USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 703 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 3 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 74 ASN : amide:sc= 0 X(o=0,f=0.39) USER MOD Set 2.1: A 65 ASN : amide:sc= -4.53! C(o=-4.5!,f=-5.3!) USER MOD Set 2.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 20 ASN : amide:sc= -1.01 X(o=-6,f=-5.6) USER MOD Set 3.2: A 22 GLN : amide:sc= -4.97! C(o=-6!,f=-9.7!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.0092) USER MOD Single : A 10 ASN : amide:sc= -3.54! C(o=-3.5!,f=-2.6!) USER MOD Single : A 11 MET CE :methyl -138:sc= -0.173 (180deg=-2.56!) USER MOD Single : A 12 GLN : amide:sc= -3.16! C(o=-3.2!,f=-4.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -166:sc= 1.83 USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= -2.79! (180deg=-2.95!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 33 GLN : amide:sc= -2.06! K(o=-2.1!,f=-0.81) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -122:sc= -0.82 (180deg=-2.43!) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 45 THR OG1 : rot -60:sc= -0.726 USER MOD Single : A 47 MET CE :methyl 148:sc= -0.513 (180deg=-2.22!) USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 1.09 (180deg=1.02) USER MOD Single : A 52 GLN : amide:sc= -0.676 K(o=-0.68,f=-3.3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.2) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.525 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.895 K(o=-0.9,f=0) USER MOD Single : A 72 MET CE :methyl 175:sc= -1.28 (180deg=-1.43) USER MOD Single : A 79 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.019) USER MOD Single : A 83 LYS NZ :NH3+ 162:sc= 1.24 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.099 -0.641 -0.616 1.00 0.00 N ATOM 2 CA PRO A 1 2.020 -0.567 -1.770 1.00 0.00 C ATOM 3 C PRO A 1 1.998 -1.873 -2.547 1.00 0.00 C ATOM 4 O PRO A 1 1.202 -2.762 -2.242 1.00 0.00 O ATOM 5 CB PRO A 1 3.422 -0.281 -1.259 1.00 0.00 C ATOM 6 CG PRO A 1 3.297 -0.432 0.213 1.00 0.00 C ATOM 7 CD PRO A 1 1.855 -0.124 0.538 1.00 0.00 C ATOM 0 H2 PRO A 1 0.794 -1.601 -0.453 1.00 0.00 H new ATOM 0 H3 PRO A 1 0.260 -0.085 -0.782 1.00 0.00 H new ATOM 0 HA PRO A 1 1.704 0.232 -2.441 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.149 -0.979 -1.673 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.751 0.722 -1.532 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.561 -1.442 0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.969 0.249 0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.545 -0.607 1.465 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.697 0.947 0.669 1.00 0.00 H new ATOM 17 N VAL A 2 2.868 -1.990 -3.542 1.00 0.00 N ATOM 18 CA VAL A 2 2.941 -3.198 -4.354 1.00 0.00 C ATOM 19 C VAL A 2 4.366 -3.726 -4.376 1.00 0.00 C ATOM 20 O VAL A 2 5.317 -2.985 -4.106 1.00 0.00 O ATOM 21 CB VAL A 2 2.452 -2.973 -5.806 1.00 0.00 C ATOM 22 CG1 VAL A 2 1.021 -2.459 -5.822 1.00 0.00 C ATOM 23 CG2 VAL A 2 3.371 -2.021 -6.554 1.00 0.00 C ATOM 0 H VAL A 2 3.533 -1.263 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 2 2.275 -3.928 -3.894 1.00 0.00 H new ATOM 0 HB VAL A 2 2.476 -3.935 -6.317 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.700 -2.309 -6.853 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.368 -3.187 -5.341 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.968 -1.513 -5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.002 -1.883 -7.570 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.393 -1.059 -6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.378 -2.438 -6.587 1.00 0.00 H new ATOM 33 N SER A 3 4.515 -5.000 -4.683 1.00 0.00 N ATOM 34 CA SER A 3 5.817 -5.629 -4.663 1.00 0.00 C ATOM 35 C SER A 3 6.485 -5.521 -6.027 1.00 0.00 C ATOM 36 O SER A 3 5.939 -5.959 -7.039 1.00 0.00 O ATOM 37 CB SER A 3 5.676 -7.088 -4.234 1.00 0.00 C ATOM 38 OG SER A 3 5.000 -7.179 -2.988 1.00 0.00 O ATOM 0 H SER A 3 3.749 -5.618 -4.949 1.00 0.00 H new ATOM 0 HA SER A 3 6.452 -5.114 -3.942 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.127 -7.645 -4.993 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.662 -7.546 -4.154 1.00 0.00 H new ATOM 0 HG SER A 3 4.917 -8.120 -2.729 1.00 0.00 H new ATOM 44 N ILE A 4 7.659 -4.917 -6.046 1.00 0.00 N ATOM 45 CA ILE A 4 8.400 -4.715 -7.281 1.00 0.00 C ATOM 46 C ILE A 4 9.801 -5.284 -7.172 1.00 0.00 C ATOM 47 O ILE A 4 10.463 -5.144 -6.145 1.00 0.00 O ATOM 48 CB ILE A 4 8.476 -3.227 -7.659 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.560 -2.355 -6.408 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.283 -2.842 -8.516 1.00 0.00 C ATOM 51 CD1 ILE A 4 8.695 -0.880 -6.706 1.00 0.00 C ATOM 0 H ILE A 4 8.124 -4.555 -5.214 1.00 0.00 H new ATOM 0 HA ILE A 4 7.860 -5.243 -8.067 1.00 0.00 H new ATOM 0 HB ILE A 4 9.383 -3.060 -8.241 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.667 -2.515 -5.804 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.412 -2.675 -5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.348 -1.786 -8.777 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.280 -3.441 -9.426 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.363 -3.022 -7.960 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.749 -0.323 -5.770 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.603 -0.707 -7.284 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.831 -0.544 -7.279 1.00 0.00 H new ATOM 63 N LYS A 5 10.249 -5.931 -8.229 1.00 0.00 N ATOM 64 CA LYS A 5 11.528 -6.612 -8.202 1.00 0.00 C ATOM 65 C LYS A 5 12.455 -6.059 -9.262 1.00 0.00 C ATOM 66 O LYS A 5 12.019 -5.662 -10.340 1.00 0.00 O ATOM 67 CB LYS A 5 11.327 -8.106 -8.429 1.00 0.00 C ATOM 68 CG LYS A 5 10.185 -8.676 -7.613 1.00 0.00 C ATOM 69 CD LYS A 5 9.830 -10.084 -8.040 1.00 0.00 C ATOM 70 CE LYS A 5 8.325 -10.287 -8.017 1.00 0.00 C ATOM 71 NZ LYS A 5 7.954 -11.723 -8.147 1.00 0.00 N ATOM 0 H LYS A 5 9.748 -6.000 -9.115 1.00 0.00 H new ATOM 0 HA LYS A 5 11.980 -6.449 -7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.136 -8.286 -9.487 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.247 -8.634 -8.177 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.458 -8.675 -6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.310 -8.034 -7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.212 -10.273 -9.043 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.309 -10.803 -7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.920 -9.891 -7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.870 -9.720 -8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.918 -11.817 -8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.318 -12.095 -9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.366 -12.261 -7.358 1.00 0.00 H new ATOM 85 N VAL A 6 13.729 -6.044 -8.946 1.00 0.00 N ATOM 86 CA VAL A 6 14.744 -5.597 -9.878 1.00 0.00 C ATOM 87 C VAL A 6 15.737 -6.722 -10.114 1.00 0.00 C ATOM 88 O VAL A 6 16.547 -7.045 -9.241 1.00 0.00 O ATOM 89 CB VAL A 6 15.493 -4.344 -9.369 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.521 -3.878 -10.390 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.513 -3.226 -9.046 1.00 0.00 C ATOM 0 H VAL A 6 14.093 -6.340 -8.040 1.00 0.00 H new ATOM 0 HA VAL A 6 14.246 -5.325 -10.809 1.00 0.00 H new ATOM 0 HB VAL A 6 16.020 -4.612 -8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 6 17.036 -2.995 -10.011 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.245 -4.673 -10.566 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.019 -3.631 -11.325 1.00 0.00 H new ATOM 0 HG21 VAL A 6 15.061 -2.354 -8.690 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.954 -2.962 -9.944 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.821 -3.561 -8.273 1.00 0.00 H new ATOM 101 N GLN A 7 15.647 -7.339 -11.277 1.00 0.00 N ATOM 102 CA GLN A 7 16.515 -8.446 -11.616 1.00 0.00 C ATOM 103 C GLN A 7 17.911 -7.933 -11.919 1.00 0.00 C ATOM 104 O GLN A 7 18.167 -7.401 -12.997 1.00 0.00 O ATOM 105 CB GLN A 7 15.956 -9.223 -12.812 1.00 0.00 C ATOM 106 CG GLN A 7 16.117 -10.726 -12.681 1.00 0.00 C ATOM 107 CD GLN A 7 17.557 -11.166 -12.801 1.00 0.00 C ATOM 108 OE1 GLN A 7 18.006 -11.587 -13.864 1.00 0.00 O ATOM 109 NE2 GLN A 7 18.304 -10.997 -11.729 1.00 0.00 N ATOM 0 H GLN A 7 14.977 -7.089 -12.005 1.00 0.00 H new ATOM 0 HA GLN A 7 16.566 -9.125 -10.765 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.898 -8.987 -12.927 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.458 -8.889 -13.720 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.721 -11.048 -11.718 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.524 -11.220 -13.451 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.887 -10.644 -10.867 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.299 -11.219 -11.761 1.00 0.00 H new ATOM 118 N VAL A 8 18.792 -8.081 -10.949 1.00 0.00 N ATOM 119 CA VAL A 8 20.166 -7.656 -11.087 1.00 0.00 C ATOM 120 C VAL A 8 20.926 -8.585 -12.030 1.00 0.00 C ATOM 121 O VAL A 8 20.890 -9.803 -11.870 1.00 0.00 O ATOM 122 CB VAL A 8 20.857 -7.611 -9.707 1.00 0.00 C ATOM 123 CG1 VAL A 8 22.366 -7.575 -9.843 1.00 0.00 C ATOM 124 CG2 VAL A 8 20.362 -6.416 -8.909 1.00 0.00 C ATOM 0 H VAL A 8 18.573 -8.499 -10.045 1.00 0.00 H new ATOM 0 HA VAL A 8 20.172 -6.653 -11.514 1.00 0.00 H new ATOM 0 HB VAL A 8 20.597 -8.524 -9.171 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.820 -7.544 -8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.705 -8.467 -10.370 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.660 -6.688 -10.405 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.857 -6.396 -7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.589 -5.498 -9.451 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.284 -6.496 -8.765 1.00 0.00 H new ATOM 134 N PRO A 9 21.624 -8.022 -13.028 1.00 0.00 N ATOM 135 CA PRO A 9 22.373 -8.810 -14.005 1.00 0.00 C ATOM 136 C PRO A 9 23.544 -9.545 -13.358 1.00 0.00 C ATOM 137 O PRO A 9 24.117 -9.078 -12.368 1.00 0.00 O ATOM 138 CB PRO A 9 22.870 -7.763 -15.008 1.00 0.00 C ATOM 139 CG PRO A 9 22.897 -6.487 -14.242 1.00 0.00 C ATOM 140 CD PRO A 9 21.754 -6.573 -13.274 1.00 0.00 C ATOM 0 HA PRO A 9 21.765 -9.588 -14.465 1.00 0.00 H new ATOM 0 HB2 PRO A 9 23.859 -8.017 -15.388 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.206 -7.694 -15.869 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.845 -6.364 -13.719 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.785 -5.629 -14.905 1.00 0.00 H new ATOM 0 HD2 PRO A 9 21.964 -6.026 -12.355 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.840 -6.153 -13.693 1.00 0.00 H new ATOM 148 N ASN A 10 23.885 -10.702 -13.906 1.00 0.00 N ATOM 149 CA ASN A 10 24.989 -11.498 -13.385 1.00 0.00 C ATOM 150 C ASN A 10 26.324 -10.866 -13.749 1.00 0.00 C ATOM 151 O ASN A 10 26.921 -11.209 -14.767 1.00 0.00 O ATOM 152 CB ASN A 10 24.938 -12.934 -13.929 1.00 0.00 C ATOM 153 CG ASN A 10 23.739 -13.721 -13.437 1.00 0.00 C ATOM 154 OD1 ASN A 10 22.659 -13.653 -14.020 1.00 0.00 O ATOM 155 ND2 ASN A 10 23.926 -14.489 -12.372 1.00 0.00 N ATOM 0 H ASN A 10 23.413 -11.112 -14.712 1.00 0.00 H new ATOM 0 HA ASN A 10 24.890 -11.529 -12.300 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.920 -12.902 -15.018 1.00 0.00 H new ATOM 0 HB3 ASN A 10 25.850 -13.457 -13.640 1.00 0.00 H new ATOM 0 HD21 ASN A 10 23.157 -15.052 -12.008 1.00 0.00 H new ATOM 0 HD22 ASN A 10 24.839 -14.517 -11.917 1.00 0.00 H new ATOM 162 N MET A 11 26.784 -9.923 -12.937 1.00 0.00 N ATOM 163 CA MET A 11 28.074 -9.300 -13.180 1.00 0.00 C ATOM 164 C MET A 11 28.843 -9.182 -11.883 1.00 0.00 C ATOM 165 O MET A 11 28.995 -8.092 -11.340 1.00 0.00 O ATOM 166 CB MET A 11 27.904 -7.918 -13.835 1.00 0.00 C ATOM 167 CG MET A 11 27.576 -7.989 -15.324 1.00 0.00 C ATOM 168 SD MET A 11 27.999 -6.487 -16.232 1.00 0.00 S ATOM 169 CE MET A 11 26.879 -5.295 -15.511 1.00 0.00 C ATOM 0 H MET A 11 26.289 -9.578 -12.115 1.00 0.00 H new ATOM 0 HA MET A 11 28.637 -9.929 -13.869 1.00 0.00 H new ATOM 0 HB2 MET A 11 27.110 -7.376 -13.321 1.00 0.00 H new ATOM 0 HB3 MET A 11 28.821 -7.345 -13.699 1.00 0.00 H new ATOM 0 HG2 MET A 11 28.109 -8.832 -15.765 1.00 0.00 H new ATOM 0 HG3 MET A 11 26.511 -8.188 -15.443 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.463 -4.665 -16.297 1.00 0.00 H new ATOM 0 HE2 MET A 11 26.071 -5.818 -14.999 1.00 0.00 H new ATOM 0 HE3 MET A 11 27.419 -4.674 -14.796 1.00 0.00 H new ATOM 179 N GLN A 12 29.364 -10.314 -11.422 1.00 0.00 N ATOM 180 CA GLN A 12 30.003 -10.385 -10.115 1.00 0.00 C ATOM 181 C GLN A 12 31.403 -9.817 -10.204 1.00 0.00 C ATOM 182 O GLN A 12 31.839 -9.038 -9.360 1.00 0.00 O ATOM 183 CB GLN A 12 30.111 -11.835 -9.611 1.00 0.00 C ATOM 184 CG GLN A 12 28.960 -12.762 -9.988 1.00 0.00 C ATOM 185 CD GLN A 12 28.958 -13.130 -11.460 1.00 0.00 C ATOM 186 OE1 GLN A 12 29.995 -13.092 -12.124 1.00 0.00 O ATOM 187 NE2 GLN A 12 27.806 -13.510 -11.978 1.00 0.00 N ATOM 0 H GLN A 12 29.356 -11.195 -11.935 1.00 0.00 H new ATOM 0 HA GLN A 12 29.388 -9.812 -9.421 1.00 0.00 H new ATOM 0 HB2 GLN A 12 31.037 -12.264 -9.994 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.195 -11.816 -8.524 1.00 0.00 H new ATOM 0 HG2 GLN A 12 29.022 -13.672 -9.391 1.00 0.00 H new ATOM 0 HG3 GLN A 12 28.015 -12.280 -9.738 1.00 0.00 H new ATOM 0 HE21 GLN A 12 26.967 -13.529 -11.398 1.00 0.00 H new ATOM 0 HE22 GLN A 12 27.754 -13.785 -12.959 1.00 0.00 H new ATOM 196 N ASP A 13 32.094 -10.225 -11.252 1.00 0.00 N ATOM 197 CA ASP A 13 33.478 -9.845 -11.466 1.00 0.00 C ATOM 198 C ASP A 13 33.592 -9.090 -12.781 1.00 0.00 C ATOM 199 O ASP A 13 34.672 -8.701 -13.208 1.00 0.00 O ATOM 200 CB ASP A 13 34.346 -11.110 -11.490 1.00 0.00 C ATOM 201 CG ASP A 13 35.833 -10.834 -11.398 1.00 0.00 C ATOM 202 OD1 ASP A 13 36.477 -10.649 -12.449 1.00 0.00 O ATOM 203 OD2 ASP A 13 36.372 -10.841 -10.270 1.00 0.00 O ATOM 0 H ASP A 13 31.712 -10.829 -11.979 1.00 0.00 H new ATOM 0 HA ASP A 13 33.822 -9.197 -10.660 1.00 0.00 H new ATOM 0 HB2 ASP A 13 34.054 -11.755 -10.662 1.00 0.00 H new ATOM 0 HB3 ASP A 13 34.144 -11.660 -12.409 1.00 0.00 H new ATOM 208 N LYS A 14 32.448 -8.867 -13.411 1.00 0.00 N ATOM 209 CA LYS A 14 32.411 -8.249 -14.733 1.00 0.00 C ATOM 210 C LYS A 14 32.344 -6.738 -14.599 1.00 0.00 C ATOM 211 O LYS A 14 32.396 -6.007 -15.586 1.00 0.00 O ATOM 212 CB LYS A 14 31.202 -8.753 -15.526 1.00 0.00 C ATOM 213 CG LYS A 14 30.891 -10.226 -15.303 1.00 0.00 C ATOM 214 CD LYS A 14 32.082 -11.109 -15.637 1.00 0.00 C ATOM 215 CE LYS A 14 31.899 -12.513 -15.094 1.00 0.00 C ATOM 216 NZ LYS A 14 33.033 -13.402 -15.461 1.00 0.00 N ATOM 0 H LYS A 14 31.532 -9.104 -13.030 1.00 0.00 H new ATOM 0 HA LYS A 14 33.320 -8.522 -15.268 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.328 -8.162 -15.253 1.00 0.00 H new ATOM 0 HB3 LYS A 14 31.381 -8.586 -16.588 1.00 0.00 H new ATOM 0 HG2 LYS A 14 30.601 -10.383 -14.264 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.039 -10.515 -15.919 1.00 0.00 H new ATOM 0 HD2 LYS A 14 32.215 -11.150 -16.718 1.00 0.00 H new ATOM 0 HD3 LYS A 14 32.989 -10.672 -15.221 1.00 0.00 H new ATOM 0 HE2 LYS A 14 31.806 -12.473 -14.009 1.00 0.00 H new ATOM 0 HE3 LYS A 14 30.970 -12.933 -15.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 32.870 -14.352 -15.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 33.107 -13.461 -16.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 33.917 -13.016 -15.072 1.00 0.00 H new ATOM 230 N THR A 15 32.227 -6.282 -13.366 1.00 0.00 N ATOM 231 CA THR A 15 32.096 -4.865 -13.086 1.00 0.00 C ATOM 232 C THR A 15 32.405 -4.574 -11.616 1.00 0.00 C ATOM 233 O THR A 15 32.790 -5.474 -10.866 1.00 0.00 O ATOM 234 CB THR A 15 30.682 -4.363 -13.451 1.00 0.00 C ATOM 235 OG1 THR A 15 30.626 -2.932 -13.369 1.00 0.00 O ATOM 236 CG2 THR A 15 29.627 -4.979 -12.540 1.00 0.00 C ATOM 0 H THR A 15 32.220 -6.877 -12.538 1.00 0.00 H new ATOM 0 HA THR A 15 32.819 -4.330 -13.702 1.00 0.00 H new ATOM 0 HB THR A 15 30.470 -4.671 -14.475 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.691 -2.640 -13.384 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.642 -4.607 -12.821 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.648 -6.064 -12.641 1.00 0.00 H new ATOM 0 HG23 THR A 15 29.836 -4.707 -11.505 1.00 0.00 H new ATOM 244 N GLU A 16 32.233 -3.319 -11.217 1.00 0.00 N ATOM 245 CA GLU A 16 32.605 -2.868 -9.881 1.00 0.00 C ATOM 246 C GLU A 16 31.375 -2.669 -8.997 1.00 0.00 C ATOM 247 O GLU A 16 31.484 -2.228 -7.851 1.00 0.00 O ATOM 248 CB GLU A 16 33.397 -1.564 -9.982 1.00 0.00 C ATOM 249 CG GLU A 16 32.627 -0.426 -10.638 1.00 0.00 C ATOM 250 CD GLU A 16 33.473 0.817 -10.819 1.00 0.00 C ATOM 251 OE1 GLU A 16 33.714 1.532 -9.823 1.00 0.00 O ATOM 252 OE2 GLU A 16 33.911 1.081 -11.960 1.00 0.00 O ATOM 0 H GLU A 16 31.834 -2.589 -11.807 1.00 0.00 H new ATOM 0 HA GLU A 16 33.224 -3.638 -9.420 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.700 -1.256 -8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.310 -1.747 -10.549 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.257 -0.754 -11.609 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.755 -0.183 -10.030 1.00 0.00 H new ATOM 259 N TRP A 17 30.210 -2.990 -9.535 1.00 0.00 N ATOM 260 CA TRP A 17 28.961 -2.856 -8.793 1.00 0.00 C ATOM 261 C TRP A 17 28.651 -4.151 -8.049 1.00 0.00 C ATOM 262 O TRP A 17 29.281 -5.182 -8.290 1.00 0.00 O ATOM 263 CB TRP A 17 27.811 -2.510 -9.738 1.00 0.00 C ATOM 264 CG TRP A 17 28.122 -1.345 -10.619 1.00 0.00 C ATOM 265 CD1 TRP A 17 28.561 -0.115 -10.226 1.00 0.00 C ATOM 266 CD2 TRP A 17 28.028 -1.307 -12.041 1.00 0.00 C ATOM 267 NE1 TRP A 17 28.752 0.685 -11.321 1.00 0.00 N ATOM 268 CE2 TRP A 17 28.432 -0.024 -12.450 1.00 0.00 C ATOM 269 CE3 TRP A 17 27.643 -2.233 -13.011 1.00 0.00 C ATOM 270 CZ2 TRP A 17 28.465 0.348 -13.788 1.00 0.00 C ATOM 271 CZ3 TRP A 17 27.676 -1.861 -14.339 1.00 0.00 C ATOM 272 CH2 TRP A 17 28.083 -0.580 -14.717 1.00 0.00 C ATOM 0 H TRP A 17 30.100 -3.346 -10.484 1.00 0.00 H new ATOM 0 HA TRP A 17 29.074 -2.048 -8.070 1.00 0.00 H new ATOM 0 HB2 TRP A 17 27.581 -3.377 -10.357 1.00 0.00 H new ATOM 0 HB3 TRP A 17 26.918 -2.290 -9.153 1.00 0.00 H new ATOM 0 HD1 TRP A 17 28.733 0.184 -9.202 1.00 0.00 H new ATOM 0 HE1 TRP A 17 29.079 1.651 -11.300 1.00 0.00 H new ATOM 0 HE3 TRP A 17 27.324 -3.225 -12.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 28.782 1.337 -14.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 27.383 -2.571 -15.098 1.00 0.00 H new ATOM 0 HH2 TRP A 17 28.096 -0.317 -15.764 1.00 0.00 H new ATOM 283 N LYS A 18 27.665 -4.099 -7.169 1.00 0.00 N ATOM 284 CA LYS A 18 27.284 -5.249 -6.358 1.00 0.00 C ATOM 285 C LYS A 18 26.368 -6.204 -7.128 1.00 0.00 C ATOM 286 O LYS A 18 25.518 -6.882 -6.545 1.00 0.00 O ATOM 287 CB LYS A 18 26.580 -4.769 -5.089 1.00 0.00 C ATOM 288 CG LYS A 18 25.287 -4.022 -5.354 1.00 0.00 C ATOM 289 CD LYS A 18 24.102 -4.745 -4.743 1.00 0.00 C ATOM 290 CE LYS A 18 23.059 -5.103 -5.787 1.00 0.00 C ATOM 291 NZ LYS A 18 21.834 -5.647 -5.149 1.00 0.00 N ATOM 0 H LYS A 18 27.107 -3.263 -6.995 1.00 0.00 H new ATOM 0 HA LYS A 18 28.191 -5.794 -6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.369 -5.629 -4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.256 -4.120 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.354 -3.015 -4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 18 25.138 -3.917 -6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.446 -5.653 -4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.648 -4.116 -3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 18 22.807 -4.219 -6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 18 23.470 -5.838 -6.