USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 715 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 36 ASN : amide:sc= 0.724 K(o=1.5,f=-4.7!) USER MOD Set 1.2: A 40 LYS NZ :NH3+ -137:sc= 0.797 (180deg=0) USER MOD Single : A 16 SER OG : rot -45:sc= 0.195 USER MOD Single : A 22 ASN : amide:sc= 0.0122 K(o=0.012,f=-0.57) USER MOD Single : A 25 GLN : amide:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 43 SER OG : rot 60:sc= 1.22 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0.189 (180deg=0.189) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 53 TYR OH : rot 15:sc= -0.169 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 41:sc= 0.927 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc=-0.00516 (180deg=-0.00516) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 174:sc= -0.893 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.0996 X(o=-0.1,f=-0.12) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 1.14 K(o=1.1,f=-0.052) USER MOD Single : A 84 TYR OH : rot -36:sc= -0.123 USER MOD Single : A 85 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.112) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0636 X(o=-0.064,f=-0.064) USER MOD Single : B 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00655) USER MOD Single : B 51 ASN : amide:sc= 0.0701 X(o=0.07,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 15 17.466 -14.063 -15.360 1.00 0.00 N ATOM 2 CA ASP A 15 17.397 -13.740 -13.929 1.00 0.00 C ATOM 3 C ASP A 15 17.683 -14.901 -12.949 1.00 0.00 C ATOM 4 O ASP A 15 17.393 -14.814 -11.763 1.00 0.00 O ATOM 5 CB ASP A 15 16.084 -12.993 -13.660 1.00 0.00 C ATOM 6 CG ASP A 15 16.088 -11.600 -14.303 1.00 0.00 C ATOM 7 OD1 ASP A 15 15.904 -11.533 -15.540 1.00 0.00 O ATOM 8 OD2 ASP A 15 16.343 -10.620 -13.566 1.00 0.00 O ATOM 0 HA ASP A 15 18.240 -13.086 -13.706 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.248 -13.573 -14.051 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.932 -12.898 -12.585 1.00 0.00 H new ATOM 13 N SER A 16 18.303 -15.975 -13.433 1.00 0.00 N ATOM 14 CA SER A 16 18.597 -17.217 -12.710 1.00 0.00 C ATOM 15 C SER A 16 20.077 -17.610 -12.755 1.00 0.00 C ATOM 16 O SER A 16 20.437 -18.721 -12.355 1.00 0.00 O ATOM 17 CB SER A 16 17.705 -18.334 -13.267 1.00 0.00 C ATOM 18 OG SER A 16 17.608 -19.398 -12.340 1.00 0.00 O ATOM 0 H SER A 16 18.634 -16.007 -14.397 1.00 0.00 H new ATOM 0 HA SER A 16 18.377 -17.053 -11.655 1.00 0.00 H new ATOM 0 HB2 SER A 16 16.712 -17.941 -13.484 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.115 -18.700 -14.208 1.00 0.00 H new ATOM 0 HG SER A 16 18.496 -19.599 -11.979 1.00 0.00 H new ATOM 24 N VAL A 17 20.939 -16.719 -13.256 1.00 0.00 N ATOM 25 CA VAL A 17 22.367 -16.984 -13.468 1.00 0.00 C ATOM 26 C VAL A 17 23.229 -15.767 -13.141 1.00 0.00 C ATOM 27 O VAL A 17 22.714 -14.649 -13.064 1.00 0.00 O ATOM 28 CB VAL A 17 22.621 -17.445 -14.912 1.00 0.00 C ATOM 29 CG1 VAL A 17 21.643 -18.525 -15.363 1.00 0.00 C ATOM 30 CG2 VAL A 17 22.559 -16.286 -15.918 1.00 0.00 C ATOM 0 H VAL A 17 20.660 -15.777 -13.530 1.00 0.00 H new ATOM 0 HA VAL A 17 22.653 -17.782 -12.784 1.00 0.00 H new ATOM 0 HB VAL A 17 23.630 -17.858 -14.899 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.868 -18.814 -16.390 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.736 -19.395 -14.713 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.625 -18.139 -15.309 1.00 0.00 H new ATOM 0 HG21 VAL A 17 22.745 -16.666 -16.923 1.00 0.00 H new ATOM 0 HG22 VAL A 17 21.572 -15.825 -15.882 1.00 0.00 H new ATOM 0 HG23 VAL A 17 23.316 -15.544 -15.665 1.00 0.00 H new ATOM 40 N ILE A 18 24.539 -15.962 -13.006 1.00 0.00 N ATOM 41 CA ILE A 18 25.506 -14.897 -12.718 1.00 0.00 C ATOM 42 C ILE A 18 26.694 -14.951 -13.681 1.00 0.00 C ATOM 43 O ILE A 18 27.055 -16.013 -14.207 1.00 0.00 O ATOM 44 CB ILE A 18 25.971 -14.933 -11.243 1.00 0.00 C ATOM 45 CG1 ILE A 18 26.884 -16.139 -10.924 1.00 0.00 C ATOM 46 CG2 ILE A 18 24.749 -14.941 -10.307 1.00 0.00 C ATOM 47 CD1 ILE A 18 27.625 -16.020 -9.589 1.00 0.00 C ATOM 0 H ILE A 18 24.970 -16.882 -13.095 1.00 0.00 H new ATOM 0 HA ILE A 18 24.999 -13.945 -12.873 1.00 0.00 H new ATOM 0 HB ILE A 18 26.565 -14.034 -11.079 1.00 0.00 H new ATOM 0 HG12 ILE A 18 26.280 -17.047 -10.914 1.00 0.00 H new ATOM 0 HG13 ILE A 18 27.615 -16.251 -11.725 1.00 0.00 H new ATOM 0 HG21 ILE A 18 25.085 -14.966 -9.270 1.00 0.00 H new ATOM 0 HG22 ILE A 18 24.156 -14.042 -10.475 1.00 0.00 H new ATOM 0 HG23 ILE A 18 24.139 -15.821 -10.512 1.00 0.00 H new ATOM 0 HD11 ILE A 18 28.245 -16.904 -9.437 1.00 0.00 H new ATOM 0 HD12 ILE A 18 28.257 -15.132 -9.601 1.00 0.00 H new ATOM 0 HD13 ILE A 18 26.902 -15.940 -8.777 1.00 0.00 H new ATOM 59 N VAL A 19 27.336 -13.804 -13.869 1.00 0.00 N ATOM 60 CA VAL A 19 28.531 -13.632 -14.689 1.00 0.00 C ATOM 61 C VAL A 19 29.508 -12.722 -13.966 1.00 0.00 C ATOM 62 O VAL A 19 29.103 -11.766 -13.302 1.00 0.00 O ATOM 63 CB VAL A 19 28.162 -13.029 -16.054 1.00 0.00 C ATOM 64 CG1 VAL A 19 29.393 -12.880 -16.951 1.00 0.00 C ATOM 65 CG2 VAL A 19 27.194 -13.934 -16.804 1.00 0.00 C ATOM 0 H VAL A 19 27.027 -12.933 -13.437 1.00 0.00 H new ATOM 0 HA VAL A 19 28.993 -14.605 -14.856 1.00 0.00 H new ATOM 0 HB VAL A 19 27.715 -12.057 -15.846 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.096 -12.451 -17.908 1.00 0.00 H new ATOM 0 HG12 VAL A 19 30.118 -12.224 -16.468 1.00 0.00 H new ATOM 0 HG13 VAL A 19 29.843 -13.859 -17.116 1.00 0.00 H new ATOM 0 HG21 VAL A 19 26.948 -13.486 -17.767 1.00 0.00 H new ATOM 0 HG22 VAL A 19 27.657 -14.908 -16.965 1.00 0.00 H new ATOM 0 HG23 VAL A 19 26.283 -14.058 -16.218 1.00 0.00 H new ATOM 75 N VAL A 20 30.797 -12.997 -14.121 1.00 0.00 N ATOM 76 CA VAL A 20 31.876 -12.212 -13.526 1.00 0.00 C ATOM 77 C VAL A 20 32.840 -11.779 -14.629 1.00 0.00 C ATOM 78 O VAL A 20 33.050 -12.502 -15.606 1.00 0.00 O ATOM 79 CB VAL A 20 32.578 -12.967 -12.364 1.00 0.00 C ATOM 80 CG1 VAL A 20 31.742 -14.118 -11.767 1.00 0.00 C ATOM 81 CG2 VAL A 20 33.950 -13.526 -12.753 1.00 0.00 C ATOM 0 H VAL A 20 31.130 -13.787 -14.674 1.00 0.00 H new ATOM 0 HA VAL A 20 31.459 -11.317 -13.065 1.00 0.00 H new ATOM 0 HB VAL A 20 32.699 -12.195 -11.604 1.00 0.00 H new ATOM 0 HG11 VAL A 20 32.301 -14.594 -10.962 1.00 0.00 H new ATOM 0 HG12 VAL A 20 30.806 -13.722 -11.373 1.00 0.00 H new ATOM 0 HG13 VAL A 20 31.527 -14.852 -12.543 1.00 0.00 H new ATOM 0 HG21 VAL A 20 34.388 -14.042 -11.899 1.00 0.00 H new ATOM 0 HG22 VAL A 20 33.836 -14.226 -13.580 1.00 0.00 H new ATOM 0 HG23 VAL A 20 34.603 -12.708 -13.057 1.00 0.00 H new ATOM 91 N ASP A 21 33.470 -10.628 -14.423 1.00 0.00 N ATOM 92 CA ASP A 21 34.457 -10.045 -15.325 1.00 0.00 C ATOM 93 C ASP A 21 35.766 -9.757 -14.573 1.00 0.00 C ATOM 94 O ASP A 21 35.805 -9.875 -13.346 1.00 0.00 O ATOM 95 CB ASP A 21 33.840 -8.783 -15.959 1.00 0.00 C ATOM 96 CG ASP A 21 34.227 -8.629 -17.430 1.00 0.00 C ATOM 97 OD1 ASP A 21 35.449 -8.659 -17.701 1.00 0.00 O ATOM 98 OD2 ASP A 21 33.300 -8.499 -18.258 1.00 0.00 O ATOM 0 H ASP A 21 33.302 -10.056 -13.596 1.00 0.00 H new ATOM 0 HA ASP A 21 34.715 -10.741 -16.123 1.00 0.00 H new ATOM 0 HB2 ASP A 21 32.754 -8.829 -15.873 1.00 0.00 H new ATOM 0 HB3 ASP A 21 34.167 -7.903 -15.405 1.00 0.00 H new ATOM 103 N ASN A 22 36.820 -9.355 -15.293 1.00 0.00 N ATOM 104 CA ASN A 22 38.183 -9.150 -14.777 1.00 0.00 C ATOM 105 C ASN A 22 38.764 -10.373 -14.039 1.00 0.00 C ATOM 106 O ASN A 22 39.546 -10.192 -13.108 1.00 0.00 O ATOM 107 CB ASN A 22 38.234 -7.878 -13.901 1.00 0.00 C ATOM 108 CG ASN A 22 38.061 -6.575 -14.648 1.00 0.00 C ATOM 109 OD1 ASN A 22 38.033 -6.506 -15.866 1.00 0.00 O ATOM 110 ND2 ASN A 22 37.987 -5.490 -13.906 1.00 0.00 N ATOM 0 H ASN A 22 36.746 -9.155 -16.291 1.00 0.00 H new ATOM 0 HA ASN A 22 38.828 -9.014 -15.645 1.00 0.00 H new ATOM 0 HB2 ASN A 22 37.456 -7.948 -13.141 1.00 0.00 H new ATOM 0 HB3 ASN A 22 39.190 -7.854 -13.378 1.00 0.00 H new ATOM 0 HD21 ASN A 22 37.905 -4.574 -14.348 1.00 0.00 H new ATOM 0 HD22 ASN A 22 38.012 -5.565 -12.889 1.00 0.00 H new ATOM 117 N VAL A 23 38.414 -11.605 -14.436 1.00 0.00 N ATOM 118 CA VAL A 23 38.894 -12.850 -13.807 1.00 0.00 C ATOM 119 C VAL A 23 39.974 -13.527 -14.667 1.00 0.00 C ATOM 120 O VAL A 23 39.678 -14.448 -15.425 1.00 0.00 O ATOM 121 CB VAL A 23 37.720 -13.750 -13.361 1.00 0.00 C ATOM 122 CG1 VAL A 23 36.743 -14.109 -14.485 1.00 0.00 C ATOM 123 CG2 VAL A 23 38.176 -15.072 -12.738 1.00 0.00 C ATOM 0 H VAL A 23 37.778 -11.770 -15.217 1.00 0.00 H new ATOM 0 HA VAL A 23 39.406 -12.611 -12.875 1.00 0.00 H new ATOM 0 HB VAL A 23 37.215 -13.130 -12.621 1.00 0.00 H new ATOM 0 HG11 VAL A 23 35.949 -14.742 -14.089 1.00 0.00 H new ATOM 0 HG12 VAL A 23 36.309 -13.197 -14.895 1.00 0.00 H new ATOM 0 HG13 VAL A 23 37.275 -14.644 -15.272 1.00 0.00 H new ATOM 0 HG21 VAL A 23 37.304 -15.657 -12.447 1.00 0.00 H new ATOM 0 HG22 VAL A 23 38.763 -15.633 -13.465 1.00 0.00 H new ATOM 0 HG23 VAL A 23 38.787 -14.868 -11.858 1.00 0.00 H new ATOM 133 N PRO A 24 41.245 -13.082 -14.597 1.00 0.00 N ATOM 134 CA PRO A 24 42.323 -13.725 -15.334 1.00 0.00 C ATOM 135 C PRO A 24 42.594 -15.140 -14.807 1.00 0.00 C ATOM 136 O PRO A 24 42.493 -15.399 -13.606 1.00 0.00 O ATOM 137 CB PRO A 24 43.550 -12.826 -15.192 1.00 0.00 C ATOM 138 CG PRO A 24 43.303 -12.122 -13.861 1.00 0.00 C ATOM 139 CD PRO A 24 41.785 -11.965 -13.839 1.00 0.00 C ATOM 0 HA PRO A 24 42.057 -13.845 -16.384 1.00 0.00 H new ATOM 0 HB2 PRO A 24 44.475 -13.403 -15.179 1.00 0.00 H new ATOM 0 HB3 PRO A 24 43.629 -12.117 -16.016 1.00 0.00 H new ATOM 0 HG2 PRO A 24 43.661 -12.713 -13.018 1.00 0.00 H new ATOM 0 HG3 PRO A 24 43.810 -11.158 -13.813 1.00 0.00 H new ATOM 0 HD2 PRO A 24 41.409 -11.972 -12.816 1.00 0.00 H new ATOM 0 HD3 PRO A 24 41.487 -11.015 -14.282 1.00 0.00 H new ATOM 147 N GLN A 25 42.971 -16.055 -15.708 1.00 0.00 N ATOM 148 CA GLN A 25 43.417 -17.399 -15.324 1.00 0.00 C ATOM 149 C GLN A 25 44.724 -17.348 -14.509 1.00 0.00 C ATOM 150 O GLN A 25 45.441 -16.345 -14.527 1.00 0.00 O ATOM 151 CB GLN A 25 43.564 -18.253 -16.593 1.00 0.00 C ATOM 152 CG GLN A 25 43.069 -19.704 -16.482 1.00 0.00 C ATOM 153 CD GLN A 25 44.151 -20.749 -16.272 1.00 0.00 C ATOM 154 OE1 GLN A 25 44.110 -21.494 -15.308 1.00 0.00 O ATOM 155 NE2 GLN A 25 45.112 -20.858 -17.168 1.00 0.00 N ATOM 0 H GLN A 25 42.976 -15.887 -16.714 1.00 0.00 H new ATOM 0 HA GLN A 25 42.672 -17.857 -14.673 1.00 0.00 H new ATOM 0 HB2 GLN A 25 43.021 -17.764 -17.402 1.00 0.00 H new ATOM 0 HB3 GLN A 25 44.616 -18.268 -16.878 1.00 0.00 H new ATOM 0 HG2 GLN A 25 42.362 -19.766 -15.654 1.00 0.00 H new ATOM 0 HG3 GLN A 25 42.519 -19.953 -17.390 1.00 0.00 H new ATOM 0 HE21 GLN A 25 45.135 -20.228 -17.970 1.00 0.00 H new ATOM 0 HE22 GLN A 25 45.832 -21.572 -17.059 1.00 0.00 H new ATOM 164 N VAL A 26 45.060 -18.441 -13.818 1.00 0.00 N