14.647 -9.660 1.00 0.00 N ATOM 0 H LYS A 112 -6.316 9.956 -6.058 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.000 7.834 -8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.178 9.919 -9.658 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.865 9.540 -9.377 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.066 11.209 -7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.328 11.374 -7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.124 12.609 -9.489 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.587 11.934 -10.178 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.986 13.209 -8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.565 13.784 -7.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.395 15.447 -9.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.851 14.928 -9.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.228 14.372 -10.588 1.00 0.00 H new ATOM 1556 N LEU A 113 -4.541 7.635 -8.579 1.00 0.00 N ATOM 1557 CA LEU A 113 -3.063 7.452 -8.647 1.00 0.00 C ATOM 1558 C LEU A 113 -2.556 7.344 -10.096 1.00 0.00 C ATOM 1559 O LEU A 113 -2.052 6.342 -10.523 1.00 0.00 O ATOM 1560 CB LEU A 113 -2.667 6.209 -7.782 1.00 0.00 C ATOM 1561 CG LEU A 113 -2.978 4.846 -8.468 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -2.965 3.741 -7.398 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.354 4.873 -9.132 1.00 0.00 C ATOM 0 H LEU A 113 -5.097 6.952 -9.093 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.575 8.337 -8.237 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.602 6.258 -7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.196 6.256 -6.830 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.224 4.656 -9.232 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.182 2.780 -7.865 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.983 3.702 -6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.721 3.956 -6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.549 3.910 -9.604 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.117 5.069 -8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.378 5.659 -9.887 1.00 0.00 H new ATOM 1575 N LEU A 114 -2.715 8.420 -10.821 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.262 8.434 -12.226 1.00 0.00 C ATOM 1577 C LEU A 114 -0.873 9.051 -12.326 1.00 0.00 C ATOM 1578 O LEU A 114 -0.587 9.801 -13.236 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.237 9.298 -13.035 1.00 0.00 C ATOM 1580 CG LEU A 114 -4.549 8.540 -13.215 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -5.725 9.487 -12.962 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -4.623 8.023 -14.642 1.00 0.00 C ATOM 0 H LEU A 114 -3.141 9.287 -10.492 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.229 7.413 -12.608 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.416 10.243 -12.522 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.807 9.540 -14.007 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.595 7.709 -12.512 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -6.662 8.946 -13.091 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.667 9.876 -11.945 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.684 10.315 -13.670 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.557 7.479 -14.784 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.583 8.863 -15.336 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.782 7.356 -14.831 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.037 8.724 -11.384 1.00 0.00 N ATOM 1595 CA TYR A 115 1.335 9.279 -11.398 1.00 0.00 C ATOM 1596 C TYR A 115 2.329 8.298 -10.756 1.00 0.00 C ATOM 1597 O TYR A 115 2.720 8.470 -9.618 1.00 0.00 O ATOM 1598 CB TYR A 115 1.318 10.575 -10.578 1.00 0.00 C ATOM 1599 CG TYR A 115 0.144 11.426 -11.055 1.00 0.00 C ATOM 1600 CD1 TYR A 115 -1.101 11.278 -10.485 1.00 0.00 C ATOM 1601 CD2 TYR A 115 0.304 12.324 -12.089 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -2.173 12.012 -10.944 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -0.767 13.059 -12.550 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.015 12.910 -11.980 1.00 0.00 C ATOM 1605 OH TYR A 115 -3.089 13.640 -12.444 1.00 0.00 O ATOM 0 H TYR A 115 -0.247 8.097 -10.607 1.00 0.00 H new ATOM 0 HA TYR A 115 1.647 9.459 -12.427 1.00 0.00 H new ATOM 0 HB2 TYR A 115 1.219 10.351 -9.516 1.00 0.00 H new ATOM 0 HB3 TYR A 115 2.256 11.116 -10.703 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -1.238 10.581 -9.672 1.00 0.00 H new ATOM 0 HD2 TYR A 115 1.276 12.452 -12.541 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.144 11.884 -10.490 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -0.629 13.756 -13.363 1.00 0.00 H new ATOM 0 HH TYR A 115 -2.797 14.223 -13.175 1.00 0.00 H new ATOM 1615 N PRO A 116 2.717 7.268 -11.505 1.00 0.00 N ATOM 1616 CA PRO A 116 3.658 6.275 -10.997 1.00 0.00 C ATOM 1617 C PRO A 116 5.025 