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.207 -6.040 -5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.096 -6.397 -4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 21.340 -4.886 -4.641 1.00 0.00 H new ATOM 305 N LEU A 19 26.545 -6.279 -8.428 1.00 0.00 N ATOM 306 CA LEU A 19 25.702 -7.121 -9.245 1.00 0.00 C ATOM 307 C LEU A 19 26.243 -8.546 -9.210 1.00 0.00 C ATOM 308 O LEU A 19 27.438 -8.747 -9.340 1.00 0.00 O ATOM 309 CB LEU A 19 25.683 -6.613 -10.689 1.00 0.00 C ATOM 310 CG LEU A 19 25.501 -5.104 -10.854 1.00 0.00 C ATOM 311 CD1 LEU A 19 25.475 -4.734 -12.321 1.00 0.00 C ATOM 312 CD2 LEU A 19 24.232 -4.635 -10.177 1.00 0.00 C ATOM 0 H LEU A 19 27.264 -5.768 -8.941 1.00 0.00 H new ATOM 0 HA LEU A 19 24.684 -7.099 -8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.617 -6.903 -11.170 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.879 -7.119 -11.223 1.00 0.00 H new ATOM 0 HG LEU A 19 26.347 -4.608 -10.379 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.345 -3.657 -12.422 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.414 -5.032 -12.788 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.648 -5.247 -12.811 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.126 -3.558 -10.309 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.375 -5.141 -10.620 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.280 -4.867 -9.113 1.00 0.00 H new ATOM 324 N ASN A 20 25.383 -9.531 -8.998 1.00 0.00 N ATOM 325 CA ASN A 20 25.836 -10.923 -8.932 1.00 0.00 C ATOM 326 C ASN A 20 24.762 -11.849 -9.477 1.00 0.00 C ATOM 327 O ASN A 20 24.768 -13.049 -9.213 1.00 0.00 O ATOM 328 CB ASN A 20 26.177 -11.331 -7.490 1.00 0.00 C ATOM 329 CG ASN A 20 27.267 -10.478 -6.863 1.00 0.00 C ATOM 330 OD1 ASN A 20 28.438 -10.854 -6.837 1.00 0.00 O ATOM 331 ND2 ASN A 20 26.885 -9.307 -6.384 1.00 0.00 N ATOM 0 H ASN A 20 24.379 -9.401 -8.870 1.00 0.00 H new ATOM 0 HA ASN A 20 26.738 -11.008 -9.539 1.00 0.00 H new ATOM 0 HB2 ASN A 20 25.277 -11.264 -6.879 1.00 0.00 H new ATOM 0 HB3 ASN A 20 26.492 -12.374 -7.480 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.572 -8.676 -5.973 1.00 0.00 H new ATOM 0 HD22 ASN A 20 25.903 -9.035 -6.426 1.00 0.00 H new ATOM 338 N GLY A 21 23.845 -11.281 -10.247 1.00 0.00 N ATOM 339 CA GLY A 21 22.775 -12.067 -10.821 1.00 0.00 C ATOM 340 C GLY A 21 21.595 -12.236 -9.892 1.00 0.00 C ATOM 341 O GLY A 21 20.589 -12.836 -10.270 1.00 0.00 O ATOM 0 H GLY A 21 23.824 -10.289 -10.484 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.438 -11.592 -11.743 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.160 -13.050 -11.091 1.00 0.00 H new ATOM 345 N GLN A 22 21.707 -11.717 -8.673 1.00 0.00 N ATOM 346 CA GLN A 22 20.618 -11.820 -7.714 1.00 0.00 C ATOM 347 C GLN A 22 19.457 -10.926 -8.125 1.00 0.00 C ATOM 348 O GLN A 22 19.567 -10.126 -9.048 1.00 0.00 O ATOM 349 CB GLN A 22 21.067 -11.462 -6.293 1.00 0.00 C ATOM 350 CG GLN A 22 21.421 -9.995 -6.093 1.00 0.00 C ATOM 351 CD GLN A 22 22.892 -9.708 -6.306 1.00 0.00 C ATOM 352 OE1 GLN A 22 23.740 -10.556 -6.065 1.00 0.00 O ATOM 353 NE2 GLN A 22 23.204 -8.507 -6.765 1.00 0.00 N ATOM 0 H GLN A 22 22.533 -11.226 -8.330 1.00 0.00 H new ATOM 0 HA GLN A 22 20.293 -12.860 -7.712 1.00 0.00 H new ATOM 0 HB2 GLN A 22 20.272 -11.729 -5.596 1.00 0.00 H new ATOM 0 HB3 GLN A 22 21.934 -12.070 -6.036 1.00 0.00 H new ATOM 0 HG2 GLN A 22 20.834 -9.388 -6.782 1.00 0.00 H new ATOM 0 HG3 GLN A 22 21.140 -9.693 -5.084 1.00 0.00 H new ATOM 0 HE21 GLN A 22 22.468 -7.826 -6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 22 24.180 -8.262 -6.930 1.00 0.00 H new ATOM 362 N VAL A 23 18.353 -11.053 -7.427 1.00 0.00 N ATOM 363 CA VAL A 23 17.174 -10.265 -7.726 1.00 0.00 C ATOM 364 C VAL A 23 16.759 -9.461 -6.498 1.00 0.00 C ATOM 365 O VAL A 23 16.686 -9.991 -5.389 1.00 0.00 O ATOM 366 CB VAL A 23 16.006 -11.152 -8.225 1.00 0.00 C ATOM 367 CG1 VAL A 23 15.608 -12.189 -7.186 1.00 0.00 C ATOM 368 CG2 VAL A 23 14.809 -10.300 -8.621 1.00 0.00 C ATOM 0 H VAL A 23 18.244 -11.697 -6.644 1.00 0.00 H new ATOM 0 HA VAL A 23 17.423 -9.575 -8.533 1.00 0.00 H new ATOM 0 HB VAL A 23 16.355 -11.686 -9.109 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.786 -12.793 -7.571 1.00 0.00 H new ATOM 0 HG12 VAL A 23 16.461 -12.833 -6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.292 -11.686 -6.272 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.002 -10.945 -8.968 1.00 0.00 H new ATOM 0 HG22 VAL A 23 14.470 -9.726 -7.759 1.00 0.00 H new ATOM 0 HG23 VAL A 23 15.097 -9.617 -9.421 1.00 0.00 H new ATOM 378 N LEU A 24 16.534 -8.177 -6.695 1.00 0.00 N ATOM 379 CA LEU A 24 16.133 -7.307 -5.605 1.00 0.00 C ATOM 380 C LEU A 24 14.622 -7.254 -5.503 1.00 0.00 C ATOM 381 O LEU A 24 13.929 -7.337 -6.512 1.00 0.00 O ATOM 382 CB LEU A 24 16.691 -5.902 -5.813 1.00 0.00 C ATOM 383 CG LEU A 24 18.216 -5.808 -5.819 1.00 0.00 C ATOM 384 CD1 LEU A 24 18.665 -4.370 -6.023 1.00 0.00 C ATOM 385 CD2 LEU A 24 18.782 -6.362 -4.523 1.00 0.00 C ATOM 0 H LEU A 24 16.622 -7.712 -7.599 1.00 0.00 H new ATOM 0 HA LEU A 24 16.535 -7.711 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 24 16.314 -5.514 -6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.305 -5.254 -5.026 1.00 0.00 H new ATOM 0 HG LEU A 24 18.595 -6.404 -6.649 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.754 -4.326 -6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.286 -4.002 -6.977 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.277 -3.750 -5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.869 -6.289 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.393 -5.788 -3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.490 -7.407 -4.416 1.00 0.00 H new ATOM 397 N VAL A 25 14.118 -7.107 -4.292 1.00 0.00 N ATOM 398 CA VAL A 25 12.688 -7.066 -4.061 1.00 0.00 C ATOM 399 C VAL A 25 12.350 -5.882 -3.176 1.00 0.00 C ATOM 400 O VAL A 25 12.685 -5.857 -1.990 1.00 0.00 O ATOM 401 CB VAL A 25 12.159 -8.363 -3.407 1.00 0.00 C ATOM 402 CG1 VAL A 25 10.656 -8.275 -3.189 1.00 0.00 C ATOM 403 CG2 VAL A 25 12.497 -9.579 -4.261 1.00 0.00 C ATOM 0 H VAL A 25 14.683 -7.013 -3.448 1.00 0.00 H new ATOM 0 HA VAL A 25 12.204 -6.967 -5.033 1.00 0.00 H new ATOM 0 HB VAL A 25 12.647 -8.477 -2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.301 -9.197 -2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.432 -7.432 -2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.157 -8.133 -4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.114 -10.479 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.040 -9.471 -5.245 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.579 -9.658 -4.370 1.00 0.00 H new ATOM 413 N PHE A 26 11.712 -4.895 -3.767 1.00 0.00 N ATOM 414 CA PHE A 26 11.318 -3.698 -3.060 1.00 0.00 C ATOM 415 C PHE A 26 9.803 -3.607 -3.036 1.00 0.00 C ATOM 416 O PHE A 26 9.123 -4.266 -3.817 1.00 0.00 O ATOM 417 CB PHE A 26 11.896 -2.457 -3.746 1.00 0.00 C ATOM 418 CG PHE A 26 13.395 -2.343 -3.678 1.00 0.00 C ATOM 419 CD1 PHE A 26 14.196 -2.967 -4.621 1.00 0.00 C ATOM 420 CD2 PHE A 26 14.002 -1.596 -2.680 1.00 0.00 C ATOM 421 CE1 PHE A 26 15.572 -2.852 -4.566 1.00 0.00 C ATOM 422 CE2 PHE A 26 15.377 -1.478 -2.621 1.00 0.00 C ATOM 423 CZ PHE A 26 16.163 -2.108 -3.565 1.00 0.00 C ATOM 0 H PHE A 26 11.452 -4.901 -4.753 1.00 0.00 H new ATOM 0 HA PHE A 26 11.703 -3.744 -2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.593 -2.463 -4.793 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.456 -1.569 -3.291 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.740 -3.550 -5.408 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.392 -1.100 -1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.185 -3.344 -5.306 1.00 0.00 H new ATOM 0 HE2 PHE A 26 15.837 -0.894 -1.837 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.238 -2.019 -3.520 1.00 0.00 H new ATOM 433 N THR A 27 9.270 -2.824 -2.128 1.00 0.00 N ATOM 434 CA THR A 27 7.845 -2.580 -2.106 1.00 0.00 C ATOM 435 C THR A 27 7.577 -1.086 -2.101 1.00 0.00 C ATOM 436 O THR A 27 7.955 -0.381 -1.167 1.00 0.00 O ATOM 437 CB THR A 27 7.184 -3.232 -0.883 1.00 0.00 C ATOM 438 OG1 THR A 27 7.679 -4.568 -0.721 1.00 0.00 O ATOM 439 CG2 THR A 27 5.671 -3.272 -1.022 1.00 0.00 C ATOM 0 H THR A 27 9.798 -2.346 -1.397 1.00 0.00 H new ATOM 0 HA THR A 27 7.413 -3.026 -3.002 1.00 0.00 H new ATOM 0 HB THR A 27 7.432 -2.630 -0.009 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.257 -4.981 0.061 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.237 -3.740 -0.139 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.288 -2.256 -1.120 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.402 -3.848 -1.907 1.00 0.00 H new ATOM 447 N LEU A 28 6.951 -0.615 -3.156 1.00 0.00 N ATOM 448 CA LEU A 28 6.636 0.794 -3.294 1.00 0.00 C ATOM 449 C LEU A 28 5.203 0.950 -3.760 1.00 0.00 C ATOM 450 O LEU A 28 4.654 0.054 -4.394 1.00 0.00 O ATOM 451 CB