ATOM 165 CA VAL A 26 46.202 -18.513 -12.892 1.00 0.00 C ATOM 166 C VAL A 26 47.003 -19.795 -13.116 1.00 0.00 C ATOM 167 O VAL A 26 46.534 -20.721 -13.771 1.00 0.00 O ATOM 168 CB VAL A 26 45.735 -18.402 -11.423 1.00 0.00 C ATOM 169 CG1 VAL A 26 45.044 -17.063 -11.135 1.00 0.00 C ATOM 170 CG2 VAL A 26 44.795 -19.551 -11.027 1.00 0.00 C ATOM 0 H VAL A 26 44.540 -19.316 -13.885 1.00 0.00 H new ATOM 0 HA VAL A 26 46.856 -17.665 -13.098 1.00 0.00 H new ATOM 0 HB VAL A 26 46.641 -18.465 -10.821 1.00 0.00 H new ATOM 0 HG11 VAL A 26 44.733 -17.031 -10.091 1.00 0.00 H new ATOM 0 HG12 VAL A 26 45.738 -16.246 -11.332 1.00 0.00 H new ATOM 0 HG13 VAL A 26 44.169 -16.959 -11.777 1.00 0.00 H new ATOM 0 HG21 VAL A 26 44.493 -19.432 -9.987 1.00 0.00 H new ATOM 0 HG22 VAL A 26 43.912 -19.535 -11.666 1.00 0.00 H new ATOM 0 HG23 VAL A 26 45.313 -20.503 -11.147 1.00 0.00 H new ATOM 180 N GLY A 27 48.220 -19.859 -12.573 1.00 0.00 N ATOM 181 CA GLY A 27 49.087 -21.026 -12.720 1.00 0.00 C ATOM 182 C GLY A 27 48.687 -22.217 -11.825 1.00 0.00 C ATOM 183 O GLY A 27 47.624 -22.220 -11.193 1.00 0.00 O ATOM 0 H GLY A 27 48.630 -19.105 -12.021 1.00 0.00 H new ATOM 0 HA2 GLY A 27 49.075 -21.347 -13.762 1.00 0.00 H new ATOM 0 HA3 GLY A 27 50.112 -20.737 -12.487 1.00 0.00 H new ATOM 187 N PRO A 28 49.544 -23.256 -11.775 1.00 0.00 N ATOM 188 CA PRO A 28 49.322 -24.430 -10.939 1.00 0.00 C ATOM 189 C PRO A 28 49.331 -24.090 -9.446 1.00 0.00 C ATOM 190 O PRO A 28 49.711 -22.989 -9.048 1.00 0.00 O ATOM 191 CB PRO A 28 50.418 -25.425 -11.314 1.00 0.00 C ATOM 192 CG PRO A 28 51.553 -24.527 -11.796 1.00 0.00 C ATOM 193 CD PRO A 28 50.811 -23.376 -12.478 1.00 0.00 C ATOM 0 HA PRO A 28 48.333 -24.854 -11.115 1.00 0.00 H new ATOM 0 HB2 PRO A 28 50.720 -26.032 -10.461 1.00 0.00 H new ATOM 0 HB3 PRO A 28 50.089 -26.112 -12.094 1.00 0.00 H new ATOM 0 HG2 PRO A 28 52.170 -24.176 -10.969 1.00 0.00 H new ATOM 0 HG3 PRO A 28 52.214 -25.048 -12.488 1.00 0.00 H new ATOM 0 HD2 PRO A 28 51.383 -22.450 -12.416 1.00 0.00 H new ATOM 0 HD3 PRO A 28 50.654 -23.584 -13.536 1.00 0.00 H new ATOM 201 N ASP A 29 48.893 -25.047 -8.617 1.00 0.00 N ATOM 202 CA ASP A 29 48.800 -24.903 -7.156 1.00 0.00 C ATOM 203 C ASP A 29 47.759 -23.844 -6.736 1.00 0.00 C ATOM 204 O ASP A 29 47.690 -23.478 -5.567 1.00 0.00 O ATOM 205 CB ASP A 29 50.207 -24.629 -6.572 1.00 0.00 C ATOM 206 CG ASP A 29 50.450 -25.289 -5.216 1.00 0.00 C ATOM 207 OD1 ASP A 29 50.663 -26.523 -5.222 1.00 0.00 O ATOM 208 OD2 ASP A 29 50.469 -24.559 -4.201 1.00 0.00 O ATOM 0 H ASP A 29 48.587 -25.962 -8.949 1.00 0.00 H new ATOM 0 HA ASP A 29 48.436 -25.840 -6.735 1.00 0.00 H new ATOM 0 HB2 ASP A 29 50.958 -24.983 -7.278 1.00 0.00 H new ATOM 0 HB3 ASP A 29 50.345 -23.552 -6.472 1.00 0.00 H new ATOM 213 N ARG A 30 46.954 -23.340 -7.684 1.00 0.00 N ATOM 214 CA ARG A 30 45.938 -22.295 -7.473 1.00 0.00 C ATOM 215 C ARG A 30 44.741 -22.391 -8.426 1.00 0.00 C ATOM 216 O ARG A 30 43.631 -22.034 -8.032 1.00 0.00 O ATOM 217 CB ARG A 30 46.629 -20.924 -7.584 1.00 0.00 C ATOM 218 CG ARG A 30 45.712 -19.742 -7.231 1.00 0.00 C ATOM 219 CD ARG A 30 46.496 -18.423 -7.217 1.00 0.00 C ATOM 220 NE ARG A 30 45.868 -17.446 -6.310 1.00 0.00 N ATOM 221 CZ ARG A 30 46.452 -16.392 -5.746 1.00 0.00 C ATOM 222 NH1 ARG A 30 47.673 -16.010 -6.055 1.00 0.00 N ATOM 223 NH2 ARG A 30 45.802 -15.692 -4.844 1.00 0.00 N ATOM 0 H ARG A 30 46.993 -23.659 -8.652 1.00 0.00 H new ATOM 0 HA ARG A 30 45.513 -22.436 -6.479 1.00 0.00 H new ATOM 0 HB2 ARG A 30 47.497 -20.909 -6.924 1.00 0.00 H new ATOM 0 HB3 ARG A 30 46.999 -20.795 -8.601 1.00 0.00 H new ATOM 0 HG2 ARG A 30 44.900 -19.679 -7.955 1.00 0.00 H new ATOM 0 HG3 ARG A 30 45.257 -19.909 -6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 30 47.523 -18.609 -6.902 1.00 0.00 H new ATOM 0 HD3 ARG A 30 46.541 -18.012 -8.225 1.00 0.00 H new ATOM 0 HE ARG A 30 44.883 -17.593 -6.092 1.00 0.00 H new ATOM 0 HH11 ARG A 30 48.209 -16.528 -6.751 1.00 0.00 H new ATOM 0 HH12 ARG A 30 48.083 -15.195 -5.598 1.00 0.00 H new ATOM 0 HH21 ARG A 30 44.854 -15.957 -4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 30 46.246 -14.883 -4.409 1.00 0.00 H new ATOM 237 N LEU A 31 44.928 -22.908 -9.647 1.00 0.00 N ATOM 238 CA LEU A 31 43.851 -23.088 -10.634 1.00 0.00 C ATOM 239 C LEU A 31 42.635 -23.865 -10.100 1.00 0.00 C ATOM 240 O LEU A 31 41.511 -23.600 -10.514 1.00 0.00 O ATOM 241 CB LEU A 31 44.405 -23.715 -11.929 1.00 0.00 C ATOM 242 CG LEU A 31 44.585 -25.248 -11.925 1.00 0.00 C ATOM 243 CD1 LEU A 31 45.093 -25.715 -13.285 1.00 0.00 C ATOM 244 CD2 LEU A 31 45.606 -25.694 -10.883 1.00 0.00 C ATOM 0 H LEU A 31 45.840 -23.217 -9.983 1.00 0.00 H new ATOM 0 HA LEU A 31 43.471 -22.091 -10.858 1.00 0.00 H new ATOM 0 HB2 LEU A 31 43.738 -23.451 -12.749 1.00 0.00 H new ATOM 0 HB3 LEU A 31 45.371 -23.258 -12.144 1.00 0.00 H new ATOM 0 HG LEU A 31 43.612 -25.681 -11.693 1.00 0.00 H new ATOM 0 HD11 LEU A 31 45.218 -26.798 -13.275 1.00 0.00 H new ATOM 0 HD12 LEU A 31 44.374 -25.440 -14.056 1.00 0.00 H new ATOM 0 HD13 LEU A 31 46.051 -25.241 -13.498 1.00 0.00 H new ATOM 0 HD21 LEU A 31 45.704 -26.779 -10.911 1.00 0.00 H new ATOM 0 HD22 LEU A 31 46.571 -25.236 -11.100 1.00 0.00 H new ATOM 0 HD23 LEU A 31 45.273 -25.386 -9.892 1.00 0.00 H new ATOM 256 N GLU A 32 42.843 -24.791 -9.154 1.00 0.00 N ATOM 257 CA GLU A 32 41.756 -25.547 -8.527 1.00 0.00 C ATOM 258 C GLU A 32 40.913 -24.640 -7.633 1.00 0.00 C ATOM 259 O GLU A 32 39.682 -24.663 -7.700 1.00 0.00 O ATOM 260 CB GLU A 32 42.300 -26.696 -7.668 1.00 0.00 C ATOM 261 CG GLU A 32 43.217 -27.667 -8.431 1.00 0.00 C ATOM 262 CD GLU A 32 44.644 -27.677 -7.866 1.00 0.00 C ATOM 263 OE1 GLU A 32 45.192 -26.566 -7.668 1.00 0.00 O ATOM 264 OE2 GLU A 32 45.168 -28.790 -7.645 1.00 0.00 O ATOM 0 H GLU A 32 43.769 -25.035 -8.804 1.00 0.00 H new ATOM 0 HA GLU A 32 41.144 -25.953 -9.333 1.00 0.00 H new ATOM 0 HB2 GLU A 32 42.851 -26.277 -6.826 1.00 0.00 H new ATOM 0 HB3 GLU A 32 41.461 -27.255 -7.253 1.00 0.00 H new ATOM 0 HG2 GLU A 32 42.801 -28.673 -8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 32 43.246 -27.386 -9.484 1.00 0.00 H new ATOM 271 N LYS A 33 41.602 -23.818 -6.824 1.00 0.00 N ATOM 272 CA LYS A 33 41.029 -22.799 -5.952 1.00 0.00 C ATOM 273 C LYS A 33 40.138 -21.853 -6.741 1.00 0.00 C ATOM 274 O LYS A 33 39.071 -21.551 -6.245 1.00 0.00 O ATOM 275 CB LYS A 33 42.136 -22.035 -5.200 1.00 0.00 C ATOM 276 CG LYS A 33 42.047 -22.164 -3.675 1.00 0.00 C ATOM 277 CD LYS A 33 42.409 -23.575 -3.191 1.00 0.00 C ATOM 278 CE LYS A 33 42.856 -23.516 -1.727 1.00 0.00 C ATOM 279 NZ LYS A 33 44.107 -24.267 -1.510 1.00 0.00 N ATOM 0 H LYS A 33 42.620 -23.854 -6.763 1.00 0.00 H new ATOM 0 HA LYS A 33 40.407 -23.296 -5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 33 43.108 -22.402 -5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.085 -20.980 -5.470 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.716 -21.440 -3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 33 41.036 -21.918 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 33 41.549 -24.237 -3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 33 43.206 -23.989 -3.809 1.00 0.00 H new ATOM 0 HE2 LYS A 33 42.999 -22.477 -1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 33 42.071 -23.924 -1.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.380 -24.205 -0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.963 -25.264 -1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.862 -23.862 -2.100 1.00 0.00 H new ATOM 293 N LEU A 34 40.508 -21.466 -7.968 1.00 0.00 N ATOM 294 CA LEU A 34 39.721 -20.589 -8.845 1.00 0.00 C ATOM 295 C LEU A 34 38.229 -20.991 -8.901 1.00 0.00 C ATOM 296 O LEU A 34 37.369 -20.163 -8.616 1.00 0.00 O ATOM 297 CB LEU A 34 40.368 -20.554 -10.247 1.00 0.00 C ATOM 298 CG LEU A 34 40.435 -19.183 -10.952 1.00 0.00 C ATOM 299 CD1 LEU A 34 40.754 -19.411 -12.434 1.00 0.00 C ATOM 300 CD2 LEU A 34 39.141 -18.369 -10.849 1.00 0.00 C ATOM 0 H LEU A 34 41.388 -21.762 -8.390 1.00 0.00 H new ATOM 0 HA LEU A 34 39.733 -19.583 -8.427 1.00 0.00 H new ATOM 0 HB2 LEU A 34 41.383 -20.941 -10.162 1.00 0.00 H new ATOM 0 HB3 LEU A 34 39.818 -21.240 -10.891 1.00 0.00 H new ATOM 0 HG LEU A 34 41.210 -18.606 -10.447 1.00 0.00 H new ATOM 0 HD11 LEU A 34 40.805 -18.451 -12.947 1.00 0.00 H new ATOM 0 HD12 LEU A 34 41.712 -19.923 -12.525 1.00 0.00 H new ATOM 0 HD13 LEU A 34 39.972 -20.022 -12.885 1.00 0.00 H new ATOM 0 HD21 LEU A 34 39.266 -17.419 -11.368 1.00 0.00 H new ATOM 0 HD22 LEU A 34 38.323 -18.927 -11.305 1.00 0.00 H new ATOM 0 HD23 LEU A 34 38.912 -18.181 -9.800 1.00 0.00 H new ATOM 312 N LYS A 35 37.917 -22.255 -9.232 1.00 0.00 N ATOM 313 CA LYS A 35 36.540 -22.796 -9.234 1.00 0.00 C ATOM 314 C LYS A 35 36.086 -23.293 -7.857 1.00 0.00 C ATOM 315 O LYS A 35 34.892 -23.247 -7.562 1.00 0.00 O ATOM 316 CB LYS A 35 36.398 -23.838 -10.362 1.00 0.00 C ATOM 317 CG LYS A 35 35.085 -24.652 -10.407 1.00 0.00 C ATOM 318 CD LYS A 35 35.090 -25.861 -9.450 1.00 0.00 C ATOM 319 CE LYS A 35 34.490 -27.120 -10.086 1.00 0.00 C ATOM 320 NZ LYS A 35 34.846 -28.321 -9.302 1.00 0.00 N ATOM 0 H LYS A 35 38.619 -22.941 -9.509 1.00 0.00 H new ATOM 0 HA LYS A 35 35.846 -21.984 -9.449 1.00 0.00 H new ATOM 0 HB2 LYS A 35 36.509 -23.322 -11.315 1.00 0.00 H new ATOM 0 HB3 LYS A 35 37.228 -24.539 -10.281 1.00 0.00 H new ATOM 0 HG2 LYS A 35 34.250 -23.998 -10.153 1.00 0.00 H new ATOM 0 HG3 LYS A 35 34.917 -25.003 -11.425 1.00 0.00 H new ATOM 0 HD2 LYS A 35 36.114 -26.069 -9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 35 34.528 -25.610 -8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 35 33.406 -27.024 -10.142 1.00 0.00 H new ATOM 0 HE3 LYS A 35 34.853 -27.226 -11.