6.912 -10.761 1.00 0.00 C ATOM 1618 O PRO A 116 5.292 7.984 -11.268 1.00 0.00 O ATOM 1619 CB PRO A 116 3.757 5.215 -12.113 1.00 0.00 C ATOM 1620 CG PRO A 116 2.872 5.704 -13.302 1.00 0.00 C ATOM 1621 CD PRO A 116 2.258 7.047 -12.890 1.00 0.00 C ATOM 0 HA PRO A 116 3.332 5.850 -10.048 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.792 5.089 -12.431 1.00 0.00 H new ATOM 0 HB3 PRO A 116 3.414 4.245 -11.753 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.471 5.816 -14.206 1.00 0.00 H new ATOM 0 HG3 PRO A 116 2.091 4.977 -13.525 1.00 0.00 H new ATOM 0 HD2 PRO A 116 2.588 7.851 -13.548 1.00 0.00 H new ATOM 0 HD3 PRO A 116 1.170 7.017 -12.945 1.00 0.00 H new ATOM 1629 N VAL A 117 5.867 6.244 -10.000 1.00 0.00 N ATOM 1630 CA VAL A 117 7.221 6.814 -9.729 1.00 0.00 C ATOM 1631 C VAL A 117 8.313 5.932 -10.272 1.00 0.00 C ATOM 1632 O VAL A 117 9.479 6.271 -10.224 1.00 0.00 O ATOM 1633 CB VAL A 117 7.408 6.928 -8.224 1.00 0.00 C ATOM 1634 CG1 VAL A 117 7.777 8.371 -7.879 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.107 6.545 -7.512 1.00 0.00 C ATOM 0 H VAL A 117 5.675 5.343 -9.563 1.00 0.00 H new ATOM 0 HA VAL A 117 7.284 7.787 -10.217 1.00 0.00 H new ATOM 0 HB VAL A 117 8.202 6.256 -7.899 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.913 8.464 -6.802 1.00 0.00 H new ATOM 0 HG12 VAL A 117 8.703 8.641 -8.387 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.978 9.038 -8.202 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.244 6.628 -6.434 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.308 7.215 -7.829 1.00 0.00 H new ATOM 0 HG23 VAL A 117 5.842 5.519 -7.766 1.00 0.00 H new ATOM 1645 N SER A 118 7.918 4.829 -10.763 1.00 0.00 N ATOM 1646 CA SER A 118 8.901 3.873 -11.330 1.00 0.00 C ATOM 1647 C SER A 118 9.722 4.514 -12.426 1.00 0.00 C ATOM 1648 O SER A 118 9.871 5.716 -12.473 1.00 0.00 O ATOM 1649 CB SER A 118 8.145 2.689 -11.921 1.00 0.00 C ATOM 1650 OG SER A 118 9.066 1.609 -11.837 1.00 0.00 O ATOM 0 H SER A 118 6.945 4.527 -10.805 1.00 0.00 H new ATOM 0 HA SER A 118 9.573 3.555 -10.533 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.233 2.479 -11.361 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.849 2.880 -12.952 1.00 0.00 H new ATOM 0 HG SER A 118 9.214 1.378 -10.896 1.00 0.00 H new ATOM 1656 N LYS A 119 10.231 3.688 -13.295 1.00 0.00 N ATOM 1657 CA LYS A 119 11.057 4.203 -14.416 1.00 0.00 C ATOM 1658 C LYS A 119 10.557 3.653 -15.746 1.00 0.00 C ATOM 1659 O LYS A 119 11.255 3.696 -16.740 1.00 0.00 O ATOM 1660 CB LYS A 119 12.519 3.735 -14.207 1.00 0.00 C ATOM 1661 CG LYS A 119 12.946 3.918 -12.728 1.00 0.00 C ATOM 1662 CD LYS A 119 13.131 5.416 -12.430 1.00 0.00 C ATOM 1663 CE LYS A 119 13.627 5.610 -10.985 1.00 0.00 C ATOM 1664 NZ LYS A 119 14.126 4.330 -10.408 1.00 0.00 N ATOM 0 H LYS A 119 10.109 2.675 -13.276 1.00 0.00 H new ATOM 0 HA LYS A 119 10.993 5.291 -14.434 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.615 2.687 -14.492 1.00 0.00 H new ATOM 0 HB3 LYS A 119 13.185 4.304 -14.856 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.191 3.495 -12.065 1.00 0.00 H new ATOM 0 HG3 LYS A 119 13.875 3.381 -12.537 1.00 0.00 H new ATOM 0 HD2 LYS A 119 13.846 5.848 -13.130 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.187 5.943 -12.573 1.00 0.00 H new ATOM 0 HE2 LYS A 119 14.423 6.354 -10.968 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.816 5.998 -10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 14.515 4.505 -9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.341 3.651 -10.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 14.870 3.940 -11.021 1.00 0.00 H new ATOM 1678 N TYR A 120 9.355 3.139 -15.742 1.00 0.00 N ATOM 1679 CA TYR A 120 8.797 2.583 -16.997 1.00 0.00 C ATOM 1680 C TYR A 120 8.188 3.685 -17.855 1.00 0.00 C ATOM 1681 O TYR A 120 7.497 3.321 -18.795 1.00 0.00 O ATOM 1682 CB TYR A 120 7.704 1.579 -16.638 1.00 0.00 C ATOM 1683 CG TYR A 120 8.054 0.221 -17.245 1.00 0.00 C ATOM 1684 CD1 TYR A 120 9.132 -0.496 -16.774 1.00 0.00 C ATOM 1685 CD2 TYR A 120 7.303 -0.300 -18.280 1.00 0.00 C ATOM 1686 CE1 TYR A 120 9.459 -1.717 -17.329 1.00 0.00 C ATOM 1687 CE2 TYR A 120 7.629 -1.519 -18.834 1.00 0.00 C ATOM 1688 CZ TYR A 120 8.710 -2.238 -18.362 1.00 0.00 C ATOM 1689 OH TYR A 120 9.035 -3.458 -18.918 1.00 0.00 O ATOM 1690 OXT TYR A 120 8.445 4.830 -17.527 1.00 0.00 O ATOM 0 H TYR A 120 8.744 3.083 -14.927 1.00 0.00 H new ATOM 0 HA TYR A 120 9.599 2.105 -17.560 1.00 0.00 H new ATOM 0 HB2 TYR A 120 7.612 1.494 -15.555 1.00 0.00 H new ATOM 0 HB3 TYR A 120 6.740 1.922 -17.014 1.00 0.00 H new ATOM 0 HD1 TYR A 120 9.726 -0.100 -15.964 1.00 0.00 H new ATOM 0 HD2 TYR A 120 6.455 0.251 -18.658 1.00 0.00 H new ATOM 0 HE1 TYR A 120 10.308 -2.268 -16.951 1.00 0.00 H new ATOM 0 HE2 TYR A 120 7.034 -1.915 -19.644 1.00 0.00 H new ATOM 0 HH TYR A 120 8.400 -3.671 -19.633 1.00 0.00 H new TER 1700 TYR A 120