LEU A 28 7.583 1.470 -4.287 1.00 0.00 C ATOM 452 CG LEU A 28 9.036 1.589 -3.832 1.00 0.00 C ATOM 453 CD1 LEU A 28 9.906 2.112 -4.960 1.00 0.00 C ATOM 454 CD2 LEU A 28 9.142 2.499 -2.623 1.00 0.00 C ATOM 0 H LEU A 28 6.646 -1.192 -3.940 1.00 0.00 H new ATOM 0 HA LEU A 28 6.760 1.275 -2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.558 0.913 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.204 2.469 -4.501 1.00 0.00 H new ATOM 0 HG LEU A 28 9.389 0.596 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.938 2.190 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.856 1.427 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.550 3.095 -5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.184 2.572 -2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.770 3.491 -2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.548 2.089 -1.806 1.00 0.00 H new ATOM 466 N PRO A 29 4.560 2.065 -3.410 1.00 0.00 N ATOM 467 CA PRO A 29 3.206 2.353 -3.859 1.00 0.00 C ATOM 468 C PRO A 29 3.158 2.597 -5.359 1.00 0.00 C ATOM 469 O PRO A 29 4.131 3.061 -5.954 1.00 0.00 O ATOM 470 CB PRO A 29 2.827 3.622 -3.091 1.00 0.00 C ATOM 471 CG PRO A 29 4.126 4.255 -2.735 1.00 0.00 C ATOM 472 CD PRO A 29 5.100 3.127 -2.550 1.00 0.00 C ATOM 0 HA PRO A 29 2.523 1.524 -3.674 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.218 4.287 -3.703 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.245 3.386 -2.200 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.458 4.932 -3.522 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.035 4.845 -1.823 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.108 3.413 -2.850 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.155 2.811 -1.508 1.00 0.00 H new ATOM 480 N LEU A 30 2.014 2.299 -5.956 1.00 0.00 N ATOM 481 CA LEU A 30 1.808 2.474 -7.396 1.00 0.00 C ATOM 482 C LEU A 30 1.881 3.957 -7.780 1.00 0.00 C ATOM 483 O LEU A 30 1.820 4.317 -8.955 1.00 0.00 O ATOM 484 CB LEU A 30 0.447 1.885 -7.793 1.00 0.00 C ATOM 485 CG LEU A 30 0.222 1.693 -9.292 1.00 0.00 C ATOM 486 CD1 LEU A 30 1.240 0.721 -9.862 1.00 0.00 C ATOM 487 CD2 LEU A 30 -1.189 1.196 -9.563 1.00 0.00 C ATOM 0 H LEU A 30 1.201 1.930 -5.463 1.00 0.00 H new ATOM 0 HA LEU A 30 2.598 1.949 -7.932 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.331 0.920 -7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.337 2.536 -7.407 1.00 0.00 H new ATOM 0 HG LEU A 30 0.349 2.658 -9.782 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.065 0.596 -10.931 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.245 1.111 -9.702 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.142 -0.243 -9.363 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.329 1.066 -10.636 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.342 0.242 -9.059 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.909 1.924 -9.189 1.00 0.00 H new ATOM 499 N THR A 31 2.016 4.807 -6.773 1.00 0.00 N ATOM 500 CA THR A 31 2.090 6.241 -6.967 1.00 0.00 C ATOM 501 C THR A 31 3.509 6.685 -7.311 1.00 0.00 C ATOM 502 O THR A 31 3.712 7.768 -7.867 1.00 0.00 O ATOM 503 CB THR A 31 1.625 6.972 -5.700 1.00 0.00 C ATOM 504 OG1 THR A 31 2.436 6.577 -4.584 1.00 0.00 O ATOM 505 CG2 THR A 31 0.172 6.649 -5.403 1.00 0.00 C ATOM 0 H THR A 31 2.077 4.517 -5.797 1.00 0.00 H new ATOM 0 HA THR A 31 1.436 6.494 -7.801 1.00 0.00 H new ATOM 0 HB THR A 31 1.724 8.045 -5.865 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.136 7.048 -3.779 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.141 7.176 -4.501 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.449 6.964 -6.241 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.061 5.575 -5.253 1.00 0.00 H new ATOM 513 N ASP A 32 4.491 5.853 -6.975 1.00 0.00 N ATOM 514 CA ASP A 32 5.879 6.167 -7.292 1.00 0.00 C ATOM 515 C ASP A 32 6.167 5.899 -8.763 1.00 0.00 C ATOM 516 O ASP A 32 5.269 5.563 -9.541 1.00 0.00 O ATOM 517 CB ASP A 32 6.860 5.390 -6.403 1.00 0.00 C ATOM 518 CG ASP A 32 7.126 6.090 -5.083 1.00 0.00 C ATOM 519 OD1 ASP A 32 6.383 5.852 -4.111 1.00 0.00 O ATOM 520 OD2 ASP A 32 8.078 6.896 -5.010 1.00 0.00 O ATOM 0 H ASP A 32 4.353 4.967 -6.489 1.00 0.00 H new ATOM 0 HA ASP A 32 6.025 7.228 -7.092 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.460 4.395 -6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.801 5.257 -6.936 1.00 0.00 H new ATOM 525 N GLN A 33 7.420 6.043 -9.148 1.00 0.00 N ATOM 526 CA GLN A 33 7.783 5.979 -10.548 1.00 0.00 C ATOM 527 C GLN A 33 9.141 5.329 -10.742 1.00 0.00 C ATOM 528 O GLN A 33 9.849 5.044 -9.774 1.00 0.00 O ATOM 529 CB GLN A 33 7.773 7.384 -11.163 1.00 0.00 C ATOM 530 CG GLN A 33 8.573 8.418 -10.372 1.00 0.00 C ATOM 531 CD GLN A 33 7.827 8.982 -9.169 1.00 0.00 C ATOM 532 OE1 GLN A 33 8.436 9.303 -8.147 1.00 0.00 O ATOM 533 NE2 GLN A 33 6.518 9.142 -9.289 1.00 0.00 N ATOM 0 H GLN A 33 8.201 6.205 -8.512 1.00 0.00 H new ATOM 0 HA GLN A 33 7.043 5.361 -11.057 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.173 7.328 -12.176 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.741 7.725 -11.246 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.502 7.962 -10.031 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.846 9.238 -11.036 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.047 8.865 -10.150 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.981 9.543 -8.520 1.00 0.00 H new ATOM 542 N VAL A 34 9.502 5.115 -12.002 1.00 0.00 N ATOM 543 CA VAL A 34 10.766 4.475 -12.347 1.00 0.00 C ATOM 544 C VAL A 34 11.945 5.308 -11.852 1.00 0.00 C ATOM 545 O VAL A 34 13.017 4.782 -11.567 1.00 0.00 O ATOM 546 CB VAL A 34 10.898 4.264 -13.868 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.161 3.486 -14.194 1.00 0.00 C ATOM 548 CG2 VAL A 34 9.671 3.558 -14.419 1.00 0.00 C ATOM 0 H VAL A 34 8.933 5.377 -12.807 1.00 0.00 H new ATOM 0 HA VAL A 34 10.776 3.501 -11.858 1.00 0.00 H new ATOM 0 HB VAL A 34 10.970 5.242 -14.345 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.235 3.348 -15.273 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.031 4.038 -13.838 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.125 2.512 -13.705 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.784 3.418 -15.494 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.563 2.587 -13.936 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.785 4.162 -14.222 1.00 0.00 H new ATOM 558 N SER A 35 11.721 6.612 -11.748 1.00 0.00 N ATOM 559 CA SER A 35 12.709 7.538 -11.207 1.00 0.00 C ATOM 560 C SER A 35 13.230 7.068 -9.841 1.00 0.00 C ATOM 561 O SER A 35 14.400 7.264 -9.511 1.00 0.00 O ATOM 562 CB SER A 35 12.089 8.935 -11.098 1.00 0.00 C ATOM 563 OG SER A 35 12.941 9.841 -10.422 1.00 0.00 O ATOM 0 H SER A 35 10.850 7.058 -12.036 1.00 0.00 H new ATOM 0 HA SER A 35 13.562 7.572 -11.884 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.874 9.315 -12.097 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.137 8.869 -10.570 1.00 0.00 H new ATOM 0 HG SER A 35 12.511 10.720 -10.374 1.00 0.00 H new ATOM 569 N VAL A 36 12.365 6.424 -9.066 1.00 0.00 N ATOM 570 CA VAL A 36 12.737 5.921 -7.758 1.00 0.00 C ATOM 571 C VAL A 36 13.549 4.634 -7.886 1.00 0.00 C ATOM 572 O VAL A 36 14.417 4.350 -7.063 1.00 0.00 O ATOM 573 CB VAL A 36 11.484 5.659 -6.908 1.00 0.00 C ATOM 574 CG1 VAL A 36 11.858 5.344 -5.479 1.00 0.00 C ATOM 575 CG2 VAL A 36 10.539 6.846 -6.970 1.00 0.00 C ATOM 0 H VAL A 36 11.396 6.239 -9.327 1.00 0.00 H new ATOM 0 HA VAL A 36 13.350 6.677 -7.267 1.00 0.00 H new ATOM 0 HB VAL A 36 10.969 4.791 -7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.954 5.162 -4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.489 4.456 -5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.401 6.186 -5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.658 6.642 -6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.044 7.734 -6.590 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.236 7.016 -8.003 1.00 0.00 H new ATOM 585 N ILE A 37 13.273 3.868 -8.932 1.00 0.00 N ATOM 586 CA ILE A 37 13.982 2.615 -9.165 1.00 0.00 C ATOM 587 C ILE A 37 15.416 2.891 -9.614 1.00 0.00 C ATOM 588 O ILE A 37 16.364 2.343 -9.060 1.00 0.00 O ATOM 589 CB ILE A 37 13.271 1.735 -10.224 1.00 0.00 C ATOM 590 CG1 ILE A 37 11.771 1.622 -9.922 1.00 0.00 C ATOM 591 CG2 ILE A 37 13.914 0.357 -10.278 1.00 0.00 C ATOM 592 CD1 ILE A 37 11.448 1.044 -8.560 1.00 0.00 C ATOM 0 H ILE A 37 12.565 4.090 -9.632 1.00 0.00 H new ATOM 0 HA ILE A 37 13.989 2.070 -8.221 1.00 0.00 H new ATOM 0 HB ILE A 37 13.382 2.210 -11.199 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.322 2.612 -9.999 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.305 1.001 -10.687 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.406 -0.252 -11.025 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.966 0.457 -10.545 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.831 -0.122 -9.302 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.367 1.000 -8.430 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.864 0.039 -8.483 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.881 1.676 -7.785 1.00 0.00 H new ATOM 604 N LYS A 38 15.566 3.768 -10.600 1.00 0.00 N ATOM 605 CA LYS A 38 16.888 4.119 -11.114 1.00 0.00 C ATOM 606 C LYS A 38 17.778 4.698 -10.018 1.00 0.00 C ATOM 607 O LYS A 38 18.968 4.386 -9.950 1.00 0.00 O ATOM 608 CB LYS A 38 16.787 5.121 -12.268 1.00 0.00 C ATOM 609 CG LYS A 38 15.777 6.228 -12.034 1.00 0.00 C ATOM 610 CD LYS A 38 16.243 7.561 -12.594 1.00 0.00 C ATOM 611 CE LYS A 38 17.279 8.216 -11.693 1.00 0.00 C ATOM 612 NZ LYS A 38 17.525 9.630 -12.074 1.00 0.00 N ATOM 0 H LYS A 38 14.792 4.249 -11.059 1.00 0.00 H new ATOM 0 HA LYS A 38 17.338 3.197 -11.482 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.767 5.567 -12.436 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.520 4.585 -13.179 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.828 5.954 -12.495 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.594 6.330 -10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.667 7.411 -13.587 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.388 8.227 -12.710 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.940 8.172 -10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.213 7.657 -11.