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.430 -29.163 -9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 35.881 -28.421 -9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.478 -28.225 -8.334 1.00 0.00 H new ATOM 334 N ASN A 36 37.005 -23.724 -6.986 1.00 0.00 N ATOM 335 CA ASN A 36 36.655 -24.097 -5.615 1.00 0.00 C ATOM 336 C ASN A 36 36.132 -22.912 -4.797 1.00 0.00 C ATOM 337 O ASN A 36 35.012 -23.005 -4.300 1.00 0.00 O ATOM 338 CB ASN A 36 37.824 -24.795 -4.903 1.00 0.00 C ATOM 339 CG ASN A 36 37.559 -26.281 -4.769 1.00 0.00 C ATOM 340 OD1 ASN A 36 36.905 -26.730 -3.846 1.00 0.00 O ATOM 341 ND2 ASN A 36 37.975 -27.078 -5.730 1.00 0.00 N ATOM 0 H ASN A 36 37.996 -23.822 -7.208 1.00 0.00 H new ATOM 0 HA ASN A 36 35.835 -24.812 -5.690 1.00 0.00 H new ATOM 0 HB2 ASN A 36 38.745 -24.634 -5.462 1.00 0.00 H new ATOM 0 HB3 ASN A 36 37.969 -24.356 -3.916 1.00 0.00 H new ATOM 0 HD21 ASN A 36 37.749 -28.072 -5.701 1.00 0.00 H new ATOM 0 HD22 ASN A 36 38.523 -26.701 -6.503 1.00 0.00 H new ATOM 348 N VAL A 37 36.886 -21.808 -4.676 1.00 0.00 N ATOM 349 CA VAL A 37 36.503 -20.623 -3.890 1.00 0.00 C ATOM 350 C VAL A 37 35.127 -20.118 -4.285 1.00 0.00 C ATOM 351 O VAL A 37 34.368 -19.737 -3.401 1.00 0.00 O ATOM 352 CB VAL A 37 37.529 -19.468 -3.915 1.00 0.00 C ATOM 353 CG1 VAL A 37 38.886 -19.920 -3.361 1.00 0.00 C ATOM 354 CG2 VAL A 37 37.706 -18.783 -5.281 1.00 0.00 C ATOM 0 H VAL A 37 37.795 -21.712 -5.129 1.00 0.00 H new ATOM 0 HA VAL A 37 36.480 -20.974 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 37 37.101 -18.706 -3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 37 39.587 -19.086 -3.391 1.00 0.00 H new ATOM 0 HG12 VAL A 37 38.765 -20.255 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 37 39.271 -20.740 -3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 37 38.446 -17.987 -5.196 1.00 0.00 H new ATOM 0 HG22 VAL A 37 38.044 -19.515 -6.014 1.00 0.00 H new ATOM 0 HG23 VAL A 37 36.754 -18.361 -5.602 1.00 0.00 H new ATOM 364 N ILE A 38 34.757 -20.232 -5.568 1.00 0.00 N ATOM 365 CA ILE A 38 33.406 -19.985 -6.070 1.00 0.00 C ATOM 366 C ILE A 38 32.353 -20.733 -5.234 1.00 0.00 C ATOM 367 O ILE A 38 31.428 -20.103 -4.727 1.00 0.00 O ATOM 368 CB ILE A 38 33.335 -20.257 -7.598 1.00 0.00 C ATOM 369 CG1 ILE A 38 33.359 -18.943 -8.398 1.00 0.00 C ATOM 370 CG2 ILE A 38 32.065 -21.001 -8.027 1.00 0.00 C ATOM 371 CD1 ILE A 38 34.730 -18.280 -8.432 1.00 0.00 C ATOM 0 H ILE A 38 35.410 -20.506 -6.302 1.00 0.00 H new ATOM 0 HA ILE A 38 33.160 -18.930 -5.947 1.00 0.00 H new ATOM 0 HB ILE A 38 34.208 -20.876 -7.807 1.00 0.00 H new ATOM 0 HG12 ILE A 38 33.035 -19.142 -9.419 1.00 0.00 H new ATOM 0 HG13 ILE A 38 32.639 -18.249 -7.964 1.00 0.00 H new ATOM 0 HG21 ILE A 38 32.082 -21.157 -9.106 1.00 0.00 H new ATOM 0 HG22 ILE A 38 32.020 -21.965 -7.521 1.00 0.00 H new ATOM 0 HG23 ILE A 38 31.189 -20.410 -7.760 1.00 0.00 H new ATOM 0 HD11 ILE A 38 34.675 -17.359 -9.012 1.00 0.00 H new ATOM 0 HD12 ILE A 38 35.048 -18.050 -7.415 1.00 0.00 H new ATOM 0 HD13 ILE A 38 35.450 -18.956 -8.893 1.00 0.00 H new ATOM 383 N HIS A 39 32.503 -22.049 -5.025 1.00 0.00 N ATOM 384 CA HIS A 39 31.576 -22.837 -4.202 1.00 0.00 C ATOM 385 C HIS A 39 31.612 -22.451 -2.720 1.00 0.00 C ATOM 386 O HIS A 39 30.655 -22.763 -2.006 1.00 0.00 O ATOM 387 CB HIS A 39 31.798 -24.346 -4.390 1.00 0.00 C ATOM 388 CG HIS A 39 31.184 -24.878 -5.664 1.00 0.00 C ATOM 389 ND1 HIS A 39 30.018 -25.615 -5.740 1.00 0.00 N ATOM 390 CD2 HIS A 39 31.658 -24.701 -6.935 1.00 0.00 C ATOM 391 CE1 HIS A 39 29.781 -25.875 -7.041 1.00 0.00 C ATOM 392 NE2 HIS A 39 30.761 -25.324 -7.784 1.00 0.00 N ATOM 0 H HIS A 39 33.268 -22.595 -5.421 1.00 0.00 H new ATOM 0 HA HIS A 39 30.575 -22.595 -4.559 1.00 0.00 H new ATOM 0 HB2 HIS A 39 32.868 -24.553 -4.395 1.00 0.00 H new ATOM 0 HB3 HIS A 39 31.374 -24.879 -3.539 1.00 0.00 H new ATOM 0 HD2 HIS A 39 32.558 -24.177 -7.220 1.00 0.00 H new ATOM 0 HE1 HIS A 39 28.941 -26.435 -7.426 1.00 0.00 H new ATOM 0 HE2 HIS A 39 30.830 -25.360 -8.801 1.00 0.00 H new ATOM 401 N LYS A 40 32.663 -21.769 -2.245 1.00 0.00 N ATOM 402 CA LYS A 40 32.754 -21.327 -0.850 1.00 0.00 C ATOM 403 C LYS A 40 32.123 -19.949 -0.661 1.00 0.00 C ATOM 404 O LYS A 40 31.226 -19.811 0.165 1.00 0.00 O ATOM 405 CB LYS A 40 34.201 -21.345 -0.342 1.00 0.00 C ATOM 406 CG LYS A 40 34.737 -22.757 -0.068 1.00 0.00 C ATOM 407 CD LYS A 40 35.107 -23.544 -1.325 1.00 0.00 C ATOM 408 CE LYS A 40 35.904 -24.798 -0.965 1.00 0.00 C ATOM 409 NZ LYS A 40 35.292 -26.027 -1.499 1.00 0.00 N ATOM 0 H LYS A 40 33.469 -21.510 -2.814 1.00 0.00 H new ATOM 0 HA LYS A 40 32.188 -22.039 -0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 40 34.842 -20.858 -1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 40 34.263 -20.757 0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 40 35.617 -22.681 0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 40 33.985 -23.317 0.489 1.00 0.00 H new ATOM 0 HD2 LYS A 40 34.202 -23.825 -1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 40 35.693 -22.914 -1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 40 36.919 -24.703 -1.352 1.00 0.00 H new ATOM 0 HE3 LYS A 40 35.982 -24.876 0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 35.318 -26.771 -0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.305 -25.836 -1.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 35.821 -26.342 -2.337 1.00 0.00 H new ATOM 423 N ILE A 41 32.518 -18.952 -1.463 1.00 0.00 N ATOM 424 CA ILE A 41 31.923 -17.612 -1.396 1.00 0.00 C ATOM 425 C ILE A 41 30.421 -17.644 -1.654 1.00 0.00 C ATOM 426 O ILE A 41 29.652 -16.987 -0.953 1.00 0.00 O ATOM 427 CB ILE A 41 32.616 -16.614 -2.342 1.00 0.00 C ATOM 428 CG1 ILE A 41 32.146 -15.185 -2.017 1.00 0.00 C ATOM 429 CG2 ILE A 41 32.457 -16.919 -3.842 1.00 0.00 C ATOM 430 CD1 ILE A 41 31.073 -14.558 -2.919 1.00 0.00 C ATOM 0 H ILE A 41 33.249 -19.049 -2.168 1.00 0.00 H new ATOM 0 HA ILE A 41 32.083 -17.261 -0.377 1.00 0.00 H new ATOM 0 HB ILE A 41 33.685 -16.716 -2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 41 31.767 -15.182 -0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 41 33.020 -14.534 -2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 41 32.980 -16.161 -4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 41 32.880 -17.900 -4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 41 31.399 -16.913 -4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 41 30.844 -13.552 -2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 41 31.442 -14.509 -3.943 1.00 0.00 H new ATOM 0 HD13 ILE A 41 30.170 -15.167 -2.888 1.00 0.00 H new ATOM 442 N PHE A 42 30.001 -18.438 -2.639 1.00 0.00 N ATOM 443 CA PHE A 42 28.605 -18.522 -3.004 1.00 0.00 C ATOM 444 C PHE A 42 27.818 -19.524 -2.132 1.00 0.00 C ATOM 445 O PHE A 42 26.596 -19.582 -2.252 1.00 0.00 O ATOM 446 CB PHE A 42 28.493 -18.737 -4.519 1.00 0.00 C ATOM 447 CG PHE A 42 28.921 -17.546 -5.376 1.00 0.00 C ATOM 448 CD1 PHE A 42 28.268 -16.310 -5.237 1.00 0.00 C ATOM 449 CD2 PHE A 42 29.919 -17.670 -6.362 1.00 0.00 C ATOM 450 CE1 PHE A 42 28.607 -15.211 -6.034 1.00 0.00 C ATOM 451 CE2 PHE A 42 30.270 -16.568 -7.166 1.00 0.00 C ATOM 452 CZ PHE A 42 29.613 -15.338 -6.999 1.00 0.00 C ATOM 0 H PHE A 42 30.618 -19.031 -3.195 1.00 0.00 H new ATOM 0 HA PHE A 42 28.109 -17.576 -2.784 1.00 0.00 H new ATOM 0 HB2 PHE A 42 29.100 -19.599 -4.794 1.00 0.00 H new ATOM 0 HB3 PHE A 42 27.459 -18.985 -4.760 1.00 0.00 H new ATOM 0 HD1 PHE A 42 27.487 -16.206 -4.499 1.00 0.00 H new ATOM 0 HD2 PHE A 42 30.419 -18.617 -6.503 1.00 0.00 H new ATOM 0 HE1 PHE A 42 28.095 -14.269 -5.905 1.00 0.00 H new ATOM 0 HE2 PHE A 42 31.045 -16.669 -7.911 1.00 0.00 H new ATOM 0 HZ PHE A 42 29.883 -14.492 -7.614 1.00 0.00 H new ATOM 462 N SER A 43 28.466 -20.246 -1.199 1.00 0.00 N ATOM 463 CA SER A 43 27.783 -21.180 -0.283 1.00 0.00 C ATOM 464 C SER A 43 26.857 -20.495 0.724 1.00 0.00 C ATOM 465 O SER A 43 25.859 -21.086 1.127 1.00 0.00 O ATOM 466 CB SER A 43 28.757 -22.049 0.533 1.00 0.00 C ATOM 467 OG SER A 43 28.979 -23.284 -0.109 1.00 0.00 O ATOM 0 H SER A 43 29.475 -20.199 -1.059 1.00 0.00 H new ATOM 0 HA SER A 43 27.196 -21.798 -0.963 1.00 0.00 H new ATOM 0 HB2 SER A 43 29.704 -21.523 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 43 28.352 -22.219 1.531 1.00 0.00 H new ATOM 0 HG SER A 43 29.364 -23.127 -0.996 1.00 0.00 H new ATOM 473 N LYS A 44 27.145 -19.257 1.160 1.00 0.00 N ATOM 474 CA LYS A 44 26.261 -18.558 2.119 1.00 0.00 C ATOM 475 C LYS A 44 24.881 -18.239 1.533 1.00 0.00 C ATOM 476 O LYS A 44 23.924 -18.087 2.287 1.00 0.00 O ATOM 477 CB LYS A 44 26.907 -17.285 2.706 1.00 0.00 C ATOM 478 CG LYS A 44 27.471 -16.334 1.640 1.00 0.00 C ATOM 479 CD LYS A 44 27.782 -14.938 2.193 1.00 0.00 C ATOM 480 CE LYS A 44 28.822 -14.274 1.290 1.00 0.00 C ATOM 481 NZ LYS A 44 28.776 -12.800 1.347 1.00 0.00 N ATOM 0 H LYS A 44 27.966 -18.725 0.873 1.00 0.00 H new ATOM 0 HA LYS A 44 26.115 -19.263 2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.165 -16.752 3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.710 -17.575 3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 44 28.380 -16.764 1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 44 26.754 -16.245 0.824 1.00 0.00 H new ATOM 0 HD2 LYS A 44 26.874 -14.336 2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.159 -15.011 3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.817 -14.613 1.580 1.00 0.00 H new ATOM 0 HE3 LYS A 44 28.662 -14.598 0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 29.502 -12.405 0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 27.837 -12.470 1.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 28.956 -12.484 2.322 1.00 0.00 H new ATOM 495 N PHE A 45 24.768 -18.164 0.203 1.00 0.00 N ATOM 496 CA PHE A 45 23.510 -17.860 -0.485 1.00 0.00 C ATOM 497 C PHE A 45 22.722 -19.121 -0.871 1.00 0.00 C ATOM 498 O PHE A 45 21.544 -19.015 -1.210 1.00 0.00 O ATOM 499 CB PHE A 45 23.790 -17.024 -1.742 1.00 0.00 C ATOM 500 CG PHE A 45 24.859 -15.960 -1.577 1.00 0.00 C ATOM 501 CD1 PHE A 45 24.704 -14.918 -0.647 1.00 0.00 C ATOM 502 CD2 PHE A 45 26.037 -16.048 -2.332 1.00 0.00 C ATOM 503 CE1 PHE A 45 25.709 -13.946 -0.504 1.00 0.00 C ATOM 504 CE2 PHE A 45 27.047 -15.079 -2.185 1.00 0.00 C ATOM 505 CZ PHE A 45 26.872 -14.017 -1.288 1.00 0.00 C ATOM 0 H PHE A 45 25.553 -18.314 -0.431 1.00 0.00 H new ATOM 0 HA PHE A 45 22.894 -17.296 0.216 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.087 -17.695 -2.548 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.863 -16.542 -2.054 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.811 -14.864 -0.041 1.00 0.00 H new ATOM 0 HD2 PHE A 45 26.170 -16.862 -3.029 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.587 -13.144 0.209 1.00 0.00 H new ATOM 0 HE2 PHE A 45 27.956 -15.154 -2.763 1.00 0.00 H new ATOM 0 HZ PHE A 45 27.631 -13.254 -1.200 1.00 0.00 H new ATOM 515 N GLY A 46 23.352 -20.302 -0.840 1.00 0.00 N ATOM 516 CA GLY A 46 22.762 -21.555 -1.301 1.00 0.00 C ATOM 517 C GLY A 46 23.820 -22.519 -1.846 1.00 0.00 C ATOM 518 O GLY A 46 24.942 -22.561 -1.349 1.00 0.00 O ATOM 0 H GLY A 46 24.303 -20.410 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 46 22.229 -22.030 -0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 46 22.027 -21.346 -2.078 1.00 0.00 H new ATOM 522 N LYS A 47 23.471 -23.316 -2.863 1.00 0.00 N ATOM 523 CA LYS A 47 24.381 -24.272 -3.518 1.00 0.00 C ATOM 524 C LYS A 47 24.348 -24.096 -5.042 1.00 0.00 C ATOM 525 O LYS A 47 23.274 -24.102 -5.644 1.00 0.00 O ATOM 526 CB LYS A 47 23.998 -25.706 -3.106 1.00 0.00 C ATOM 527 CG LYS A 47 25.153 -26.709 -3.289 1.00 0.00 C ATOM 528 CD LYS A 47 25.949 -26.911 -1.990 1.00 0.00 C ATOM 529 CE LYS A 47 27.259 -27.658 -2.259 1.00 0.00 C ATOM 530 NZ LYS A 47 27.977 -27.969 -1.005 1.00 0.00 N ATOM 0 H LYS A 47 22.533 -23.317 -3.263 1.00 0.00 H new ATOM 0 HA LYS A 47 25.404 -24.079 -3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.684 -25.707 -2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 47 23.142 -26.033 -3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 47 24.753 -27.667 -3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 47 25.822 -26.353 -4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 47 26.165 -25.943 -1.537 1.00 0.00 H new ATOM 0 HD3 LYS A 47 25.347 -27.471 -1.274 1.00 0.00 H new ATOM 0 HE2 LYS A 47 27.047 -28.582 -2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 47 27.897 -27.054 -2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 28.859 -28.475 -1.