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.237 10.042 -11.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.872 9.670 -13.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.639 10.169 -11.998 1.00 0.00 H new ATOM 626 N VAL A 39 17.211 5.538 -9.157 1.00 0.00 N ATOM 627 CA VAL A 39 18.000 6.171 -8.113 1.00 0.00 C ATOM 628 C VAL A 39 18.403 5.161 -7.040 1.00 0.00 C ATOM 629 O VAL A 39 19.547 5.160 -6.592 1.00 0.00 O ATOM 630 CB VAL A 39 17.278 7.385 -7.468 1.00 0.00 C ATOM 631 CG1 VAL A 39 16.006 6.973 -6.737 1.00 0.00 C ATOM 632 CG2 VAL A 39 18.215 8.125 -6.526 1.00 0.00 C ATOM 0 H VAL A 39 16.223 5.792 -9.163 1.00 0.00 H new ATOM 0 HA VAL A 39 18.900 6.552 -8.596 1.00 0.00 H new ATOM 0 HB VAL A 39 16.986 8.054 -8.277 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.535 7.854 -6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.318 6.504 -7.440 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.254 6.266 -5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 39 17.691 8.972 -6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 39 18.545 7.450 -5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 39 19.081 8.484 -7.082 1.00 0.00 H new ATOM 642 N LYS A 40 17.480 4.274 -6.664 1.00 0.00 N ATOM 643 CA LYS A 40 17.757 3.301 -5.612 1.00 0.00 C ATOM 644 C LYS A 40 18.844 2.319 -6.050 1.00 0.00 C ATOM 645 O LYS A 40 19.675 1.907 -5.246 1.00 0.00 O ATOM 646 CB LYS A 40 16.480 2.552 -5.184 1.00 0.00 C ATOM 647 CG LYS A 40 15.871 1.644 -6.232 1.00 0.00 C ATOM 648 CD LYS A 40 14.655 0.902 -5.695 1.00 0.00 C ATOM 649 CE LYS A 40 13.632 1.856 -5.083 1.00 0.00 C ATOM 650 NZ LYS A 40 13.919 2.178 -3.655 1.00 0.00 N ATOM 0 H LYS A 40 16.546 4.211 -7.068 1.00 0.00 H new ATOM 0 HA LYS A 40 18.123 3.850 -4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.709 1.955 -4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.732 3.287 -4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.583 2.234 -7.102 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.617 0.924 -6.568 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.188 0.338 -6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.973 0.179 -4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.613 2.780 -5.662 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.639 1.412 -5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.104 1.909 -3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.759 1.651 -3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.094 3.199 -3.558 1.00 0.00 H new ATOM 664 N ILE A 41 18.853 1.967 -7.332 1.00 0.00 N ATOM 665 CA ILE A 41 19.881 1.083 -7.871 1.00 0.00 C ATOM 666 C ILE A 41 21.229 1.800 -7.909 1.00 0.00 C ATOM 667 O ILE A 41 22.263 1.230 -7.558 1.00 0.00 O ATOM 668 CB ILE A 41 19.511 0.599 -9.286 1.00 0.00 C ATOM 669 CG1 ILE A 41 18.167 -0.124 -9.251 1.00 0.00 C ATOM 670 CG2 ILE A 41 20.595 -0.315 -9.848 1.00 0.00 C ATOM 671 CD1 ILE A 41 17.586 -0.365 -10.617 1.00 0.00 C ATOM 0 H ILE A 41 18.163 2.279 -8.015 1.00 0.00 H new ATOM 0 HA ILE A 41 19.952 0.215 -7.216 1.00 0.00 H new ATOM 0 HB ILE A 41 19.430 1.466 -9.941 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.290 -1.080 -8.742 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.462 0.463 -8.662 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.311 -0.644 -10.848 1.00 0.00 H new ATOM 0 HG22 ILE A 41 21.539 0.228 -9.899 1.00 0.00 H new ATOM 0 HG23 ILE A 41 20.711 -1.183 -9.200 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.631 -0.882 -10.520 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.432 0.589 -11.121 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.273 -0.977 -11.202 1.00 0.00 H new ATOM 683 N HIS A 42 21.195 3.062 -8.311 1.00 0.00 N ATOM 684 CA HIS A 42 22.389 3.902 -8.344 1.00 0.00 C ATOM 685 C HIS A 42 23.036 3.994 -6.960 1.00 0.00 C ATOM 686 O HIS A 42 24.258 4.057 -6.842 1.00 0.00 O ATOM 687 CB HIS A 42 22.034 5.306 -8.869 1.00 0.00 C ATOM 688 CG HIS A 42 23.061 6.354 -8.548 1.00 0.00 C ATOM 689 ND1 HIS A 42 22.828 7.396 -7.676 1.00 0.00 N ATOM 690 CD2 HIS A 42 24.341 6.503 -8.972 1.00 0.00 C ATOM 691 CE1 HIS A 42 23.916 8.135 -7.576 1.00 0.00 C ATOM 692 NE2 HIS A 42 24.851 7.614 -8.351 1.00 0.00 N ATOM 0 H HIS A 42 20.345 3.533 -8.622 1.00 0.00 H new ATOM 0 HA HIS A 42 23.111 3.445 -9.020 1.00 0.00 H new ATOM 0 HB2 HIS A 42 21.905 5.257 -9.950 1.00 0.00 H new ATOM 0 HB3 HIS A 42 21.076 5.609 -8.447 1.00 0.00 H new ATOM 0 HD2 HIS A 42 24.862 5.864 -9.670 1.00 0.00 H new ATOM 0 HE1 HIS A 42 24.024 9.018 -6.963 1.00 0.00 H new ATOM 0 HE2 HIS A 42 25.796 7.978 -8.468 1.00 0.00 H new ATOM 701 N GLU A 43 22.217 3.994 -5.924 1.00 0.00 N ATOM 702 CA GLU A 43 22.712 4.114 -4.558 1.00 0.00 C ATOM 703 C GLU A 43 23.167 2.756 -4.036 1.00 0.00 C ATOM 704 O GLU A 43 24.120 2.662 -3.260 1.00 0.00 O ATOM 705 CB GLU A 43 21.625 4.684 -3.639 1.00 0.00 C ATOM 706 CG GLU A 43 21.053 6.008 -4.116 1.00 0.00 C ATOM 707 CD GLU A 43 20.019 6.585 -3.169 1.00 0.00 C ATOM 708 OE1 GLU A 43 19.071 5.862 -2.792 1.00 0.00 O ATOM 709 OE2 GLU A 43 20.155 7.771 -2.794 1.00 0.00 O ATOM 0 H GLU A 43 21.203 3.912 -5.999 1.00 0.00 H new ATOM 0 HA GLU A 43 23.562 4.796 -4.563 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.816 3.958 -3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.040 4.817 -2.640 1.00 0.00 H new ATOM 0 HG2 GLU A 43 21.865 6.725 -4.238 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.600 5.869 -5.098 1.00 0.00 H new ATOM 716 N ALA A 44 22.489 1.713 -4.485 1.00 0.00 N ATOM 717 CA ALA A 44 22.738 0.366 -4.002 1.00 0.00 C ATOM 718 C ALA A 44 23.974 -0.245 -4.646 1.00 0.00 C ATOM 719 O ALA A 44 24.792 -0.873 -3.974 1.00 0.00 O ATOM 720 CB ALA A 44 21.523 -0.505 -4.273 1.00 0.00 C ATOM 0 H ALA A 44 21.755 1.776 -5.190 1.00 0.00 H new ATOM 0 HA ALA A 44 22.921 0.420 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 44 21.711 -1.515 -3.910 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.656 -0.090 -3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.329 -0.535 -5.345 1.00 0.00 H new ATOM 726 N THR A 45 24.105 -0.074 -5.951 1.00 0.00 N ATOM 727 CA THR A 45 25.204 -0.684 -6.682 1.00 0.00 C ATOM 728 C THR A 45 26.288 0.342 -6.982 1.00 0.00 C ATOM 729 O THR A 45 27.479 0.081 -6.809 1.00 0.00 O ATOM 730 CB THR A 45 24.715 -1.322 -8.000 1.00 0.00 C ATOM 731 OG1 THR A 45 24.584 -0.333 -9.029 1.00 0.00 O ATOM 732 CG2 THR A 45 23.364 -1.984 -7.800 1.00 0.00 C ATOM 0 H THR A 45 23.468 0.479 -6.524 1.00 0.00 H new ATOM 0 HA THR A 45 25.620 -1.469 -6.050 1.00 0.00 H new ATOM 0 HB THR A 45 25.455 -2.065 -8.298 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.936 0.347 -8.749 1.00 0.00 H new ATOM 0 HG21 THR A 45 23.034 -2.429 -8.739 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.449 -2.761 -7.040 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.638 -1.238 -7.477 1.00 0.00 H new ATOM 740 N GLY A 46 25.857 1.510 -7.432 1.00 0.00 N ATOM 741 CA GLY A 46 26.777 2.574 -7.767 1.00 0.00 C ATOM 742 C GLY A 46 26.634 3.019 -9.208 1.00 0.00 C ATOM 743 O GLY A 46 27.260 3.991 -9.633 1.00 0.00 O ATOM 0 H GLY A 46 24.873 1.741 -7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.604 3.424 -7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.799 2.238 -7.592 1.00 0.00 H new ATOM 747 N MET A 47 25.803 2.312 -9.964 1.00 0.00 N ATOM 748 CA MET A 47 25.586 2.648 -11.368 1.00 0.00 C ATOM 749 C MET A 47 24.440 3.645 -11.531 1.00 0.00 C ATOM 750 O MET A 47 23.292 3.365 -11.181 1.00 0.00 O ATOM 751 CB MET A 47 25.313 1.381 -12.190 1.00 0.00 C ATOM 752 CG MET A 47 23.989 0.711 -11.867 1.00 0.00 C ATOM 753 SD MET A 47 23.923 -1.029 -12.354 1.00 0.00 S ATOM 754 CE MET A 47 23.916 -0.905 -14.142 1.00 0.00 C ATOM 0 H MET A 47 25.271 1.507 -9.633 1.00 0.00 H new ATOM 0 HA MET A 47 26.496 3.119 -11.741 1.00 0.00 H new ATOM 0 HB2 MET A 47 25.331 1.636 -13.250 1.00 0.00 H new ATOM 0 HB3 MET A 47 26.120 0.669 -12.020 1.00 0.00 H new ATOM 0 HG2 MET A 47 23.804 0.787 -10.796 1.00 0.00 H new ATOM 0 HG3 MET A 47 23.186 1.251 -12.368 1.00 0.00 H new ATOM 0 HE1 MET A 47 24.427 -1.768 -14.569 1.00 0.00 H new ATOM 0 HE2 MET A 47 22.887 -0.878 -14.501 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.430 0.007 -14.445 1.00 0.00 H new ATOM 764 N PRO A 48 24.748 4.840 -12.043 1.00 0.00 N ATOM 765 CA PRO A 48 23.736 5.849 -12.346 1.00 0.00 C ATOM 766 C PRO A 48 22.843 5.426 -13.506 1.00 0.00 C ATOM 767 O PRO A 48 23.221 4.571 -14.315 1.00 0.00 O ATOM 768 CB PRO A 48 24.547 7.091 -12.715 1.00 0.00 C ATOM 769 CG PRO A 48 25.900 6.593 -13.087 1.00 0.00 C ATOM 770 CD PRO A 48 26.110 5.304 -12.342 1.00 0.00 C ATOM 0 HA PRO A 48 23.062 6.014 -11.505 1.00 0.00 H new ATOM 0 HB2 PRO A 48 24.086 7.628 -13.544 1.00 0.00 H new ATOM 0 HB3 PRO A 48 24.602 7.786 -11.877 1.00 0.00 H new ATOM 0 HG2 