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 28.201 -27.085 -0.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 27.377 -28.567 -0.401 1.00 0.00 H new ATOM 544 N ILE A 48 25.518 -23.913 -5.661 1.00 0.00 N ATOM 545 CA ILE A 48 25.659 -23.791 -7.119 1.00 0.00 C ATOM 546 C ILE A 48 25.436 -25.148 -7.786 1.00 0.00 C ATOM 547 O ILE A 48 25.957 -26.160 -7.321 1.00 0.00 O ATOM 548 CB ILE A 48 27.051 -23.245 -7.496 1.00 0.00 C ATOM 549 CG1 ILE A 48 27.305 -21.891 -6.804 1.00 0.00 C ATOM 550 CG2 ILE A 48 27.195 -23.059 -9.015 1.00 0.00 C ATOM 551 CD1 ILE A 48 28.110 -22.039 -5.513 1.00 0.00 C ATOM 0 H ILE A 48 26.404 -23.844 -5.161 1.00 0.00 H new ATOM 0 HA ILE A 48 24.905 -23.088 -7.474 1.00 0.00 H new ATOM 0 HB ILE A 48 27.784 -23.979 -7.161 1.00 0.00 H new ATOM 0 HG12 ILE A 48 27.838 -21.231 -7.488 1.00 0.00 H new ATOM 0 HG13 ILE A 48 26.350 -21.415 -6.581 1.00 0.00 H new ATOM 0 HG21 ILE A 48 28.189 -22.673 -9.242 1.00 0.00 H new ATOM 0 HG22 ILE A 48 27.056 -24.018 -9.514 1.00 0.00 H new ATOM 0 HG23 ILE A 48 26.443 -22.354 -9.368 1.00 0.00 H new ATOM 0 HD11 ILE A 48 28.262 -21.057 -5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 48 27.566 -22.676 -4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 48 29.077 -22.489 -5.737 1.00 0.00 H new ATOM 563 N THR A 49 24.715 -25.143 -8.911 1.00 0.00 N ATOM 564 CA THR A 49 24.396 -26.336 -9.709 1.00 0.00 C ATOM 565 C THR A 49 25.070 -26.350 -11.085 1.00 0.00 C ATOM 566 O THR A 49 25.210 -27.428 -11.658 1.00 0.00 O ATOM 567 CB THR A 49 22.872 -26.471 -9.874 1.00 0.00 C ATOM 568 OG1 THR A 49 22.527 -27.551 -10.713 1.00 0.00 O ATOM 569 CG2 THR A 49 22.242 -25.206 -10.460 1.00 0.00 C ATOM 0 H THR A 49 24.325 -24.287 -9.305 1.00 0.00 H new ATOM 0 HA THR A 49 24.794 -27.188 -9.158 1.00 0.00 H new ATOM 0 HB THR A 49 22.487 -26.643 -8.869 1.00 0.00 H new ATOM 0 HG1 THR A 49 21.552 -27.605 -10.792 1.00 0.00 H new ATOM 0 HG21 THR A 49 21.166 -25.348 -10.558 1.00 0.00 H new ATOM 0 HG22 THR A 49 22.438 -24.362 -9.799 1.00 0.00 H new ATOM 0 HG23 THR A 49 22.673 -25.006 -11.441 1.00 0.00 H new ATOM 577 N ASN A 50 25.460 -25.198 -11.638 1.00 0.00 N ATOM 578 CA ASN A 50 26.047 -25.092 -12.969 1.00 0.00 C ATOM 579 C ASN A 50 27.267 -24.166 -12.926 1.00 0.00 C ATOM 580 O ASN A 50 27.182 -23.072 -12.364 1.00 0.00 O ATOM 581 CB ASN A 50 25.002 -24.506 -13.918 1.00 0.00 C ATOM 582 CG ASN A 50 24.051 -25.511 -14.529 1.00 0.00 C ATOM 583 OD1 ASN A 50 22.810 -25.516 -14.093 1.00 0.00 O flip ATOM 584 ND2 ASN A 50 24.395 -26.244 -15.439 1.00 0.00 N flip ATOM 0 H ASN A 50 25.374 -24.300 -11.162 1.00 0.00 H new ATOM 0 HA ASN A 50 26.359 -26.078 -13.313 1.00 0.00 H new ATOM 0 HB2 ASN A 50 24.419 -23.761 -13.376 1.00 0.00 H new ATOM 0 HB3 ASN A 50 25.518 -23.983 -14.723 1.00 0.00 H new ATOM 0 HD21 ASN A 50 25.360 -26.230 -15.768 1.00 0.00 H new ATOM 0 HD22 ASN A 50 23.718 -26.871 -15.872 1.00 0.00 H new ATOM 591 N ASP A 51 28.373 -24.576 -13.549 1.00 0.00 N ATOM 592 CA ASP A 51 29.643 -23.847 -13.539 1.00 0.00 C ATOM 593 C ASP A 51 30.426 -24.046 -14.844 1.00 0.00 C ATOM 594 O ASP A 51 30.714 -25.178 -15.232 1.00 0.00 O ATOM 595 CB ASP A 51 30.483 -24.254 -12.310 1.00 0.00 C ATOM 596 CG ASP A 51 30.335 -25.718 -11.878 1.00 0.00 C ATOM 597 OD1 ASP A 51 31.029 -26.574 -12.465 1.00 0.00 O ATOM 598 OD2 ASP A 51 29.570 -25.959 -10.914 1.00 0.00 O ATOM 0 H ASP A 51 28.412 -25.442 -14.086 1.00 0.00 H new ATOM 0 HA ASP A 51 29.419 -22.783 -13.466 1.00 0.00 H new ATOM 0 HB2 ASP A 51 31.533 -24.059 -12.526 1.00 0.00 H new ATOM 0 HB3 ASP A 51 30.206 -23.614 -11.472 1.00 0.00 H new ATOM 603 N PHE A 52 30.786 -22.948 -15.517 1.00 0.00 N ATOM 604 CA PHE A 52 31.479 -22.962 -16.805 1.00 0.00 C ATOM 605 C PHE A 52 32.620 -21.945 -16.837 1.00 0.00 C ATOM 606 O PHE A 52 32.451 -20.766 -16.510 1.00 0.00 O ATOM 607 CB PHE A 52 30.510 -22.679 -17.955 1.00 0.00 C ATOM 608 CG PHE A 52 29.257 -23.529 -17.958 1.00 0.00 C ATOM 609 CD1 PHE A 52 29.245 -24.776 -18.611 1.00 0.00 C ATOM 610 CD2 PHE A 52 28.103 -23.071 -17.300 1.00 0.00 C ATOM 611 CE1 PHE A 52 28.072 -25.550 -18.617 1.00 0.00 C ATOM 612 CE2 PHE A 52 26.927 -23.837 -17.325 1.00 0.00 C ATOM 613 CZ PHE A 52 26.912 -25.080 -17.977 1.00 0.00 C ATOM 0 H PHE A 52 30.599 -22.006 -15.172 1.00 0.00 H new ATOM 0 HA PHE A 52 31.898 -23.960 -16.931 1.00 0.00 H new ATOM 0 HB2 PHE A 52 30.219 -21.629 -17.915 1.00 0.00 H new ATOM 0 HB3 PHE A 52 31.035 -22.829 -18.898 1.00 0.00 H new ATOM 0 HD1 PHE A 52 30.135 -25.137 -19.106 1.00 0.00 H new ATOM 0 HD2 PHE A 52 28.121 -22.128 -16.774 1.00 0.00 H new ATOM 0 HE1 PHE A 52 28.062 -26.508 -19.115 1.00 0.00 H new ATOM 0 HE2 PHE A 52 26.033 -23.470 -16.842 1.00 0.00 H new ATOM 0 HZ PHE A 52 26.010 -25.675 -17.987 1.00 0.00 H new ATOM 623 N TYR A 53 33.786 -22.426 -17.277 1.00 0.00 N ATOM 624 CA TYR A 53 35.046 -21.691 -17.326 1.00 0.00 C ATOM 625 C TYR A 53 35.568 -21.679 -18.771 1.00 0.00 C ATOM 626 O TYR A 53 36.347 -22.560 -19.135 1.00 0.00 O ATOM 627 CB TYR A 53 36.044 -22.316 -16.341 1.00 0.00 C ATOM 628 CG TYR A 53 35.814 -21.884 -14.909 1.00 0.00 C ATOM 629 CD1 TYR A 53 34.644 -22.272 -14.215 1.00 0.00 C ATOM 630 CD2 TYR A 53 36.747 -21.040 -14.288 1.00 0.00 C ATOM 631 CE1 TYR A 53 34.383 -21.758 -12.941 1.00 0.00 C ATOM 632 CE2 TYR A 53 36.505 -20.544 -12.996 1.00 0.00 C ATOM 633 CZ TYR A 53 35.311 -20.890 -12.328 1.00 0.00 C ATOM 634 OH TYR A 53 35.013 -20.397 -11.095 1.00 0.00 O ATOM 0 H TYR A 53 33.878 -23.381 -17.623 1.00 0.00 H new ATOM 0 HA TYR A 53 34.901 -20.655 -17.021 1.00 0.00 H new ATOM 0 HB2 TYR A 53 35.974 -23.402 -16.402 1.00 0.00 H new ATOM 0 HB3 TYR A 53 37.057 -22.044 -16.638 1.00 0.00 H new ATOM 0 HD1 TYR A 53 33.952 -22.966 -14.669 1.00 0.00 H new ATOM 0 HD2 TYR A 53 37.656 -20.770 -14.806 1.00 0.00 H new ATOM 0 HE1 TYR A 53 33.472 -22.025 -12.427 1.00 0.00 H new ATOM 0 HE2 TYR A 53 37.229 -19.901 -12.517 1.00 0.00 H new ATOM 0 HH TYR A 53 34.278 -20.915 -10.704 1.00 0.00 H new ATOM 644 N PRO A 54 35.130 -20.721 -19.611 1.00 0.00 N ATOM 645 CA PRO A 54 35.587 -20.619 -20.998 1.00 0.00 C ATOM 646 C PRO A 54 37.046 -20.154 -21.061 1.00 0.00 C ATOM 647 O PRO A 54 37.596 -19.703 -20.062 1.00 0.00 O ATOM 648 CB PRO A 54 34.633 -19.613 -21.649 1.00 0.00 C ATOM 649 CG PRO A 54 34.226 -18.702 -20.492 1.00 0.00 C ATOM 650 CD PRO A 54 34.203 -19.643 -19.293 1.00 0.00 C ATOM 0 HA PRO A 54 35.569 -21.578 -21.516 1.00 0.00 H new ATOM 0 HB2 PRO A 54 35.123 -19.054 -22.446 1.00 0.00 H new ATOM 0 HB3 PRO A 54 33.769 -20.109 -22.092 1.00 0.00 H new ATOM 0 HG2 PRO A 54 34.938 -17.889 -20.351 1.00 0.00 H new ATOM 0 HG3 PRO A 54 33.251 -18.246 -20.664 1.00 0.00 H new ATOM 0 HD2 PRO A 54 34.506 -19.124 -18.384 1.00 0.00 H new ATOM 0 HD3 PRO A 54 33.199 -20.030 -19.120 1.00 0.00 H new ATOM 658 N GLU A 55 37.668 -20.214 -22.240 1.00 0.00 N ATOM 659 CA GLU A 55 39.033 -19.726 -22.479 1.00 0.00 C ATOM 660 C GLU A 55 39.185 -19.135 -23.884 1.00 0.00 C ATOM 661 O GLU A 55 38.286 -19.245 -24.717 1.00 0.00 O ATOM 662 CB GLU A 55 40.050 -20.865 -22.267 1.00 0.00 C ATOM 663 CG GLU A 55 40.455 -21.026 -20.794 1.00 0.00 C ATOM 664 CD GLU A 55 41.695 -21.906 -20.600 1.00 0.00 C ATOM 665 OE1 GLU A 55 41.987 -22.733 -21.489 1.00 0.00 O ATOM 666 OE2 GLU A 55 42.333 -21.733 -19.531 1.00 0.00 O ATOM 0 H GLU A 55 37.231 -20.610 -23.073 1.00 0.00 H new ATOM 0 HA GLU A 55 39.231 -18.929 -21.762 1.00 0.00 H new ATOM 0 HB2 GLU A 55 39.623 -21.801 -22.627 1.00 0.00 H new ATOM 0 HB3 GLU A 55 40.940 -20.669 -22.866 1.00 0.00 H new ATOM 0 HG2 GLU A 55 40.646 -20.041 -20.367 1.00 0.00 H new ATOM 0 HG3 GLU A 55 39.621 -21.457 -20.240 1.00 0.00 H new ATOM 673 N GLU A 56 40.344 -18.527 -24.153 1.00 0.00 N ATOM 674 CA GLU A 56 40.686 -17.951 -25.451 1.00 0.00 C ATOM 675 C GLU A 56 41.815 -18.741 -26.109 1.00 0.00 C ATOM 676 O GLU A 56 42.934 -18.747 -25.618 1.00 0.00 O ATOM 677 CB GLU A 56 40.983 -16.455 -25.305 1.00 0.00 C ATOM 678 CG GLU A 56 42.163 -16.108 -24.378 1.00 0.00 C ATOM 679 CD GLU A 56 42.247 -14.610 -24.054 1.00 0.00 C ATOM 680 OE1 GLU A 56 41.185 -14.000 -23.804 1.00 0.00 O ATOM 681 OE2 GLU A 56 43.381 -14.078 -24.080 1.00 0.00 O ATOM 0 H GLU A 56 41.084 -18.421 -23.459 1.00 0.00 H new ATOM 0 HA GLU A 56 39.833 -18.030 -26.125 1.00 0.00 H new ATOM 0 HB2 GLU A 56 41.185 -16.043 -26.294 1.00 0.00 H new ATOM 0 HB3 GLU A 56 40.088 -15.958 -24.929 1.00 0.00 H new ATOM 0 HG2 GLU A 56 42.067 -16.671 -23.449 1.00 0.00 H new ATOM 0 HG3 GLU A 56 43.094 -16.426 -24.848 1.00 0.00 H new ATOM 688 N ASP A 57 41.521 -19.476 -27.183 1.00 0.00 N ATOM 689 CA ASP A 57 42.496 -20.306 -27.911 1.00 0.00 C ATOM 690 C ASP A 57 43.262 -21.326 -27.031 1.00 0.00 C ATOM 691 O ASP A 57 44.348 -21.766 -27.394 1.00 0.00 O ATOM 692 CB ASP A 57 43.442 -19.381 -28.701 1.00 0.00 C ATOM 693 CG ASP A 57 44.166 -20.096 -29.848 1.00 0.00 C ATOM 694 OD1 ASP A 57 43.461 -20.738 -30.655 1.00 0.00 O ATOM 695 OD2 ASP A 57 45.410 -19.949 -29.928 1.00 0.00 O ATOM 0 H ASP A 57 40.583 -19.515 -27.582 1.00 0.00 H new ATOM 0 HA ASP A 57 41.937 -20.940 -28.600 1.00 0.00 H new ATOM 0 HB2 ASP A 57 42.870 -18.546 -29.105 1.00 0.00 H new ATOM 0 HB3 ASP A 57 44.181 -18.960 -28.019 1.00 0.00 H new ATOM 700 N GLY A 58 42.726 -21.690 -25.858 1.00 0.00 N ATOM 701 CA GLY A 58 43.411 -22.548 -24.880 1.00 0.00 C ATOM 702 C GLY A 58 44.336 -21.782 -23.923 1.00 0.00 C ATOM 703 O GLY A 58 45.175 -22.389 -23.259 1.00 0.00 O ATOM 0 H GLY A 58 41.797 -21.395 -25.558 1.00 0.00 H new ATOM 0 HA2 GLY A 58 42.664 -23.085 -24.296 1.00 0.00 H new ATOM 0 HA3 GLY A 58 43.996 -23.296 -25.414 1.00 0.00 H new ATOM 707 N LYS A 59 44.223 -20.450 -23.880 1.00 0.00 N ATOM 708 CA LYS A 59 45.012 -19.524 -23.066 1.00 0.00 C ATOM 709 C LYS A 59 44.158 -18.954 -21.929 1.00 0.00 C ATOM 710 O LYS A 59 42.978 -19.273 -21.774 1.00 0.00 O ATOM 711 CB LYS A 59 45.575 -18.393 -23.956 1.00 0.00 C ATOM 712 CG LYS A 59 46.350 -18.848 -25.207 1.00 0.00 C ATOM 713 CD LYS A 59 47.688 -19.522 -24.863 1.00 0.00 C ATOM 714 CE LYS A 59 48.871 -18.884 -25.605 1.00 0.00 C ATOM 715 NZ LYS A 59 49.031 -19.412 -26.975 1.00 0.00 N ATOM 0 H LYS A 59 43.533 -19.960 -24.450 1.00 0.00 H new ATOM 0 HA LYS A 59 45.849 -20.062 -22.621 1.00 0.00 H new ATOM 0 HB2 LYS A 59 44.746 -17.761 -24.275 1.00 0.00 H new ATOM 0 HB3 LYS A 59 46.234 -17.773 -23.349 1.00 0.00 H new ATOM 0 HG2 LYS A 59 45.734 -19.543 -25.778 1.00 0.00 H new ATOM 0 HG3 LYS A 59 46.536 -17.986 -25.848 1.00 0.00 H new ATOM 0 HD2 LYS A 59 47.859 -19.457 -23.788 1.00 0.00 H new ATOM 0 HD3 LYS A 59 47.634 -20.581 -25.114 1.00 0.00 H new ATOM 0 HE2 LYS A 59 48.728 -17.804 -25.650 1.00 0.00 H new ATOM 0 HE3 LYS A 59 49.787 -19.061 -25.