PRO A 48 25.971 6.433 -14.163 1.00 0.00 H new ATOM 0 HG3 PRO A 48 26.666 7.322 -12.822 1.00 0.00 H new ATOM 0 HD2 PRO A 48 26.655 4.578 -12.946 1.00 0.00 H new ATOM 0 HD3 PRO A 48 26.688 5.459 -11.431 1.00 0.00 H new ATOM 778 N ALA A 49 21.666 6.033 -13.591 1.00 0.00 N ATOM 779 CA ALA A 49 20.679 5.680 -14.607 1.00 0.00 C ATOM 780 C ALA A 49 21.183 5.980 -16.016 1.00 0.00 C ATOM 781 O ALA A 49 20.616 5.505 -16.997 1.00 0.00 O ATOM 782 CB ALA A 49 19.383 6.425 -14.357 1.00 0.00 C ATOM 0 H ALA A 49 21.369 6.779 -12.963 1.00 0.00 H new ATOM 0 HA ALA A 49 20.504 4.606 -14.535 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.654 6.154 -15.121 1.00 0.00 H new ATOM 0 HB2 ALA A 49 18.994 6.159 -13.374 1.00 0.00 H new ATOM 0 HB3 ALA A 49 19.567 7.499 -14.396 1.00 0.00 H new ATOM 788 N GLY A 50 22.251 6.768 -16.104 1.00 0.00 N ATOM 789 CA GLY A 50 22.829 7.124 -17.389 1.00 0.00 C ATOM 790 C GLY A 50 23.191 5.917 -18.233 1.00 0.00 C ATOM 791 O GLY A 50 23.134 5.966 -19.463 1.00 0.00 O ATOM 0 H GLY A 50 22.731 7.170 -15.299 1.00 0.00 H new ATOM 0 HA2 GLY A 50 22.122 7.746 -17.939 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.723 7.726 -17.225 1.00 0.00 H new ATOM 795 N LYS A 51 23.547 4.825 -17.574 1.00 0.00 N ATOM 796 CA LYS A 51 23.962 3.616 -18.273 1.00 0.00 C ATOM 797 C LYS A 51 23.178 2.421 -17.755 1.00 0.00 C ATOM 798 O LYS A 51 23.322 1.306 -18.246 1.00 0.00 O ATOM 799 CB LYS A 51 25.469 3.348 -18.113 1.00 0.00 C ATOM 800 CG LYS A 51 26.284 4.486 -17.496 1.00 0.00 C ATOM 801 CD LYS A 51 26.040 4.631 -16.000 1.00 0.00 C ATOM 802 CE LYS A 51 26.083 3.297 -15.287 1.00 0.00 C ATOM 803 NZ LYS A 51 27.401 2.628 -15.442 1.00 0.00 N ATOM 0 H LYS A 51 23.557 4.750 -16.557 1.00 0.00 H new ATOM 0 HA LYS A 51 23.757 3.765 -19.333 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.597 2.458 -17.497 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.885 3.119 -19.094 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.345 4.307 -17.673 1.00 0.00 H new ATOM 0 HG3 LYS A 51 26.032 5.422 -17.995 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.792 5.295 -15.573 1.00 0.00 H new ATOM 0 HD3 LYS A 51 25.070 5.099 -15.835 1.00 0.00 H new ATOM 0 HE2 LYS A 51 25.873 3.445 -14.228 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.299 2.650 -15.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.353 1.669 -15.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.645 2.571 -16.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.129 3.176 -14.941 1.00 0.00 H new ATOM 817 N GLN A 52 22.360 2.667 -16.752 1.00 0.00 N ATOM 818 CA GLN A 52 21.557 1.636 -16.127 1.00 0.00 C ATOM 819 C GLN A 52 20.141 1.669 -16.697 1.00 0.00 C ATOM 820 O GLN A 52 19.434 2.667 -16.578 1.00 0.00 O ATOM 821 CB GLN A 52 21.601 1.870 -14.614 1.00 0.00 C ATOM 822 CG GLN A 52 20.397 1.402 -13.817 1.00 0.00 C ATOM 823 CD GLN A 52 19.576 2.558 -13.293 1.00 0.00 C ATOM 824 OE1 GLN A 52 18.526 2.890 -13.833 1.00 0.00 O ATOM 825 NE2 GLN A 52 20.114 3.243 -12.304 1.00 0.00 N ATOM 0 H GLN A 52 22.233 3.594 -16.345 1.00 0.00 H new ATOM 0 HA GLN A 52 21.945 0.638 -16.333 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.486 1.372 -14.218 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.731 2.938 -14.438 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.771 0.769 -14.446 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.733 0.788 -12.981 1.00 0.00 H new ATOM 0 HE21 GLN A 52 20.989 2.930 -11.884 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.655 4.086 -11.959 1.00 0.00 H new ATOM 834 N LYS A 53 19.767 0.596 -17.376 1.00 0.00 N ATOM 835 CA LYS A 53 18.465 0.514 -18.018 1.00 0.00 C ATOM 836 C LYS A 53 17.562 -0.452 -17.275 1.00 0.00 C ATOM 837 O LYS A 53 18.009 -1.498 -16.801 1.00 0.00 O ATOM 838 CB LYS A 53 18.610 0.068 -19.477 1.00 0.00 C ATOM 839 CG LYS A 53 19.470 0.988 -20.340 1.00 0.00 C ATOM 840 CD LYS A 53 18.693 2.181 -20.890 1.00 0.00 C ATOM 841 CE LYS A 53 18.336 3.194 -19.809 1.00 0.00 C ATOM 842 NZ LYS A 53 17.636 4.383 -20.360 1.00 0.00 N ATOM 0 H LYS A 53 20.349 -0.233 -17.497 1.00 0.00 H new ATOM 0 HA LYS A 53 18.015 1.507 -17.995 1.00 0.00 H new ATOM 0 HB2 LYS A 53 19.040 -0.933 -19.496 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.617 -0.003 -19.922 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.312 1.350 -19.750 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.885 0.417 -21.170 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.286 2.672 -21.662 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.779 1.827 -21.367 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.703 2.716 -19.061 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.245 3.514 -19.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.414 5.044 -19.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.249 4.856 -21.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.755 4.083 -20.824 1.00 0.00 H new ATOM 856 N LEU A 54 16.293 -0.098 -17.181 1.00 0.00 N ATOM 857 CA LEU A 54 15.331 -0.916 -16.473 1.00 0.00 C ATOM 858 C LEU A 54 14.260 -1.399 -17.434 1.00 0.00 C ATOM 859 O LEU A 54 13.586 -0.603 -18.086 1.00 0.00 O ATOM 860 CB LEU A 54 14.704 -0.122 -15.325 1.00 0.00 C ATOM 861 CG LEU A 54 15.698 0.688 -14.489 1.00 0.00 C ATOM 862 CD1 LEU A 54 14.985 1.437 -13.381 1.00 0.00 C ATOM 863 CD2 LEU A 54 16.776 -0.218 -13.915 1.00 0.00 C ATOM 0 H LEU A 54 15.906 0.753 -17.588 1.00 0.00 H new ATOM 0 HA LEU A 54 15.841 -1.782 -16.052 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.958 0.558 -15.737 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.177 -0.814 -14.668 1.00 0.00 H new ATOM 0 HG LEU A 54 16.175 1.420 -15.141 1.00 0.00 H new ATOM 0 HD11 LEU A 54 15.711 2.005 -12.800 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.254 2.119 -13.815 1.00 0.00 H new ATOM 0 HD13 LEU A 54 14.476 0.726 -12.730 1.00 0.00 H new ATOM 0 HD21 LEU A 54 17.473 0.376 -13.324 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.315 -0.975 -13.280 1.00 0.00 H new ATOM 0 HD23 LEU A 54 17.313 -0.705 -14.729 1.00 0.00 H new ATOM 875 N GLN A 55 14.126 -2.704 -17.536 1.00 0.00 N ATOM 876 CA GLN A 55 13.197 -3.308 -18.470 1.00 0.00 C ATOM 877 C GLN A 55 12.071 -4.029 -17.740 1.00 0.00 C ATOM 878 O GLN A 55 12.301 -4.997 -17.023 1.00 0.00 O ATOM 879 CB GLN A 55 13.951 -4.276 -19.372 1.00 0.00 C ATOM 880 CG GLN A 55 13.052 -5.187 -20.182 1.00 0.00 C ATOM 881 CD GLN A 55 13.827 -6.230 -20.954 1.00 0.00 C ATOM 882 OE1 GLN A 55 14.104 -7.314 -20.444 1.00 0.00 O ATOM 883 NE2 GLN A 55 14.157 -5.917 -22.194 1.00 0.00 N ATOM 0 H GLN A 55 14.654 -3.374 -16.977 1.00 0.00 H new ATOM 0 HA GLN A 55 12.746 -2.521 -19.074 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.582 -3.706 -20.053 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.614 -4.887 -18.759 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.347 -5.683 -19.515 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.465 -4.587 -20.877 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.905 -5.004 -22.574 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.664 -6.588 -22.772 1.00 0.00 H new ATOM 892 N TYR A 56 10.854 -3.565 -17.943 1.00 0.00 N ATOM 893 CA TYR A 56 9.690 -4.174 -17.316 1.00 0.00 C ATOM 894 C TYR A 56 8.939 -5.011 -18.323 1.00 0.00 C ATOM 895 O TYR A 56 8.340 -4.490 -19.254 1.00 0.00 O ATOM 896 CB TYR A 56 8.785 -3.106 -16.700 1.00 0.00 C ATOM 897 CG TYR A 56 7.448 -3.621 -16.183 1.00 0.00 C ATOM 898 CD1 TYR A 56 7.359 -4.823 -15.486 1.00 0.00 C ATOM 899 CD2 TYR A 56 6.275 -2.904 -16.395 1.00 0.00 C ATOM 900 CE1 TYR A 56 6.146 -5.289 -15.018 1.00 0.00 C ATOM 901 CE2 TYR A 56 5.060 -3.365 -15.929 1.00 0.00 C ATOM 902 CZ TYR A 56 5.001 -4.556 -15.242 1.00 0.00 C ATOM 903 OH TYR A 56 3.790 -5.012 -14.773 1.00 0.00 O ATOM 0 H TYR A 56 10.641 -2.765 -18.539 1.00 0.00 H new ATOM 0 HA TYR A 56 10.026 -4.826 -16.510 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.318 -2.630 -15.877 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.597 -2.335 -17.447 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.254 -5.401 -15.308 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.316 -1.969 -16.934 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.095 -6.224 -14.479 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.160 -2.794 -16.103 1.00 0.00 H new ATOM 0 HH TYR A 56 3.085 -4.376 -15.015 1.00 0.00 H new ATOM 913 N GLU A 57 9.020 -6.317 -18.128 1.00 0.00 N ATOM 914 CA GLU A 57 8.370 -7.290 -18.998 1.00 0.00 C ATOM 915 C GLU A 57 8.803 -7.124 -20.459 1.00 0.00 C ATOM 916 O GLU A 57 8.063 -7.452 -21.387 1.00 0.00 O ATOM 917 CB GLU A 57 6.854 -7.157 -18.867 1.00 0.00 C ATOM 918 CG GLU A 57 6.331 -7.633 -17.527 1.00 0.00 C ATOM 919 CD GLU A 57 6.382 -9.142 -17.380 1.00 0.00 C ATOM 920 OE1 GLU A 57 7.476 -9.688 -17.126 1.00 0.00 O ATOM 921 OE2 GLU A 57 5.326 -9.797 -17.515 1.00 0.00 O ATOM 0 H GLU A 57 9.541 -6.737 -17.358 1.00 0.00 H new ATOM 0 HA GLU A 57 8.676 -8.288 -18.685 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.573 -6.114 -19.011 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.375 -7.729 -19.662 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.916 -7.175 -16.730 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.302 -7.295 -17.402 1.00 0.00 H new ATOM 928 N GLY A 58 10.027 -6.647 -20.652 1.00 0.00 N ATOM 929 CA GLY A 58 10.562 -6.488 -21.994 1.00 0.00 C ATOM 930 C GLY A 58 10.424 -5.068 -22.508 1.00 0.00 C ATOM 931 O GLY A 58 10.617 -4.805 -23.694 1.00 0.00 O ATOM 0 H GLY A 58 10.660 -6.367 -19.903 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.614 -6.772 -21.999 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.045 -7.168 -22.671 1.00 0.00 H new ATOM 935 N ILE A 59 10.106 -4.146 -21.609 1.00 0.00 N ATOM 936 CA ILE A 59 9.888 -2.760 -21.976 1.00 0.00 C ATOM 937 C ILE A 59 10.926 -1.887 -21.297 1.00 0.00 C ATOM 938 O ILE A 59 11.003 -1.860 -20.068 1.00 0.00 O ATOM 939 CB ILE A 59 8.480 -2.289 -21.554 1.00 0.00 C ATOM 940 CG1 ILE A 59 7.430 -3.334 -21.944 1.00 0.00 C ATOM 941 CG2 ILE A 59 8.159 -0.944 -22.192 1.00 0.00 C ATOM 942 CD1 ILE A 59 6.059 -3.072 -21.364 1.00 0.00 C ATOM 0 H ILE A 59 9.993 -4.339 -20.614 1.00 0.00 H new ATOM 0 HA ILE A 59 9.974 -2.677 -23.059 1.00 0.00 H new ATOM 0 HB ILE A 59 8.462 -2.170 -20.471 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.353 -3.369 -23.031 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.770 -4.316 -21.617 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.163 -0.624 -21.885 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.892 -0.205 -21.870 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.192 -1.039 -23.277 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.372 -3.855 -21.686 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.119 -3.067 -20.276 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.695 -2.105 -21.712 1.00 0.00 H new ATOM 954 N PHE A 60 11.734 -1.195 -22.084 1.00 0.00 N ATOM 955 CA PHE A 60 12.740 -0.301 -21.531 1.00 0.00 C ATOM 956 C PHE A 60 12.081 0.954 -20.993 1.00 0.00 C ATOM 957 O PHE A 60 11.837 1.915 -21.727 1.00 0.00 O ATOM 958 CB PHE A 60 13.802 0.061 -22.568 1.00 0.00 C ATOM 959 CG PHE A 60 14.730 -1.068 -22.902 1.00 0.00 C ATOM 960 CD1 PHE A 60 15.057 -2.018 -21.945 1.00 0.00 C ATOM 961 CD2 PHE A 60 15.281 -1.178 -24.166 1.00 0.00 C ATOM 962 CE1 PHE A 60 15.917 -3.057 -22.249 1.00 0.00 C ATOM 963 CE2 PHE A 60 16.142 -2.212 -24.475 1.00 0.00 C ATOM 964 CZ PHE A 60 16.461 -3.153 -23.515 1.00 0.00 C ATOM 0 H PHE A 60 11.714 -1.234 -23.103 1.00 0.00 H new ATOM 0 HA PHE A 60 13.240 -0.823 -20.715 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.307 0.394 -23.480 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.387 0.902 -22.197 1.00 0.00 H new ATOM 0 HD1 PHE A 60 14.636 -1.945 -20.953 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.035 -0.446 -24.921 1.00 0.00 H new ATOM 0 HE1 PHE A 60 16.163 -3.793 -21.498 1.00 0.00 H new ATOM 0 HE2 PHE A 60 16.566 -2.285 -25.466 1.00 0.00 H new ATOM 0 HZ PHE A 60 17.135 -3.962 -23.754 1.00 0.00 H new ATOM 974 N ILE A 61 11.773 0.922 -19.712 1.00 0.00 N ATOM 975 CA ILE A 61 11.103 2.038 -19.062 1.00 0.00 C ATOM 976 C ILE A 61 12.101 3.148 -18.739 1.00 0.00 C ATOM 977 O ILE A 61 13.295 2.892 -18.566 1.00 0.00 O ATOM 978 CB ILE A 61 10.379 1.582 -17.774 1.00 0.00 C ATOM 979 CG1 ILE A 61 11.389 1.340 -16.642 1.00 0.00 C ATOM 980 CG2 ILE A 61 9.554 0.329 -18.048 1.00 0.00 C ATOM 981 CD1 ILE A 61 11.002 0.235 -15.680 1.00 0.00 C ATOM 0 H ILE A 61 11.975 0.134 -19.096 1.00 0.00 H new ATOM 0 HA ILE A 61 10.355 2.426 -19.754 1.00 0.00 H new ATOM 0 HB ILE A 61 9.702 2.374 -17.455 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.357 1.099 -17.081 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.515 2.266 -16.080 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.049 0.018 -17.133 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.812 0.543 -18.817 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.210 -0.471 -18.390 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.771 0.133 -14.914 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.050 0.480 -15.208 1.00 0.00 H new ATOM 0 HD13 ILE A 61 10.906 -0.704 -16.225 1.00 0.00 H new ATOM 993 N LYS A 62 11.619 4.378 -18.690 1.00 0.00 N ATOM 994 CA LYS A 62 12.460 5.510 -18.328 1.00 0.00 C ATOM 995 C LYS A 62 11.933 6.164 -17.060 1.00 0.00 C ATOM 996 O LYS A 62 10.805 5.896 -16.646 1.00 0.00 O ATOM 997 CB LYS A 62 12.552 6.529 -19.469 1.00 0.00 C ATOM 998 CG LYS A 62 11.212 7.017 -19.989 1.00 0.00 C ATOM 999 CD LYS A 62 10.830 6.317 -21.285 1.00 0.00 C ATOM 1000 CE LYS A 62 9.492 6.808 -21.814 1.00 0.00 C ATOM 1001 NZ LYS A 62 9.048 6.034 -23.003 1.00 0.00 N ATOM 0 H LYS A 62 10.650 4.620 -18.896 1.00 0.00 H new ATOM 0 HA LYS A 62 13.468 5.140 -18.142 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.129 7.388 -19.126 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.106 6.082 -20.294 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.442 6.840 -19.238 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.254 8.094 -20.154 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.603 6.490 -22.034 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.783 5.241 -21.118 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.740 6.730 -21.029 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.570 7.863 -22.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.132 6.400 -23.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.753 6.129 -23.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.948 5.031 -22.747 1.00 0.00 H new ATOM 1015 N ASP A 63 12.740 7.031 -16.462 1.00 0.00 N ATOM 1016 CA ASP A 63 12.401 7.654 -15.182 1.00 0.00 C ATOM 1017 C ASP A 63 11.234 8.621 -15.327 1.00 0.00 C ATOM 1018 O ASP A 63 10.653 9.059 -14.337 1.00 0.00 O ATOM 1019 CB ASP A 63 13.613 8.384 -14.602 1.00 0.00 C ATOM 1020 CG ASP A 63 13.989 9.632 -15.379 1.00 0.00 C ATOM 1021 OD1 ASP A 63 14.507 9.503 -16.508 1.00 0.00 O ATOM 1022 OD2 ASP A 63 13.770 10.747 -14.860 1.00 0.00 O ATOM 0 H ASP A 63 13.640 7.322 -16.843 1.00 0.00 H new ATOM 0 HA ASP A 63 12.103 6.859 -14.498 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.403 8.657 -13.568 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.465 7.704 -14.586 1.00 0.00 H new ATOM 1027 N SER A 64 10.893 8.936 -16.566 1.00 0.00 N ATOM 1028 CA SER A 64 9.771 9.810 -16.854 1.00 0.00 C ATOM 1029 C SER A 64 8.455 9.048 -16.721 1.00 0.00 C ATOM 1030 O SER A 64 7.377 9.641 -16.721 1.00 0.00 O ATOM 1031 CB SER A 64 9.901 10.376 -18.263 1.00 0.00 C ATOM 1032 OG SER A 64 11.169 10.987 -18.453 1.00 0.00 O ATOM 0 H SER A 64 11.383 8.595 -17.393 1.00 0.00 H new ATOM 0 HA SER A 64 9.775 10.630 -16.136 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.765 9.578 -18.993 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.112 11.107 -18.439 1.00 0.00 H new ATOM 0 HG SER A 64 11.228 11.341 -19.365 1.00 0.00 H new ATOM 1038 N ASN A 65 8.556 7.733 -16.590 1.00 0.00 N ATOM 1039 CA ASN A 65 7.385 6.889 -16.472 1.00 0.00 C ATOM 1040 C ASN A 65 7.166 6.557 -15.017 1.00 0.00 C ATOM 1041 O ASN A 65 8.071 6.701 -14.192 1.00 0.00 O ATOM 1042 CB ASN A 65 7.544 5.584 -17.255 1.00 0.00 C ATOM 1043 CG ASN A 65 7.800 5.786 -18.733 1.00 0.00 C ATOM 1044 OD1 ASN A 65 7.392 6.781 -19.327 1.00 0.00 O ATOM 1045 ND2 ASN A 65 8.477 4.822 -19.335 1.00 0.00 N ATOM 0 H ASN A 65 9.443 7.230 -16.563 1.00 0.00 H new ATOM 0 HA ASN A 65 6.535 7.432 -16.884 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.368 5.013 -16.828 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.642 4.984 -17.131 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.680 4.887 -20.333 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.796 4.013 -18.802 1.00 0.00 H new ATOM 1052 N SER A 66 5.990 6.078 -14.706 1.00 0.00 N ATOM 1053 CA SER A 66 5.650 5.768 -13.344 1.00 0.00 C ATOM 1054 C SER A 66 5.189 4.330 -13.251 1.00 0.00 C ATOM 1055 O SER A 66 4.945 3.681 -14.272 1.00 0.00 O ATOM 1056 CB SER A 66 4.575 6.730 -12.848 1.00 0.00 C ATOM 1057 OG SER A 66 3.371 6.579 -13.581 1.00 0.00 O ATOM 0 H SER A 66 5.249 5.894 -15.382 1.00 0.00 H new ATOM 0 HA SER A 66 6.527 5.886 -12.708 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.384 6.551 -11.790 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.932 7.756 -12.938 1.00 0.00 H new ATOM 0 HG SER A 66 2.700 7.207 -13.240 1.00 0.00 H new ATOM 1063 N LEU A 67 5.087 3.826 -12.040 1.00 0.00 N ATOM 1064 CA LEU A 67 4.661 2.458 -11.832 1.00 0.00 C ATOM 1065 C LEU A 67 3.210 2.290 -12.272 1.00 0.00 C ATOM 1066 O LEU A 67 2.860 1.316 -12.937 1.00 0.00 O ATOM 1067 CB LEU A 67 4.827 2.094 -10.363 1.00 0.00 C ATOM 1068 CG LEU A 67 6.151 2.557 -9.743 1.00 0.00 C ATOM 1069 CD1 LEU A 67 6.137 2.382 -8.239 1.00 0.00 C ATOM 1070 CD2 LEU A 67 7.329 1.815 -10.351 1.00 0.00 C ATOM 0 H LEU A 67 5.293 4.342 -11.185 1.00 0.00 H new ATOM 0 HA LEU A 67 5.277 1.788 -12.431 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.003 2.529 -9.798 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.749 1.012 -10.258 1.00 0.00 H new ATOM 0 HG LEU A 67 6.265 3.618 -9.964 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.088 2.718 -7.825 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.326 2.972 -7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.987 1.330 -7.996 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.254 2.164 -9.893 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.216 0.746 -10.173 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.363 2.003 -11.424 1.00 0.00 H new ATOM 1082 N ALA A 68 2.375 3.259 -11.906 1.00 0.00 N ATOM 1083 CA ALA A 68 0.980 3.277 -12.329 1.00 0.00 C ATOM 1084 C ALA A 68 0.865 3.374 -13.846 1.00 0.00 C ATOM 1085 O ALA A 68 -0.038 2.792 -14.443 1.00 0.00 O ATOM 1086 CB ALA A 68 0.245 4.434 -11.674 1.00 0.00 C ATOM 0 H ALA A 68 2.643 4.045 -11.314 1.00 0.00 H new ATOM 0 HA ALA A 68 0.522 2.340 -12.013 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.795 4.435 -11.999 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.286 