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 49.842 -18.950 -27.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 49.195 -20.438 -26.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 48.169 -19.220 -27.524 1.00 0.00 H new ATOM 729 N THR A 60 44.763 -18.092 -21.112 1.00 0.00 N ATOM 730 CA THR A 60 44.160 -17.493 -19.918 1.00 0.00 C ATOM 731 C THR A 60 42.885 -16.694 -20.222 1.00 0.00 C ATOM 732 O THR A 60 42.952 -15.651 -20.872 1.00 0.00 O ATOM 733 CB THR A 60 45.156 -16.550 -19.233 1.00 0.00 C ATOM 734 OG1 THR A 60 45.511 -15.524 -20.129 1.00 0.00 O ATOM 735 CG2 THR A 60 46.463 -17.225 -18.793 1.00 0.00 C ATOM 0 H THR A 60 45.721 -17.779 -21.268 1.00 0.00 H new ATOM 0 HA THR A 60 43.895 -18.327 -19.268 1.00 0.00 H new ATOM 0 HB THR A 60 44.648 -16.185 -18.341 1.00 0.00 H new ATOM 0 HG1 THR A 60 44.716 -15.231 -20.622 1.00 0.00 H new ATOM 0 HG21 THR A 60 47.111 -16.488 -18.318 1.00 0.00 H new ATOM 0 HG22 THR A 60 46.240 -18.023 -18.085 1.00 0.00 H new ATOM 0 HG23 THR A 60 46.967 -17.644 -19.664 1.00 0.00 H new ATOM 743 N LYS A 61 41.739 -17.148 -19.697 1.00 0.00 N ATOM 744 CA LYS A 61 40.443 -16.451 -19.726 1.00 0.00 C ATOM 745 C LYS A 61 40.415 -15.132 -18.954 1.00 0.00 C ATOM 746 O LYS A 61 41.363 -14.808 -18.246 1.00 0.00 O ATOM 747 CB LYS A 61 39.369 -17.405 -19.187 1.00 0.00 C ATOM 748 CG LYS A 61 39.407 -17.664 -17.663 1.00 0.00 C ATOM 749 CD LYS A 61 39.089 -19.131 -17.325 1.00 0.00 C ATOM 750 CE LYS A 61 39.676 -19.522 -15.967 1.00 0.00 C ATOM 751 NZ LYS A 61 39.960 -20.975 -15.897 1.00 0.00 N ATOM 0 H LYS A 61 41.686 -18.048 -19.220 1.00 0.00 H new ATOM 0 HA LYS A 61 40.251 -16.176 -20.763 1.00 0.00 H new ATOM 0 HB2 LYS A 61 38.389 -17.003 -19.444 1.00 0.00 H new ATOM 0 HB3 LYS A 61 39.466 -18.361 -19.702 1.00 0.00 H new ATOM 0 HG2 LYS A 61 40.393 -17.407 -17.275 1.00 0.00 H new ATOM 0 HG3 LYS A 61 38.689 -17.012 -17.165 1.00 0.00 H new ATOM 0 HD2 LYS A 61 38.009 -19.279 -17.314 1.00 0.00 H new ATOM 0 HD3 LYS A 61 39.493 -19.782 -18.100 1.00 0.00 H new ATOM 0 HE2 LYS A 61 40.594 -18.962 -15.791 1.00 0.00 H new ATOM 0 HE3 LYS A 61 38.979 -19.248 -15.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 40.357 -21.207 -14.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 39.079 -21.508 -16.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 40.644 -21.231 -16.637 1.00 0.00 H new ATOM 765 N GLY A 62 39.279 -14.435 -19.060 1.00 0.00 N ATOM 766 CA GLY A 62 38.953 -13.208 -18.330 1.00 0.00 C ATOM 767 C GLY A 62 37.530 -13.143 -17.758 1.00 0.00 C ATOM 768 O GLY A 62 37.208 -12.167 -17.079 1.00 0.00 O ATOM 0 H GLY A 62 38.528 -14.725 -19.686 1.00 0.00 H new ATOM 0 HA2 GLY A 62 39.662 -13.094 -17.510 1.00 0.00 H new ATOM 0 HA3 GLY A 62 39.098 -12.358 -18.997 1.00 0.00 H new ATOM 772 N TYR A 63 36.683 -14.148 -18.004 1.00 0.00 N ATOM 773 CA TYR A 63 35.268 -14.197 -17.616 1.00 0.00 C ATOM 774 C TYR A 63 34.876 -15.641 -17.263 1.00 0.00 C ATOM 775 O TYR A 63 35.494 -16.582 -17.763 1.00 0.00 O ATOM 776 CB TYR A 63 34.429 -13.567 -18.754 1.00 0.00 C ATOM 777 CG TYR A 63 33.305 -14.388 -19.367 1.00 0.00 C ATOM 778 CD1 TYR A 63 32.067 -14.485 -18.706 1.00 0.00 C ATOM 779 CD2 TYR A 63 33.470 -15.004 -20.623 1.00 0.00 C ATOM 780 CE1 TYR A 63 31.006 -15.213 -19.279 1.00 0.00 C ATOM 781 CE2 TYR A 63 32.407 -15.718 -21.213 1.00 0.00 C ATOM 782 CZ TYR A 63 31.172 -15.832 -20.537 1.00 0.00 C ATOM 783 OH TYR A 63 30.147 -16.543 -21.087 1.00 0.00 O ATOM 0 H TYR A 63 36.978 -14.988 -18.502 1.00 0.00 H new ATOM 0 HA TYR A 63 35.073 -13.614 -16.716 1.00 0.00 H new ATOM 0 HB2 TYR A 63 33.995 -12.643 -18.373 1.00 0.00 H new ATOM 0 HB3 TYR A 63 35.113 -13.291 -19.556 1.00 0.00 H new ATOM 0 HD1 TYR A 63 31.929 -13.998 -17.752 1.00 0.00 H new ATOM 0 HD2 TYR A 63 34.417 -14.929 -21.137 1.00 0.00 H new ATOM 0 HE1 TYR A 63 30.065 -15.298 -18.756 1.00 0.00 H new ATOM 0 HE2 TYR A 63 32.537 -16.178 -22.182 1.00 0.00 H new ATOM 0 HH TYR A 63 30.427 -16.902 -21.955 1.00 0.00 H new ATOM 793 N ILE A 64 33.848 -15.827 -16.428 1.00 0.00 N ATOM 794 CA ILE A 64 33.246 -17.136 -16.112 1.00 0.00 C ATOM 795 C ILE A 64 31.715 -17.033 -16.128 1.00 0.00 C ATOM 796 O ILE A 64 31.160 -15.935 -16.010 1.00 0.00 O ATOM 797 CB ILE A 64 33.741 -17.706 -14.758 1.00 0.00 C ATOM 798 CG1 ILE A 64 33.285 -16.886 -13.529 1.00 0.00 C ATOM 799 CG2 ILE A 64 35.264 -17.887 -14.709 1.00 0.00 C ATOM 800 CD1 ILE A 64 32.385 -17.713 -12.608 1.00 0.00 C ATOM 0 H ILE A 64 33.397 -15.054 -15.938 1.00 0.00 H new ATOM 0 HA ILE A 64 33.568 -17.835 -16.884 1.00 0.00 H new ATOM 0 HB ILE A 64 33.266 -18.685 -14.699 1.00 0.00 H new ATOM 0 HG12 ILE A 64 34.158 -16.543 -12.974 1.00 0.00 H new ATOM 0 HG13 ILE A 64 32.749 -15.997 -13.861 1.00 0.00 H new ATOM 0 HG21 ILE A 64 35.552 -18.289 -13.737 1.00 0.00 H new ATOM 0 HG22 ILE A 64 35.574 -18.578 -15.493 1.00 0.00 H new ATOM 0 HG23 ILE A 64 35.750 -16.923 -14.861 1.00 0.00 H new ATOM 0 HD11 ILE A 64 32.083 -17.106 -11.754 1.00 0.00 H new ATOM 0 HD12 ILE A 64 31.500 -18.034 -13.157 1.00 0.00 H new ATOM 0 HD13 ILE A 64 32.931 -18.588 -12.256 1.00 0.00 H new ATOM 812 N PHE A 65 31.031 -18.175 -16.199 1.00 0.00 N ATOM 813 CA PHE A 65 29.572 -18.268 -16.224 1.00 0.00 C ATOM 814 C PHE A 65 29.102 -19.292 -15.185 1.00 0.00 C ATOM 815 O PHE A 65 29.552 -20.441 -15.193 1.00 0.00 O ATOM 816 CB PHE A 65 29.113 -18.618 -17.649 1.00 0.00 C ATOM 817 CG PHE A 65 27.634 -18.939 -17.788 1.00 0.00 C ATOM 818 CD1 PHE A 65 26.668 -18.063 -17.262 1.00 0.00 C ATOM 819 CD2 PHE A 65 27.215 -20.112 -18.445 1.00 0.00 C ATOM 820 CE1 PHE A 65 25.303 -18.368 -17.380 1.00 0.00 C ATOM 821 CE2 PHE A 65 25.846 -20.423 -18.546 1.00 0.00 C ATOM 822 CZ PHE A 65 24.885 -19.551 -18.008 1.00 0.00 C ATOM 0 H PHE A 65 31.489 -19.085 -16.242 1.00 0.00 H new ATOM 0 HA PHE A 65 29.121 -17.312 -15.958 1.00 0.00 H new ATOM 0 HB2 PHE A 65 29.351 -17.782 -18.307 1.00 0.00 H new ATOM 0 HB3 PHE A 65 29.689 -19.474 -18.000 1.00 0.00 H new ATOM 0 HD1 PHE A 65 26.977 -17.154 -16.767 1.00 0.00 H new ATOM 0 HD2 PHE A 65 27.949 -20.778 -18.874 1.00 0.00 H new ATOM 0 HE1 PHE A 65 24.567 -17.685 -16.983 1.00 0.00 H new ATOM 0 HE2 PHE A 65 25.534 -21.333 -19.037 1.00 0.00 H new ATOM 0 HZ PHE A 65 23.834 -19.789 -18.077 1.00 0.00 H new ATOM 832 N LEU A 66 28.204 -18.877 -14.285 1.00 0.00 N ATOM 833 CA LEU A 66 27.636 -19.720 -13.231 1.00 0.00 C ATOM 834 C LEU A 66 26.107 -19.632 -13.257 1.00 0.00 C ATOM 835 O LEU A 66 25.553 -18.542 -13.388 1.00 0.00 O ATOM 836 CB LEU A 66 28.179 -19.262 -11.860 1.00 0.00 C ATOM 837 CG LEU A 66 28.930 -20.340 -11.074 1.00 0.00 C ATOM 838 CD1 LEU A 66 30.322 -20.594 -11.653 1.00 0.00 C ATOM 839 CD2 LEU A 66 29.103 -19.888 -9.623 1.00 0.00 C ATOM 0 H LEU A 66 27.844 -17.923 -14.270 1.00 0.00 H new ATOM 0 HA LEU A 66 27.925 -20.757 -13.400 1.00 0.00 H new ATOM 0 HB2 LEU A 66 28.846 -18.414 -12.014 1.00 0.00 H new ATOM 0 HB3 LEU A 66 27.345 -18.906 -11.255 1.00 0.00 H new ATOM 0 HG LEU A 66 28.344 -21.257 -11.136 1.00 0.00 H new ATOM 0 HD11 LEU A 66 30.824 -21.365 -11.069 1.00 0.00 H new ATOM 0 HD12 LEU A 66 30.231 -20.925 -12.688 1.00 0.00 H new ATOM 0 HD13 LEU A 66 30.905 -19.674 -11.616 1.00 0.00 H new ATOM 0 HD21 LEU A 66 29.638 -20.656 -9.064 1.00 0.00 H new ATOM 0 HD22 LEU A 66 29.671 -18.958 -9.597 1.00 0.00 H new ATOM 0 HD23 LEU A 66 28.123 -19.727 -9.173 1.00 0.00 H new ATOM 851 N GLU A 67 25.413 -20.752 -13.056 1.00 0.00 N ATOM 852 CA GLU A 67 23.950 -20.789 -12.989 1.00 0.00 C ATOM 853 C GLU A 67 23.488 -21.452 -11.684 1.00 0.00 C ATOM 854 O GLU A 67 23.988 -22.504 -11.274 1.00 0.00 O ATOM 855 CB GLU A 67 23.380 -21.419 -14.275 1.00 0.00 C ATOM 856 CG GLU A 67 21.988 -22.059 -14.110 1.00 0.00 C ATOM 857 CD GLU A 67 21.429 -22.648 -15.410 1.00 0.00 C ATOM 858 OE1 GLU A 67 22.074 -22.482 -16.470 1.00 0.00 O ATOM 859 OE2 GLU A 67 20.355 -23.281 -15.319 1.00 0.00 O ATOM 0 H GLU A 67 25.851 -21.665 -12.934 1.00 0.00 H new ATOM 0 HA GLU A 67 23.544 -19.778 -12.952 1.00 0.00 H new ATOM 0 HB2 GLU A 67 23.324 -20.651 -15.047 1.00 0.00 H new ATOM 0 HB3 GLU A 67 24.075 -22.179 -14.631 1.00 0.00 H new ATOM 0 HG2 GLU A 67 22.045 -22.847 -13.359 1.00 0.00 H new ATOM 0 HG3 GLU A 67 21.294 -21.308 -13.732 1.00 0.00 H new ATOM 866 N TYR A 68 22.511 -20.820 -11.029 1.00 0.00 N ATOM 867 CA TYR A 68 21.901 -21.347 -9.814 1.00 0.00 C ATOM 868 C TYR A 68 20.616 -22.116 -10.118 1.00 0.00 C ATOM 869 O TYR A 68 19.971 -21.932 -11.148 1.00 0.00 O ATOM 870 CB TYR A 68 21.581 -20.207 -8.844 1.00 0.00 C ATOM 871 CG TYR A 68 22.791 -19.594 -8.186 1.00 0.00 C ATOM 872 CD1 TYR A 68 23.318 -20.152 -7.003 1.00 0.00 C ATOM 873 CD2 TYR A 68 23.365 -18.439 -8.742 1.00 0.00 C ATOM 874 CE1 TYR A 68 24.402 -19.528 -6.361 1.00 0.00 C ATOM 875 CE2 TYR A 68 24.457 -17.829 -8.110 1.00 0.00 C ATOM 876 CZ TYR A 68 24.970 -18.372 -6.921 1.00 0.00 C ATOM 877 OH TYR A 68 26.013 -17.774 -6.310 1.00 0.00 O ATOM 0 H TYR A 68 22.122 -19.926 -11.330 1.00 0.00 H new ATOM 0 HA TYR A 68 22.618 -22.032 -9.361 1.00 0.00 H new ATOM 0 HB2 TYR A 68 21.041 -19.428 -9.383 1.00 0.00 H new ATOM 0 HB3 TYR A 68 20.912 -20.582 -8.070 1.00 0.00 H new ATOM 0 HD1 TYR A 68 22.891 -21.055 -6.592 1.00 0.00 H new ATOM 0 HD2 TYR A 68 22.966 -18.022 -9.655 1.00 0.00 H new ATOM 0 HE1 TYR A 68 24.796 -19.936 -5.442 1.00 0.00 H new ATOM 0 HE2 TYR A 68 24.903 -16.943 -8.537 1.00 0.00 H new ATOM 0 HH TYR A 68 26.354 -17.051 -6.877 1.00 0.00 H new ATOM 887 N ALA A 69 20.199 -22.924 -9.144 1.00 0.00 N ATOM 888 CA ALA A 69 18.966 -23.701 -9.194 1.00 0.00 C ATOM 889 C ALA A 69 17.698 -22.850 -8.961 1.00 0.00 C ATOM 890 O ALA A 69 16.591 -23.383 -8.979 1.00 0.00 O ATOM 891 CB ALA A 69 19.087 -24.819 -8.150 1.00 0.00 C ATOM 0 H ALA A 69 20.723 -23.058 -8.279 1.00 0.00 H new ATOM 0 HA ALA A 69 18.846 -24.112 -10.196 1.00 0.00 H new ATOM 0 HB1 ALA A 69 18.180 -25.424 -8.158 1.00 0.00 H new ATOM 0 HB2 ALA A 69 19.945 -25.448 -8.388 1.00 0.00 H new ATOM 0 HB3 ALA A 69 19.222 -24.380 -7.161 1.00 0.00 H new ATOM 897 N SER A 70 17.845 -21.541 -8.707 1.00 0.00 N ATOM 898 CA SER A 70 16.744 -20.619 -8.431 1.00 0.00 C ATOM 899 C SER A 70 17.132 -19.157 -8.725 1.00 0.00 C ATOM 900 O SER A 70 18.298 -18.786 -8.528 1.00 0.00 O ATOM 901 CB SER A 70 16.323 -20.799 -6.960 1.00 0.00 C ATOM 902 OG SER A 70 15.982 -19.584 -6.315 1.00 0.00 O ATOM 0 H SER A 70 18.758 -21.087 -8.688 1.00 0.00 H new ATOM 0 HA SER A 70 15.907 -20.850 -9.090 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.470 -21.476 -6.915 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.137 -21.275 -6.413 1.00 0.00 H new ATOM 0 HG SER A 70 15.723 -19.767 -5.388 1.00 0.00 H new ATOM 908 N PRO A 71 16.161 -18.301 -9.109 1.00 0.00 N ATOM 909 CA PRO A 71 16.393 -16.883 -9.358 1.00 0.00 C ATOM 910 C PRO A 71 16.851 -16.150 -8.101 1.00 0.00 C ATOM 911 O PRO A 71 17.828 -15.408 -8.154 1.00 0.00 O ATOM 912 CB PRO A 71 15.072 -16.330 -9.899 1.00 0.00 C ATOM 913 CG PRO A 71 14.017 -17.277 -9.328 1.00 0.00 C ATOM 914 CD PRO A 71 14.750 -18.618 -9.304 1.00 0.00 C ATOM 0 HA PRO A 71 17.200 -16.737 -10.075 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.905 -15.303 -9.574 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.057 -16.325 -10.989 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.696 -16.973 -8.332 1.00 0.00 H new ATOM 0 HG3 PRO A 71 13.125 -17.314 -9.953 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.378 -19.252 -8.499 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.598 -19.163 -10.236 1.00 0.00 H new ATOM 922 N ALA A 72 16.201 -16.417 -6.961 1.00 0.00 N ATOM 923 CA ALA A 72 16.505 -15.816 -5.669 1.00 0.00 C ATOM 924 C ALA A 72 17.952 -16.049 -5.215 1.00 0.00 C ATOM 925 O ALA A 72 18.451 -15.277 -4.406 1.00 0.00 O ATOM 926 CB ALA A 72 15.521 -16.363 -4.636 1.00 0.00 C ATOM 0 H ALA A 72 15.426 -17.079 -6.918 1.00 0.00 H new ATOM 0 HA ALA A 72 16.399 -14.736 -5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 72 15.734 -15.923 -3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.503 -16.110 -4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 72 15.622 -17.447 -4.575 1.00 0.00 H new ATOM 932 N HIS A 73 18.650 -17.064 -5.744 1.00 0.00 N ATOM 933 CA HIS A 73 20.079 -17.264 -5.471 1.00 0.00 C ATOM 934 C HIS A 73 20.955 -16.380 -6.361 1.00 0.00 C ATOM 935 O HIS A 73 21.866 -15.726 -5.862 1.00 0.00 O ATOM 936 CB HIS A 73 20.451 -18.743 -5.632 1.00 0.00 C ATOM 937 CG HIS A 73 19.765 -19.654 -4.647 1.00 0.00 C ATOM 938 ND1 HIS A 73 19.449 -19.318 -3.349 1.00 0.00 N ATOM 939 CD2 HIS A 73 19.404 -20.957 -4.852 1.00 0.00 C ATOM 940 CE1 HIS A 73 18.899 -20.396 -2.769 1.00 0.00 C ATOM 941 NE2 HIS A 73 18.855 -21.404 -3.665 1.00 0.00 N ATOM 0 H HIS A 73 18.244 -17.763 -6.367 1.00 0.00 H new ATOM 0 HA HIS A 73 20.266 -16.968 -4.439 1.00 0.00 H new ATOM 0 HB2 HIS A 73 20.201 -19.063 -6.644 1.00 0.00 H new ATOM 0 HB3 HIS A 73 21.530 -18.851 -5.521 1.00 0.00 H new ATOM 0 HD2 HIS A 73 19.524 -21.525 -5.763 1.00 0.00 H new ATOM 0 HE1 HIS A 73 18.548 -20.448 -1.749 1.00 0.00 H new ATOM 0 HE2 HIS A 73 18.480 -22.337 -3.495 1.00 0.00 H new ATOM 950 N ALA A 74 20.665 -16.331 -7.665 1.00 0.00 N ATOM 951 CA ALA A 74 21.419 -15.531 -8.628 1.00 0.00 C ATOM 952 C ALA A 74 21.267 -14.028 -8.383 1.00 0.00 C ATOM 953 O ALA A 74 22.269 -13.329 -8.227 1.00 0.00 O ATOM 954 CB ALA A 74 20.973 -15.895 -10.045 1.00 0.00 C ATOM 0 H ALA A 74 19.893 -16.851 -8.083 1.00 0.00 H new ATOM 0 HA ALA A 74 22.477 -15.761 -8.503 1.00 0.00 H new ATOM 0 HB1 ALA A 74 21.533 -15.300 -10.767 1.00 0.00 H new ATOM 0 HB2 ALA A 74 21.160 -16.954 -10.224 1.00 0.00 H new ATOM 0 HB3 ALA A 74 19.908 -15.691 -10.155 1.00 0.00 H new ATOM 960 N VAL A 75 20.019 -13.548 -8.299 1.00 0.00 N ATOM 961 CA VAL A 75 19.731 -12.124 -8.075 1.00 0.00 C ATOM 962 C VAL A 75 20.297 -11.631 -6.741 1.00 0.00 C ATOM 963 O VAL A 75 20.677 -10.471 -6.628 1.00 0.00 O ATOM 964 CB VAL A 75 18.223 -11.812 -8.188 1.00 0.00 C ATOM 965 CG1 VAL A 75 17.631 -12.340 -9.507 1.00 0.00 C ATOM 966 CG2 VAL A 75 17.405 -12.354 -7.005 1.00 0.00 C ATOM 0 H VAL A 75 19.186 -14.130 -8.384 1.00 0.00 H new ATOM 0 HA VAL A 75 20.237 -11.577 -8.870 1.00 0.00 H new ATOM 0 HB VAL A 75 18.151 -10.725 -8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 75 16.568 -12.102 -9.550 1.00 0.00 H new ATOM 0 HG12 VAL A 75 18.142 -11.872 -10.348 1.00 0.00 H new ATOM 0 HG13 VAL A 75 17.763 -13.421 -9.558 1.00 0.00 H new ATOM 0 HG21 VAL A 75 16.354 -12.102 -7.144 1.00 0.00 H new ATOM 0 HG22 VAL A 75 17.515 -13.437 -6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 75 17.766 -11.908 -6.078 1.00 0.00 H new ATOM 976 N ASP A 76 20.410 -12.520 -5.751 1.00 0.00 N ATOM 977 CA ASP A 76 21.056 -12.239 -4.478 1.00 0.00 C ATOM 978 C ASP A 76 22.580 -12.225 -4.623 1.00 0.00 C ATOM 979 O ASP A 76 23.202 -11.219 -4.293 1.00 0.00 O ATOM 980 CB ASP A 76 20.595 -13.266 -3.444 1.00 0.00 C ATOM 981 CG ASP A 76 21.261 -13.057 -2.087 1.00 0.00 C ATOM 982 OD1 ASP A 76 20.881 -12.082 -1.393 1.00 0.00 O ATOM 983 OD2 ASP A 76 22.170 -13.848 -1.775 1.00 0.00 O ATOM 0 H ASP A 76 20.047 -13.471 -5.818 1.00 0.00 H new ATOM 0 HA ASP A 76 20.766 -11.245 -4.137 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.513 -13.203 -3.329 1.00 0.00 H new ATOM 0 HB3 ASP A 76 20.819 -14.269 -3.806 1.00 0.00 H new ATOM 988 N ALA A 77 23.183 -13.306 -5.128 1.00 0.00 N ATOM 989 CA ALA A 77 24.628 -13.456 -5.257 1.00 0.00 C ATOM 990 C ALA A 77 25.284 -12.282 -6.002 1.00 0.00 C ATOM 991 O ALA A 77 26.303 -11.762 -5.549 1.00 0.00 O ATOM 992 CB ALA A 77 24.887 -14.790 -5.956 1.00 0.00 C ATOM 0 H ALA A 77 22.664 -14.117 -5.465 1.00 0.00 H new ATOM 0 HA ALA A 77 25.085 -13.448 -4.268 1.00 0.00 H new ATOM 0 HB1 ALA A 77 25.961 -14.938 -6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.471 -15.601 -5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 77 24.415 -14.784 -6.938 1.00 0.00 H new ATOM 998 N VAL A 78 24.663 -11.804 -7.087 1.00 0.00 N ATOM 999 CA VAL A 78 25.117 -10.621 -7.838 1.00 0.00 C ATOM 1000 C VAL A 78 25.137 -9.351 -6.992 1.00 0.00 C ATOM 1001 O VAL A 78 26.034 -8.530 -7.152 1.00 0.00 O ATOM 1002 CB VAL A 78 24.226 -10.430 -9.079 1.00 0.00 C ATOM 1003 CG1 VAL A 78 24.445 -9.105 -9.812 1.00 0.00 C ATOM 1004 CG2 VAL A 78 24.467 -11.586 -10.054 1.00 0.00 C ATOM 0 H VAL A 78 23.821 -12.231 -7.475 1.00 0.00 H new ATOM 0 HA VAL A 78 26.148 -10.802 -8.143 1.00 0.00 H new ATOM 0 HB VAL A 78 23.198 -10.415 -8.717 1.00 0.00 H new ATOM 0 HG11 VAL A 78 23.779 -9.051 -10.673 1.00 0.00 H new ATOM 0 HG12 VAL A 78 24.233 -8.276 -9.137 1.00 0.00 H new ATOM 0 HG13 VAL A 78 25.480 -9.043 -10.149 1.00 0.00 H new ATOM 0 HG21 VAL A 78 23.838 -11.456 -10.935 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.515 -11.596 -10.354 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.219 -12.530 -9.568 1.00 0.00 H new ATOM 1014 N LYS A 79 24.178 -9.198 -6.076 1.00 0.00 N ATOM 1015 CA LYS A 79 24.061 -8.060 -5.155 1.00 0.00 C ATOM 1016 C LYS A 79 24.825 -8.266 -3.835 1.00 0.00 C ATOM 1017 O LYS A 79 24.780 -7.388 -2.981 1.00 0.00 O ATOM 1018 CB LYS A 79 22.567 -7.763 -4.925 1.00 0.00 C ATOM 1019 CG LYS A 79 21.965 -6.838 -6.003 1.00 0.00 C ATOM 1020 CD LYS A 79 20.620 -7.357 -6.531 1.00 0.00 C ATOM 1021 CE LYS A 79 19.698 -6.262 -7.067 1.00 0.00 C ATOM 1022 NZ LYS A 79 20.224 -5.640 -8.297 1.00 0.00 N ATOM 0 H LYS A 79 23.435 -9.885 -5.949 1.00 0.00 H new ATOM 0 HA LYS A 79 24.537 -7.194 -5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 79 22.014 -8.702 -4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 79 22.440 -7.302 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 79 21.829 -5.840 -5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 79 22.667 -6.745 -6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 79 20.808 -8.080 -7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 79 20.108 -7.889 -5.729 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.714 -6.685 -7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 79 19.565 -5.496 -6.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.565 -4.904 -8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 21.151 -5.212 -8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.327 -6.365 -9.036 1.00 0.00 H new ATOM 1036 N ASN A 80 25.542 -9.384 -3.668 1.00 0.00 N ATOM 1037 CA ASN A 80 26.316 -9.687 -2.459 1.00 0.00 C ATOM 1038 C ASN A 80 27.801 -9.965 -2.730 1.00 0.00 C ATOM 1039 O ASN A 80 28.608 -9.802 -1.822 1.00 0.00 O ATOM 1040 CB ASN A 80 25.706 -10.905 -1.759 1.00 0.00 C ATOM 1041 CG ASN A 80 24.439 -10.626 -0.975 1.00 0.00 C ATOM 1042 OD1 ASN A 80 24.444 -10.566 0.241 1.00 0.00 O ATOM 1043 ND2 ASN A 80 23.318 -10.543 -1.652 1.00 0.00 N ATOM 0 H ASN A 80 25.601 -10.113 -4.379 1.00 0.00 H new ATOM 0 HA ASN A 80 26.268 -8.797 -1.831 1.00 0.00 H new ATOM 0 HB2 ASN A 80 25.491 -11.666 -2.509 1.00 0.00 H new ATOM 0 HB3 ASN A 80 26.449 -11.326 -1.082 1.00 0.00 H new ATOM 0 HD21 ASN A 80 22.432 -10.426 -1.160 1.00 0.00 H new ATOM 0 HD22 ASN A 80 23.332 -10.595 -2.671 1.00 0.00 H new ATOM 1050 N ALA A 81 28.165 -10.385 -3.947 1.00 0.00 N ATOM 1051 CA ALA A 81 29.530 -10.733 -4.328 1.00 0.00 C ATOM 1052 C ALA A 81 30.119 -9.785 -5.389 1.00 0.00 C ATOM 1053 O ALA A 81 31.095 -10.130 -6.055 1.00 0.00 O ATOM 1054 CB ALA A 81 29.545 -12.177 -4.811 1.00 0.00 C ATOM 0 H ALA A 81 27.498 -10.494 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 81 30.169 -10.622 -3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.559 -12.453 -5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 81 29.205 -12.832 -4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 81 28.882 -12.280 -5.670 1.00 0.00 H new ATOM 1060 N ASP A 82 29.533 -8.594 -5.552 1.00 0.00 N ATOM 1061 CA ASP A 82 29.893 -7.562 -6.525 1.00 0.00 C ATOM 1062 C ASP A 82 31.322 -7.003 -6.360 1.00 0.00 C ATOM 1063 O ASP A 82 31.527 -5.875 -5.919 1.00 0.00 O ATOM 1064 CB ASP A 82 28.845 -6.438 -6.474 1.00 0.00 C ATOM 1065 CG ASP A 82 29.108 -5.348 -7.525 1.00 0.00 C ATOM 1066 OD1 ASP A 82 29.674 -5.684 -8.594 1.00 0.00 O ATOM 1067 OD2 ASP A 82 28.721 -4.189 -7.248 1.00 0.00 O ATOM 0 H ASP A 82 28.745 -8.309 -4.970 1.00 0.00 H new ATOM 0 HA ASP A 82 29.895 -8.035 -7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 82 27.853 -6.861 -6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 82 28.845 -5.989 -5.481 1.00 0.00 H new ATOM 1072 N GLY A 83 32.322 -7.790 -6.759 1.00 0.00 N ATOM 1073 CA GLY A 83 33.725 -7.392 -6.796 1.00 0.00 C ATOM 1074 C GLY A 83 34.554 -8.014 -5.675 1.00 0.00 C ATOM 1075 O GLY A 83 34.875 -7.377 -4.677 1.00 0.00 O ATOM 0 H GLY A 83 32.171 -8.748 -7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 83 34.152 -7.678 -7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 83 33.790 -6.306 -6.728 1.00 0.00 H new ATOM 1079 N TYR A 84 34.914 -9.282 -5.879 1.00 0.00 N ATOM 1080 CA TYR A 84 35.714 -10.123 -4.990 1.00 0.00 C ATOM 1081 C TYR A 84 37.043 -9.464 -4.561 1.00 0.00 C ATOM 1082 O TYR A 84 37.666 -8.726 -5.326 1.00 0.00 O ATOM 1083 CB TYR A 84 36.006 -11.435 -5.735 1.00 0.00 C ATOM 1084 CG TYR A 84 34.878 -12.030 -6.557 1.00 0.00 C ATOM 1085 CD1 TYR A 84 33.695 -12.466 -5.935 1.00 0.00 C ATOM 1086 CD2 TYR A 84 35.042 -12.207 -7.944 1.00 0.00 C ATOM 1087 CE1 TYR A 84 32.716 -13.143 -6.681 1.00 0.00 C ATOM 1088 CE2 TYR A 84 34.043 -12.836 -8.704 1.00 0.00 C ATOM 1089 CZ TYR A 84 32.888 -13.326 -8.063 1.00 0.00 C ATOM 1090 OH TYR A 84 31.943 -14.000 -8.759 1.00 0.00 O ATOM 0 H TYR A 84 34.636 -9.780 -6.725 1.00 0.00 H new ATOM 0 HA TYR A 84 35.148 -10.290 -4.074 1.00 0.00 H new ATOM 0 HB2 TYR A 84 36.855 -11.266 -6.398 1.00 0.00 H new ATOM 0 HB3 TYR A 84 36.318 -12.178 -5.001 1.00 0.00 H new ATOM 0 HD1 TYR A 84 33.539 -12.280 -4.883 1.00 0.00 H new ATOM 0 HD2 TYR A 84 35.942 -11.857 -8.427 1.00 0.00 H new ATOM 0 HE1 TYR A 84 31.831 -13.523 -6.192 1.00 0.00 H new ATOM 0 HE2 TYR A 84 34.159 -12.943 -9.772 1.00 0.00 H new ATOM 0 HH TYR A 84 31.584 -14.724 -8.206 1.00 0.00 H new ATOM 1100 N LYS A 85 37.528 -9.766 -3.349 1.00 0.00 N ATOM 1101 CA LYS A 85 38.682 -9.071 -2.747 1.00 0.00 C ATOM 1102 C LYS A 85 40.012 -9.796 -3.006 1.00 0.00 C ATOM 1103 O LYS A 85 40.683 -10.172 -2.047 1.00 0.00 O ATOM 1104 CB LYS A 85 38.489 -8.825 -1.230 1.00 0.00 C ATOM 1105 CG LYS A 85 37.080 -8.631 -0.690 1.00 0.00 C ATOM 1106 CD LYS A 85 36.148 -7.635 -1.382 1.00 0.00 C ATOM 1107 CE LYS A 85 36.771 -6.289 -1.736 1.00 0.00 C ATOM 1108 NZ LYS A 85 35.723 -5.331 -2.145 1.00 0.00 N ATOM 0 H LYS A 85 37.135 -10.497 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 85 38.733 -8.103 -3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 85 38.932 -9.669 -0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 85 39.069 -7.941 -0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 85 36.588 -9.603 -0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 85 37.167 -8.329 0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 85 35.770 -8.093 -2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 85 35.288 -7.459 -0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 85 37.317 -5.897 -0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 85 37.493 -6.416 -2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 36.104 -4.687 -2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 34.912 -5.850 -2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 35.415 -4.780 -1.319 1.00 0.00 H new ATOM 1122 N LEU A 86 40.414 -9.965 -4.278 1.00 0.00 N ATOM 1123 CA LEU A 86 41.560 -10.810 -4.697 1.00 0.00 C ATOM 1124 C LEU A 86 42.762 -10.699 -3.749 1.00 0.00 C ATOM 1125 O LEU A 86 43.305 -11.703 -3.286 1.00 0.00 O ATOM 1126 CB LEU A 86 41.985 -10.428 -6.130 1.00 0.00 C ATOM 1127 CG LEU A 86 42.768 -11.463 -6.960 1.00 0.00 C ATOM 1128 CD1 LEU A 86 44.233 -11.606 -6.549 1.00 0.00 C ATOM 1129 CD2 LEU A 86 42.115 -12.847 -6.961 1.00 0.00 C ATOM 0 H LEU A 86 39.946 -9.512 -5.063 1.00 0.00 H new ATOM 0 HA LEU A 86 41.226 -11.847 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 86 41.084 -10.169 -6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 86 42.592 -9.525 -6.067 1.00 0.00 H new ATOM 0 HG LEU A 86 42.738 -11.055 -7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 86 44.716 -12.353 -7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 86 44.739 -10.648 -6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 86 44.290 -11.920 -5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 86 42.713 -13.531 -7.562 1.00 0.00 H new ATOM 0 HD22 LEU A 86 42.054 -13.221 -5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 86 41.112 -12.776 -7.382 1.00 0.00 H new ATOM 1141 N ASP A 87 43.106 -9.440 -3.467 1.00 0.00 N ATOM 1142 CA ASP A 87 44.039 -8.972 -2.453 1.00 0.00 C ATOM 1143 C ASP A 87 43.545 -7.630 -1.890 1.00 0.00 C ATOM 1144 O ASP A 87 43.175 -7.554 -0.722 1.00 0.00 O ATOM 1145 CB ASP A 87 45.435 -8.864 -3.080 1.00 0.00 C ATOM 1146 CG ASP A 87 46.400 -8.075 -2.193 1.00 0.00 C ATOM 1147 OD1 ASP A 87 46.737 -8.575 -1.103 1.00 0.00 O ATOM 1148 OD2 ASP A 87 46.750 -6.948 -2.620 1.00 0.00 O ATOM 0 H ASP A 87 42.703 -8.662 -3.988 1.00 0.00 H new ATOM 0 HA ASP A 87 44.098 -9.673 -1.620 1.00 0.00 H new ATOM 0 HB2 ASP A 87 45.834 -9.864 -3.251 1.00 0.00 H new ATOM 0 HB3 ASP A 87 45.359 -8.380 -4.054 1.00 0.00 H new ATOM 1153 N LYS A 88 43.538 -6.576 -2.721 1.00 0.00 N ATOM 1154 CA LYS A 88 43.129 -5.220 -2.316 1.00 0.00 C ATOM 1155 C LYS A 88 42.731 -4.352 -3.514 1.00 0.00 C ATOM 1156 O LYS A 88 41.630 -3.815 -3.548 1.00 0.00 O ATOM 1157 CB LYS A 88 44.276 -4.573 -1.502 1.00 0.00 C ATOM 1158 CG LYS A 88 43.849 -3.617 -0.374 1.00 0.00 C ATOM 1159 CD LYS A 88 43.132 -2.333 -0.836 1.00 0.00 C ATOM 1160 CE LYS A 88 43.605 -1.103 -0.044 1.00 0.00 C ATOM 1161 NZ LYS A 88 42.970 -0.993 1.285 1.00 0.00 N ATOM 0 H LYS A 88 43.818 -6.640 -3.700 1.00 0.00 H new ATOM 0 HA LYS A 88 42.238 -5.295 -1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 88 44.880 -5.369 -1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 88 44.919 -4.026 -2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 88 43.191 -4.156 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 88 44.735 -3.334 0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 88 43.317 -2.175 -1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 88 42.056 -2.453 -0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 88 44.687 -1.151 0.079 1.00 0.00 H new ATOM 0 HE3 LYS A 88 43.390 -0.203 -0.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 43.327 -0.146 1.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 41.939 -0.918 1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 43.196 -1.837 1.849 1.00 0.00 H new ATOM 1175 N GLN A 89 43.644 -4.194 -4.482 1.00 0.00 N ATOM 1176 CA GLN A 89 43.471 -3.309 -5.642 1.00 0.00 C ATOM 1177 C GLN A 89 42.714 -3.982 -6.801 1.00 0.00 C ATOM 1178 O GLN A 89 42.023 -3.312 -7.559 1.00 0.00 O ATOM 1179 CB GLN A 89 44.854 -2.838 -6.141 1.00 0.00 C ATOM 1180 CG GLN A 89 44.882 -1.365 -6.592 1.00 0.00 C ATOM 1181 CD GLN A 89 45.430 -0.422 -5.521 1.00 0.00 C ATOM 1182 OE1 GLN A 89 46.274 0.420 -5.773 1.00 0.00 O ATOM 1183 NE2 GLN A 89 44.984 -0.532 -4.285 1.00 0.00 N ATOM 0 H GLN A 89 44.538 -4.685 -4.481 1.00 0.00 H new ATOM 0 HA GLN A 89 42.869 -2.462 -5.311 1.00 0.00 H new ATOM 0 HB2 GLN A 89 45.585 -2.979 -5.345 1.00 0.00 H new ATOM 0 HB3 GLN A 89 45.164 -3.469 -6.974 1.00 0.00 H new ATOM 0 HG2 GLN A 89 45.492 -1.278 -7.491 1.00 0.00 H new ATOM 0 HG3 GLN A 89 43.872 -1.054 -6.860 1.00 0.00 H new ATOM 0 HE21 GLN A 89 44.278 -1.232 -4.058 1.00 0.00 H new ATOM 0 HE22 GLN A 89 45.345 0.083 -3.556 1.00 0.00 H new ATOM 1192 N HIS A 90 42.882 -5.300 -6.962 1.00 0.00 N ATOM 1193 CA HIS A 90 42.257 -6.122 -8.003 1.00 0.00 C ATOM 1194 C HIS A 90 40.782 -6.366 -7.659 1.00 0.00 C ATOM 1195 O HIS A 90 40.499 -7.099 -6.710 1.00 0.00 O ATOM 1196 CB HIS A 90 43.006 -7.465 -8.113 1.00 0.00 C ATOM 1197 CG HIS A 90 44.216 -7.457 -9.011 1.00 0.00 C ATOM 1198 ND1 HIS A 90 45.061 -6.388 -9.237 1.00 0.00 N ATOM 1199 CD2 HIS A 90 44.681 -8.527 -9.725 1.00 0.00 C ATOM 1200 CE1 HIS A 90 46.022 -6.803 -10.085 1.00 0.00 C ATOM 1201 NE2 HIS A 90 45.810 -8.098 -10.394 1.00 0.00 N ATOM 0 H HIS A 90 43.483 -5.845 -6.344 1.00 0.00 H new ATOM 0 HA HIS A 90 42.312 -5.602 -8.959 1.00 0.00 H new ATOM 0 HB2 HIS A 90 43.317 -7.771 -7.114 1.00 0.00 H new ATOM 0 HB3 HIS A 90 42.310 -8.221 -8.476 1.00 0.00 H new ATOM 0 HD2 HIS A 90 44.249 -9.516 -9.759 1.00 0.00 H new ATOM 0 HE1 HIS A 90 46.833 -6.195 -10.458 1.00 0.00 H new ATOM 0 HE2 HIS A 90 46.386 -8.665 -11.016 1.00 0.00 H new ATOM 1210 N THR A 91 39.870 -5.786 -8.442 1.00 0.00 N ATOM 1211 CA THR A 91 38.420 -5.864 -8.220 1.00 0.00 C ATOM 1212 C THR A 91 37.706 -6.348 -9.479 1.00 0.00 C ATOM 1213 O THR A 91 38.134 -6.090 -10.607 1.00 0.00 O ATOM 1214 CB THR A 91 37.842 -4.503 -7.797 1.00 0.00 C ATOM 1215 OG1 THR A 91 38.739 -3.817 -6.959 1.00 0.00 O ATOM 1216 CG2 THR A 91 36.541 -4.644 -7.008 1.00 0.00 C ATOM 0 H THR A 91 40.121 -5.238 -9.265 1.00 0.00 H new ATOM 0 HA THR A 91 38.255 -6.578 -7.413 1.00 0.00 H new ATOM 0 HB THR A 91 37.662 -3.960 -8.725 1.00 0.00 H new ATOM 0 HG1 THR A 91 38.353 -2.954 -6.703 1.00 0.00 H new ATOM 0 HG21 THR A 91 36.173 -3.655 -6.733 1.00 0.00 H new ATOM 0 HG22 THR A 91 35.796 -5.150 -7.622 1.00 0.00 H new ATOM 0 HG23 THR A 91 36.724 -5.227 -6.106 1.00 0.00 H new ATOM 1224 N PHE A 92 36.590 -7.040 -9.274 1.00 0.00 N ATOM 1225 CA PHE A 92 35.805 -7.696 -10.321 1.00 0.00 C ATOM 1226 C PHE A 92 34.431 -7.039 -10.443 1.00 0.00 C ATOM 1227 O PHE A 92 34.096 -6.149 -9.661 1.00 0.00 O ATOM 1228 CB PHE A 92 35.678 -9.195 -10.016 1.00 0.00 C ATOM 1229 CG PHE A 92 36.996 -9.853 -9.671 1.00 0.00 C ATOM 1230 CD1 PHE A 92 37.514 -9.700 -8.380 1.00 0.00 C ATOM 1231 CD2 PHE A 92 37.714 -10.594 -10.623 1.00 0.00 C ATOM 1232 CE1 PHE A 92 38.751 -10.256 -8.039 1.00 0.00 C ATOM 1233 CE2 PHE A 92 38.958 -11.153 -10.280 1.00 0.00 C ATOM 1234 CZ PHE A 92 39.486 -10.967 -8.997 1.00 0.00 C ATOM 0 H PHE A 92 36.191 -7.165 -8.344 1.00 0.00 H new ATOM 0 HA PHE A 92 36.316 -7.583 -11.277 1.00 0.00 H new ATOM 0 HB2 PHE A 92 34.984 -9.332 -9.186 1.00 0.00 H new ATOM 0 HB3 PHE A 92 35.245 -9.698 -10.880 1.00 0.00 H new ATOM 0 HD1 PHE A 92 36.953 -9.148 -7.640 1.00 0.00 H new ATOM 0 HD2 PHE A 92 37.312 -10.734 -11.616 1.00 0.00 H new ATOM 0 HE1 PHE A 92 39.139 -10.138 -7.038 1.00 0.00 H new ATOM 0 HE2 PHE A 92 39.508 -11.728 -11.010 1.00 0.00 H new ATOM 0 HZ PHE A 92 40.456 -11.370 -8.746 1.00 0.00 H new ATOM 1244 N ARG A 93 33.622 -7.483 -11.408 1.00 0.00 N ATOM 1245 CA ARG A 93 32.274 -6.944 -11.633 1.00 0.00 C ATOM 1246 C ARG A 93 31.280 -8.083 -11.849 1.00 0.00 C ATOM 1247 O ARG A 93 31.172 -8.602 -12.961 1.00 0.00 O ATOM 1248 CB ARG A 93 32.285 -5.951 -12.812 1.00 0.00 C ATOM 1249 CG ARG A 93 33.266 -4.771 -12.673 1.00 0.00 C ATOM 1250 CD ARG A 93 32.992 -3.865 -11.458 1.00 0.00 C ATOM 1251 NE ARG A 93 32.826 -2.452 -11.842 1.00 0.00 N ATOM 1252 CZ ARG A 93 31.746 -1.909 -12.391 1.00 0.00 C ATOM 1253 NH1 ARG A 93 30.656 -2.607 -12.624 1.00 0.00 N ATOM 1254 NH2 ARG A 93 31.747 -0.639 -12.720 1.00 0.00 N ATOM 0 H ARG A 93 33.881 -8.226 -12.057 1.00 0.00 H new ATOM 0 HA ARG A 93 31.953 -6.394 -10.749 1.00 0.00 H new ATOM 0 HB2 ARG A 93 32.528 -6.498 -13.723 1.00 0.00 H new ATOM 0 HB3 ARG A 93 31.279 -5.552 -12.938 1.00 0.00 H new ATOM 0 HG2 ARG A 93 34.280 -5.163 -12.599 1.00 0.00 H new ATOM 0 HG3 ARG A 93 33.223 -4.168 -13.580 1.00 0.00 H new ATOM 0 HD2 ARG A 93 32.093 -4.209 -10.947 1.00 0.00 H new ATOM 0 HD3 ARG A 93 33.815 -3.953 -10.749 1.00 0.00 H new ATOM 0 HE ARG A 93 33.617 -1.831 -11.669 1.00 0.00 H new ATOM 0 HH11 ARG A 93 30.623 -3.597 -12.381 1.00 0.00 H new ATOM 0 HH12 ARG A 93 29.844 -2.158 -13.047 1.00 0.00 H new ATOM 0 HH21 ARG A 93 32.577 -0.070 -12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 93 30.918 -0.221 -13.142 1.00 0.00 H new ATOM 1268 N VAL A 94 30.581 -8.496 -10.789 1.00 0.00 N ATOM 1269 CA VAL A 94 29.574 -9.567 -10.874 1.00 0.00 C ATOM 1270 C VAL A 94 28.237 -8.975 -11.302 1.00 0.00 C ATOM 1271 O VAL A 94 27.724 -8.076 -10.642 1.00 0.00 O ATOM 1272 CB VAL A 94 29.414 -10.350 -9.560 1.00 0.00 C ATOM 1273 CG1 VAL A 94 28.440 -11.525 -9.735 1.00 0.00 C ATOM 1274 CG2 VAL A 94 30.753 -10.942 -9.117 1.00 0.00 C ATOM 0 H VAL A 94 30.692 -8.104 -9.854 1.00 0.00 H new ATOM 0 HA VAL A 94 29.925 -10.282 -11.618 1.00 0.00 H new ATOM 0 HB VAL A 94 29.036 -9.647 -8.818 1.00 0.00 H new ATOM 0 HG11 VAL A 94 28.345 -12.062 -8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 94 27.464 -11.146 -10.037 1.00 0.00 H new ATOM 0 HG13 VAL A 94 28.820 -12.201 -10.501 1.00 0.00 H new ATOM 0 HG21 VAL A 94 30.617 -11.492 -8.186 1.00 0.00 H new ATOM 0 HG22 VAL A 94 31.124 -11.618 -9.887 1.00 0.00 H new ATOM 0 HG23 VAL A 94 31.473 -10.138 -8.962 1.00 0.00 H new ATOM 1284 N ASN A 95 27.685 -9.468 -12.411 1.00 0.00 N ATOM 1285 CA ASN A 95 26.419 -9.023 -12.994 1.00 0.00 C ATOM 1286 C ASN A 95 25.607 -10.225 -13.517 1.00 0.00 C ATOM 1287 O ASN A 95 26.052 -11.371 -13.454 1.00 0.00 O ATOM 1288 CB ASN A 95 26.710 -7.969 -14.081 1.00 0.00 C ATOM 1289 CG ASN A 95 27.282 -6.686 -13.499 1.00 0.00 C ATOM 1290 OD1 ASN A 95 26.564 -5.787 -13.093 1.00 0.00 O ATOM 1291 ND2 ASN A 95 28.594 -6.563 -13.448 1.00 0.00 N ATOM 0 H ASN A 95 28.124 -10.216 -12.948 1.00 0.00 H new ATOM 0 HA ASN A 95 25.797 -8.551 -12.233 1.00 0.00 H new ATOM 0 HB2 ASN A 95 27.412 -8.381 -14.806 1.00 0.00 H new ATOM 0 HB3 ASN A 95 25.790 -7.743 -14.621 1.00 0.00 H new ATOM 0 HD21 ASN A 95 29.012 -5.714 -13.068 1.00 0.00 H new ATOM 0 HD22 ASN A 95 29.191 -7.317 -13.788 1.00 0.00 H new TER 1298 ASN A 95 ATOM 1299 N ASP B 45 40.094 -22.057 -0.672 1.00 0.00 N ATOM 1300 CA ASP B 45 38.988 -22.646 0.088 1.00 0.00 C ATOM 1301 C ASP B 45 38.607 -21.784 1.299 1.00 0.00 C ATOM 1302 O ASP B 45 39.167 -20.708 1.523 1.00 0.00 O ATOM 1303 CB ASP B 45 39.343 -24.073 0.518 1.00 0.00 C ATOM 1304 CG ASP B 45 39.777 -24.966 -0.650 1.00 0.00 C ATOM 1305 OD1 ASP B 45 39.074 -24.958 -1.689 1.00 0.00 O ATOM 1306 OD2 ASP B 45 40.805 -25.661 -0.510 1.00 0.00 O ATOM 0 HA ASP B 45 38.115 -22.684 -0.564 1.00 0.00 H new ATOM 0 HB2 ASP B 45 40.145 -24.034 1.255 1.00 0.00 H new ATOM 0 HB3 ASP B 45 38.480 -24.523 1.009 1.00 0.00 H new ATOM 1311 N GLU B 46 37.634 -22.242 2.087 1.00 0.00 N ATOM 1312 CA GLU B 46 37.145 -21.536 3.273 1.00 0.00 C ATOM 1313 C GLU B 46 38.064 -21.757 4.487 1.00 0.00 C ATOM 1314 O GLU B 46 37.674 -22.343 5.493 1.00 0.00 O ATOM 1315 CB GLU B 46 35.676 -21.891 3.551 1.00 0.00 C ATOM 1316 CG GLU B 46 35.389 -23.403 3.612 1.00 0.00 C ATOM 1317 CD GLU B 46 34.333 -23.724 4.673 1.00 0.00 C ATOM 1318 OE1 GLU B 46 33.139 -23.490 4.375 1.00 0.00 O ATOM 1319 OE2 GLU B 46 34.723 -24.194 5.765 1.00 0.00 O ATOM 0 H GLU B 46 37.156 -23.127 1.917 1.00 0.00 H new ATOM 0 HA GLU B 46 37.176 -20.465 3.073 1.00 0.00 H new ATOM 0 HB2 GLU B 46 35.378 -21.438 4.497 1.00 0.00 H new ATOM 0 HB3 GLU B 46 35.054 -21.446 2.774 1.00 0.00 H new ATOM 0 HG2 GLU B 46 35.046 -23.750 2.637 1.00 0.00 H new ATOM 0 HG3 GLU B 46 36.310 -23.942 3.837 1.00 0.00 H new ATOM 1326 N ASP B 47 39.304 -21.275 4.381 1.00 0.00 N ATOM 1327 CA ASP B 47 40.330 -21.412 5.428 1.00 0.00 C ATOM 1328 C ASP B 47 40.921 -20.078 5.911 1.00 0.00 C ATOM 1329 O ASP B 47 41.230 -19.944 7.093 1.00 0.00 O ATOM 1330 CB ASP B 47 41.450 -22.339 4.926 1.00 0.00 C ATOM 1331 CG ASP B 47 41.173 -23.810 5.239 1.00 0.00 C ATOM 1332 OD1 ASP B 47 41.443 -24.201 6.399 1.00 0.00 O ATOM 1333 OD2 ASP B 47 40.734 -24.528 4.315 1.00 0.00 O ATOM 0 H ASP B 47 39.632 -20.771 3.557 1.00 0.00 H new ATOM 0 HA ASP B 47 39.831 -21.842 6.296 1.00 0.00 H new ATOM 0 HB2 ASP B 47 41.565 -22.215 3.849 1.00 0.00 H new ATOM 0 HB3 ASP B 47 42.394 -22.044 5.384 1.00 0.00 H new ATOM 1338 N VAL B 48 41.080 -19.096 5.017 1.00 0.00 N ATOM 1339 CA VAL B 48 41.600 -17.753 5.332 1.00 0.00 C ATOM 1340 C VAL B 48 40.491 -16.700 5.222 1.00 0.00 C ATOM 1341 O VAL B 48 39.326 -17.042 5.022 1.00 0.00 O ATOM 1342 CB VAL B 48 42.829 -17.406 4.464 1.00 0.00 C ATOM 1343 CG1 VAL B 48 44.049 -18.246 4.858 1.00 0.00 C ATOM 1344 CG2 VAL B 48 42.566 -17.561 2.961 1.00 0.00 C ATOM 0 H VAL B 48 40.847 -19.212 4.031 1.00 0.00 H new ATOM 0 HA VAL B 48 41.942 -17.754 6.367 1.00 0.00 H new ATOM 0 HB VAL B 48 43.036 -16.353 4.658 1.00 0.00 H new ATOM 0 HG11 VAL B 48 44.896 -17.976 4.227 1.00 0.00 H new ATOM 0 HG12 VAL B 48 44.299 -18.057 5.902 1.00 0.00 H new ATOM 0 HG13 VAL B 48 43.821 -19.304 4.726 1.00 0.00 H new ATOM 0 HG21 VAL B 48 43.467 -17.303 2.405 1.00 0.00 H new ATOM 0 HG22 VAL B 48 42.290 -18.593 2.745 1.00 0.00 H new ATOM 0 HG23 VAL B 48 41.754 -16.898 2.663 1.00 0.00 H new ATOM 1354 N LYS B 49 40.845 -15.410 5.371 1.00 0.00 N ATOM 1355 CA LYS B 49 39.926 -14.298 5.104 1.00 0.00 C ATOM 1356 C LYS B 49 39.311 -14.414 3.711 1.00 0.00 C ATOM 1357 O LYS B 49 39.843 -15.068 2.813 1.00 0.00 O ATOM 1358 CB LYS B 49 40.623 -12.930 5.226 1.00 0.00 C ATOM 1359 CG LYS B 49 40.804 -12.441 6.672 1.00 0.00 C ATOM 1360 CD LYS B 49 40.656 -10.911 6.757 1.00 0.00 C ATOM 1361 CE LYS B 49 39.183 -10.463 6.754 1.00 0.00 C ATOM 1362 NZ LYS B 49 38.523 -10.723 8.050 1.00 0.00 N ATOM 0 H LYS B 49 41.772 -15.115 5.678 1.00 0.00 H new ATOM 0 HA LYS B 49 39.142 -14.361 5.859 1.00 0.00 H new ATOM 0 HB2 LYS B 49 41.602 -12.990 4.750 1.00 0.00 H new ATOM 0 HB3 LYS B 49 40.044 -12.190 4.674 1.00 0.00 H new ATOM 0 HG2 LYS B 49 40.066 -12.918 7.317 1.00 0.00 H new ATOM 0 HG3 LYS B 49 41.787 -12.736 7.040 1.00 0.00 H new ATOM 0 HD2 LYS B 49 41.140 -10.552 7.665 1.00 0.00 H new ATOM 0 HD3 LYS B 49 41.175 -10.451 5.916 1.00 0.00 H new ATOM 0 HE2 LYS B 49 39.128 -9.398 6.526 1.00 0.00 H new ATOM 0 HE3 LYS B 49 38.646 -10.986 5.962 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 37.554 -10.346 8.028 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 38.492 -11.748 8.224 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 39.058 -10.259 8.811 1.00 0.00 H new ATOM 1376 N ASP B 50 38.214 -13.697 3.521 1.00 0.00 N ATOM 1377 CA ASP B 50 37.378 -13.762 2.332 1.00 0.00 C ATOM 1378 C ASP B 50 38.004 -13.007 1.142 1.00 0.00 C ATOM 1379 O ASP B 50 37.393 -12.119 0.550 1.00 0.00 O ATOM 1380 CB ASP B 50 35.975 -13.257 2.681 1.00 0.00 C ATOM 1381 CG ASP B 50 35.513 -13.643 4.085 1.00 0.00 C ATOM 1382 OD1 ASP B 50 35.852 -12.873 5.018 1.00 0.00 O ATOM 1383 OD2 ASP B 50 34.885 -14.713 4.223 1.00 0.00 O ATOM 0 H ASP B 50 37.870 -13.032 4.213 1.00 0.00 H new ATOM 0 HA ASP B 50 37.301 -14.799 2.004 1.00 0.00 H new ATOM 0 HB2 ASP B 50 35.956 -12.171 2.588 1.00 0.00 H new ATOM 0 HB3 ASP B 50 35.265 -13.652 1.954 1.00 0.00 H new ATOM 1388 N ASN B 51 39.211 -13.396 0.724 1.00 0.00 N ATOM 1389 CA ASN B 51 39.946 -12.864 -0.438 1.00 0.00 C ATOM 1390 C ASN B 51 39.230 -13.062 -1.797 1.00 0.00 C ATOM 1391 O ASN B 51 39.787 -12.813 -2.867 1.00 0.00 O ATOM 1392 CB ASN B 51 41.377 -13.434 -0.432 1.00 0.00 C ATOM 1393 CG ASN B 51 41.538 -14.719 -1.237 1.00 0.00 C ATOM 1394 OD1 ASN B 51 41.133 -15.796 -0.825 1.00 0.00 O ATOM 1395 ND2 ASN B 51 42.130 -14.632 -2.414 1.00 0.00 N ATOM 0 H ASN B 51 39.733 -14.127 1.208 1.00 0.00 H new ATOM 0 HA ASN B 51 39.986 -11.780 -0.330 1.00 0.00 H new ATOM 0 HB2 ASN B 51 42.058 -12.681 -0.829 1.00 0.00 H new ATOM 0 HB3 ASN B 51 41.677 -13.623 0.599 1.00 0.00 H new ATOM 0 HD21 ASN B 51 42.252 -15.467 -2.986 1.00 0.00 H new ATOM 0 HD22 ASN B 51 42.465 -13.729 -2.751 1.00 0.00 H new ATOM 1402 N TRP B 52 37.994 -13.549 -1.769 1.00 0.00 N ATOM 1403 CA TRP B 52 37.145 -13.748 -2.925 1.00 0.00 C ATOM 1404 C TRP B 52 35.671 -13.337 -2.664 1.00 0.00 C ATOM 1405 O TRP B 52 34.796 -13.714 -3.432 1.00 0.00 O ATOM 1406 CB TRP B 52 37.331 -15.191 -3.417 1.00 0.00 C ATOM 1407 CG TRP B 52 36.737 -15.450 -4.761 1.00 0.00 C ATOM 1408 CD1 TRP B 52 35.563 -16.084 -4.961 1.00 0.00 C ATOM 1409 CD2 TRP B 52 37.188 -15.020 -6.077 1.00 0.00 C ATOM 1410 NE1 TRP B 52 35.210 -15.993 -6.289 1.00 0.00 N ATOM 1411 CE2 TRP B 52 36.196 -15.378 -7.037 1.00 0.00 C ATOM 1412 CE3 TRP B 52 38.333 -14.350 -6.562 1.00 0.00 C ATOM 1413 CZ2 TRP B 52 36.324 -15.091 -8.401 1.00 0.00 C ATOM 1414 CZ3 TRP B 52 38.470 -14.057 -7.932 1.00 0.00 C ATOM 1415 CH2 TRP B 52 37.469 -14.413 -8.849 1.00 0.00 C ATOM 0 H TRP B 52 37.542 -13.826 -0.898 1.00 0.00 H new ATOM 0 HA TRP B 52 37.447 -13.078 -3.730 1.00 0.00 H new ATOM 0 HB2 TRP B 52 38.396 -15.419 -3.451 1.00 0.00 H new ATOM 0 HB3 TRP B 52 36.882 -15.872 -2.694 1.00 0.00 H new ATOM 0 HD1 TRP B 52 34.988 -16.586 -4.197 1.00 0.00 H new ATOM 0 HE1 TRP B 52 34.330 -16.337 -6.673 1.00 0.00 H new ATOM 0 HE3 TRP B 52 39.113 -14.059 -5.874 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 35.554 -15.387 -9.098 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 39.358 -13.551 -8.282 1.00 0.00 H new ATOM 0 HH2 TRP B 52 37.579 -14.167 -9.895 1.00 0.00 H new ATOM 1426 N ASP B 53 35.362 -12.545 -1.622 1.00 0.00 N ATOM 1427 CA ASP B 53 33.981 -12.148 -1.276 1.00 0.00 C ATOM 1428 C ASP B 53 33.800 -10.634 -1.109 1.00 0.00 C ATOM 1429 O ASP B 53 34.406 -10.056 -0.217 1.00 0.00 O ATOM 1430 CB ASP B 53 33.599 -12.847 0.033 1.00 0.00 C ATOM 1431 CG ASP B 53 32.107 -12.820 0.363 1.00 0.00 C ATOM 1432 OD1 ASP B 53 31.309 -12.308 -0.454 1.00 0.00 O ATOM 1433 OD2 ASP B 53 31.777 -13.386 1.427 1.00 0.00 O ATOM 0 H ASP B 53 36.065 -12.159 -0.992 1.00 0.00 H new ATOM 0 HA ASP B 53 33.337 -12.446 -2.104 1.00 0.00 H new ATOM 0 HB2 ASP B 53 33.927 -13.885 -0.017 1.00 0.00 H new ATOM 0 HB3 ASP B 53 34.146 -12.379 0.851 1.00 0.00 H new ATOM 1438 N ASP B 54 32.957 -9.999 -1.932 1.00 0.00 N ATOM 1439 CA ASP B 54 32.688 -8.558 -1.837 1.00 0.00 C ATOM 1440 C ASP B 54 32.330 -8.087 -0.412 1.00 0.00 C ATOM 1441 O ASP B 54 31.597 -8.737 0.330 1.00 0.00 O ATOM 1442 CB ASP B 54 31.635 -8.143 -2.870 1.00 0.00 C ATOM 1443 CG ASP B 54 31.311 -6.643 -2.833 1.00 0.00 C ATOM 1444 OD1 ASP B 54 32.245 -5.849 -2.630 1.00 0.00 O ATOM 1445 OD2 ASP B 54 30.099 -6.330 -3.003 1.00 0.00 O ATOM 0 H ASP B 54 32.444 -10.466 -2.679 1.00 0.00 H new ATOM 0 HA ASP B 54 33.621 -8.045 -2.071 1.00 0.00 H new ATOM 0 HB2 ASP B 54 31.989 -8.407 -3.867 1.00 0.00 H new ATOM 0 HB3 ASP B 54 30.721 -8.710 -2.696 1.00 0.00 H new ATOM 1450 N ASP B 55 32.869 -6.922 -0.047 1.00 0.00 N ATOM 1451 CA ASP B 55 32.735 -6.293 1.261 1.00 0.00 C ATOM 1452 C ASP B 55 31.364 -5.621 1.397 1.00 0.00 C ATOM 1453 O ASP B 55 31.206 -4.427 1.142 1.00 0.00 O ATOM 1454 CB ASP B 55 33.890 -5.297 1.475 1.00 0.00 C ATOM 1455 CG ASP B 55 35.061 -5.893 2.258 1.00 0.00 C ATOM 1456 OD1 ASP B 55 35.400 -7.068 2.010 1.00 0.00 O ATOM 1457 OD2 ASP B 55 35.618 -5.149 3.095 1.00 0.00 O ATOM 0 H ASP B 55 33.437 -6.368 -0.688 1.00 0.00 H new ATOM 0 HA ASP B 55 32.796 -7.053 2.040 1.00 0.00 H new ATOM 0 HB2 ASP B 55 34.248 -4.952 0.505 1.00 0.00 H new ATOM 0 HB3 ASP B 55 33.514 -4.423 2.006 1.00 0.00 H new TER 1462 ASP B 55