4.325 -10.590 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.716 5.374 -11.962 1.00 0.00 H new ATOM 1092 N TYR A 69 1.793 4.103 -14.458 1.00 0.00 N ATOM 1093 CA TYR A 69 1.821 4.284 -15.908 1.00 0.00 C ATOM 1094 C TYR A 69 1.855 2.939 -16.632 1.00 0.00 C ATOM 1095 O TYR A 69 1.122 2.729 -17.598 1.00 0.00 O ATOM 1096 CB TYR A 69 3.039 5.131 -16.294 1.00 0.00 C ATOM 1097 CG TYR A 69 3.205 5.377 -17.778 1.00 0.00 C ATOM 1098 CD1 TYR A 69 2.615 6.471 -18.395 1.00 0.00 C ATOM 1099 CD2 TYR A 69 3.971 4.522 -18.558 1.00 0.00 C ATOM 1100 CE1 TYR A 69 2.783 6.703 -19.750 1.00 0.00 C ATOM 1101 CE2 TYR A 69 4.142 4.744 -19.908 1.00 0.00 C ATOM 1102 CZ TYR A 69 3.547 5.836 -20.503 1.00 0.00 C ATOM 1103 OH TYR A 69 3.723 6.067 -21.850 1.00 0.00 O ATOM 0 H TYR A 69 2.546 4.584 -13.966 1.00 0.00 H new ATOM 0 HA TYR A 69 0.910 4.800 -16.212 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.968 6.094 -15.788 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.937 4.640 -15.920 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.015 7.152 -17.809 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.442 3.666 -18.098 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.318 7.559 -20.215 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.740 4.065 -20.497 1.00 0.00 H new ATOM 0 HH TYR A 69 4.288 5.363 -22.231 1.00 0.00 H new ATOM 1113 N TYR A 70 2.699 2.029 -16.158 1.00 0.00 N ATOM 1114 CA TYR A 70 2.810 0.706 -16.770 1.00 0.00 C ATOM 1115 C TYR A 70 1.981 -0.330 -16.022 1.00 0.00 C ATOM 1116 O TYR A 70 2.084 -1.525 -16.295 1.00 0.00 O ATOM 1117 CB TYR A 70 4.270 0.254 -16.838 1.00 0.00 C ATOM 1118 CG TYR A 70 5.019 0.815 -18.022 1.00 0.00 C ATOM 1119 CD1 TYR A 70 4.753 0.366 -19.312 1.00 0.00 C ATOM 1120 CD2 TYR A 70 5.998 1.781 -17.854 1.00 0.00 C ATOM 1121 CE1 TYR A 70 5.441 0.869 -20.398 1.00 0.00 C ATOM 1122 CE2 TYR A 70 6.689 2.289 -18.935 1.00 0.00 C ATOM 1123 CZ TYR A 70 6.408 1.830 -20.203 1.00 0.00 C ATOM 1124 OH TYR A 70 7.099 2.335 -21.279 1.00 0.00 O ATOM 0 H TYR A 70 3.313 2.179 -15.358 1.00 0.00 H new ATOM 0 HA TYR A 70 2.418 0.789 -17.784 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.778 0.554 -15.921 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.304 -0.835 -16.879 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.996 -0.388 -19.466 1.00 0.00 H new ATOM 0 HD2 TYR A 70 6.224 2.142 -16.861 1.00 0.00 H new ATOM 0 HE1 TYR A 70 5.222 0.511 -21.393 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.447 3.044 -18.787 1.00 0.00 H new ATOM 0 HH TYR A 70 7.744 3.004 -20.969 1.00 0.00 H new ATOM 1134 N ASN A 71 1.157 0.141 -15.089 1.00 0.00 N ATOM 1135 CA ASN A 71 0.276 -0.729 -14.305 1.00 0.00 C ATOM 1136 C ASN A 71 1.074 -1.801 -13.562 1.00 0.00 C ATOM 1137 O ASN A 71 0.703 -2.975 -13.572 1.00 0.00 O ATOM 1138 CB ASN A 71 -0.776 -1.396 -15.209 1.00 0.00 C ATOM 1139 CG ASN A 71 -1.716 -0.403 -15.875 1.00 0.00 C ATOM 1140 OD1 ASN A 71 -2.176 -0.627 -16.998 1.00 0.00 O ATOM 1141 ND2 ASN A 71 -2.017 0.690 -15.195 1.00 0.00 N ATOM 0 H ASN A 71 1.079 1.131 -14.854 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.232 -0.104 -13.570 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.267 -1.976 -15.979 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.362 -2.098 -14.616 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.649 1.383 -15.596 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.617 0.841 -14.269 1.00 0.00 H new ATOM 1148 N MET A 72 2.169 -1.397 -12.920 1.00 0.00 N ATOM 1149 CA MET A 72 2.989 -2.330 -12.153 1.00 0.00 C ATOM 1150 C MET A 72 2.254 -2.807 -10.907 1.00 0.00 C ATOM 1151 O MET A 72 2.329 -2.185 -9.848 1.00 0.00 O ATOM 1152 CB MET A 72 4.317 -1.685 -11.753 1.00 0.00 C ATOM 1153 CG MET A 72 5.225 -1.377 -12.927 1.00 0.00 C ATOM 1154 SD MET A 72 6.828 -0.740 -12.408 1.00 0.00 S ATOM 1155 CE MET A 72 7.688 -0.672 -13.974 1.00 0.00 C ATOM 0 H MET A 72 2.507 -0.435 -12.916 1.00 0.00 H new ATOM 0 HA MET A 72 3.192 -3.190 -12.791 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.113 -0.761 -11.211 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.840 -2.349 -11.065 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.371 -2.282 -13.517 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.740 -0.648 -13.576 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.667 -0.213 -13.832 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.814 -1.682 -14.364 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.109 -0.079 -14.682 1.00 0.00 H new ATOM 1165 N ALA A 73 1.518 -3.900 -11.050 1.00 0.00 N ATOM 1166 CA ALA A 73 0.788 -4.487 -9.937 1.00 0.00 C ATOM 1167 C ALA A 73 1.728 -5.277 -9.027 1.00 0.00 C ATOM 1168 O ALA A 73 2.950 -5.233 -9.195 1.00 0.00 O ATOM 1169 CB ALA A 73 -0.331 -5.377 -10.461 1.00 0.00 C ATOM 0 H ALA A 73 1.411 -4.400 -11.932 1.00 0.00 H new ATOM 0 HA ALA A 73 0.348 -3.684 -9.346 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.873 -5.813 -9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.016 -4.782 -11.066 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.094 -6.174 -11.072 1.00 0.00 H new ATOM 1175 N ASN A 74 1.155 -5.991 -8.062 1.00 0.00 N ATOM 1176 CA ASN A 74 1.943 -6.787 -7.133 1.00 0.00 C ATOM 1177 C ASN A 74 2.727 -7.851 -7.885 1.00 0.00 C ATOM 1178 O ASN A 74 2.145 -8.750 -8.497 1.00 0.00 O ATOM 1179 CB ASN A 74 1.041 -7.462 -6.094 1.00 0.00 C ATOM 1180 CG ASN A 74 1.842 -8.145 -5.002 1.00 0.00 C ATOM 1181 OD1 ASN A 74 2.251 -9.299 -5.139 1.00 0.00 O ATOM 1182 ND2 ASN A 74 2.049 -7.447 -3.897 1.00 0.00 N ATOM 0 H ASN A 74 0.148 -6.033 -7.905 1.00 0.00 H new ATOM 0 HA ASN A 74 2.635 -6.119 -6.621 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.382 -6.717 -5.648 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.404 -8.195 -6.589 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.563 -7.862 -3.120 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.694 -6.494 -3.822 1.00 0.00 H new ATOM 1189 N GLY A 75 4.043 -7.743 -7.842 1.00 0.00 N ATOM 1190 CA GLY A 75 4.881 -8.725 -8.483 1.00 0.00 C ATOM 1191 C GLY A 75 5.424 -8.248 -9.813 1.00 0.00 C ATOM 1192 O GLY A 75 5.637 -9.050 -10.724 1.00 0.00 O ATOM 0 H GLY A 75 4.546 -6.990 -7.373 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.712 -8.974 -7.824 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.310 -9.641 -8.635 1.00 0.00 H new ATOM 1196 N ALA A 76 5.651 -6.947 -9.937 1.00 0.00 N ATOM 1197 CA ALA A 76 6.219 -6.396 -11.158 1.00 0.00 C ATOM 1198 C ALA A 76 7.708 -6.713 -11.225 1.00 0.00 C ATOM 1199 O ALA A 76 8.493 -6.247 -10.396 1.00 0.00 O ATOM 1200 CB ALA A 76 5.975 -4.898 -11.220 1.00 0.00 C ATOM 0 H ALA A 76 5.452 -6.258 -9.212 1.00 0.00 H new ATOM 0 HA ALA A 76 5.732 -6.852 -12.020 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.405 -4.497 -12.138 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.903 -4.703 -11.206 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.442 -4.417 -10.361 1.00 0.00 H new ATOM 1206 N VAL A 77 8.089 -7.521 -12.202 1.00 0.00 N ATOM 1207 CA VAL A 77 9.467 -7.958 -12.334 1.00 0.00 C ATOM 1208 C VAL A 77 10.214 -7.099 -13.338 1.00 0.00 C ATOM 1209 O VAL A 77 10.028 -7.227 -14.553 1.00 0.00 O ATOM 1210 CB VAL A 77 9.563 -9.435 -12.771 1.00 0.00 C ATOM 1211 CG1 VAL A 77 11.015 -9.895 -12.804 1.00 0.00 C ATOM 1212 CG2 VAL A 77 8.741 -10.324 -11.854 1.00 0.00 C ATOM 0 H VAL A 77 7.460 -7.888 -12.916 1.00 0.00 H new ATOM 0 HA VAL A 77 9.923 -7.854 -11.349 1.00 0.00 H new ATOM 0 HB VAL A 77 9.156 -9.516 -13.779 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.059 -10.939 -13.115 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.575 -9.282 -13.511 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.452 -9.793 -11.810 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.824 -11.360 -12.182 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.112 -10.235 -10.833 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.696 -10.015 -11.888 1.00 0.00 H new ATOM 1222 N ILE A 78 11.053 -6.215 -12.834 1.00 0.00 N ATOM 1223 CA ILE A 78 11.874 -5.384 -13.691 1.00 0.00 C ATOM 1224 C ILE A 78 13.225 -6.047 -13.872 1.00 0.00 C ATOM 1225 O ILE A 78 13.704 -6.749 -12.989 1.00 0.00 O ATOM 1226 CB ILE A 78 12.090 -3.960 -13.123 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.803 -3.424 -12.491 1.00 0.00 C ATOM 1228 CG2 ILE A 78 12.572 -3.012 -14.213 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.578 -3.583 -13.358 1.00 0.00 C ATOM 0 H ILE A 78 11.184 -6.054 -11.835 1.00 0.00 H new ATOM 0 HA ILE A 78 11.349 -5.281 -14.640 1.00 0.00 H new ATOM 0 HB ILE A 78 12.856 -4.021 -12.350 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.634 -3.938 -11.545 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.937 -2.367 -12.260 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.717 -2.017 -13.792 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.516 -3.375 -14.620 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.828 -2.964 -15.009 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.709 -3.179 -12.838 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.723 -3.045 -14.295 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.416 -4.640 -13.568 1.00 0.00 H new ATOM 1241 N HIS A 79 13.821 -5.844 -15.023 1.00 0.00 N ATOM 1242 CA HIS A 79 15.114 -6.425 -15.330 1.00 0.00 C ATOM 1243 C HIS A 79 16.132 -5.319 -15.438 1.00 0.00 C ATOM 1244 O HIS A 79 15.998 -4.426 -16.276 1.00 0.00 O ATOM 1245 CB HIS A 79 15.079 -7.206 -16.649 1.00 0.00 C ATOM 1246 CG HIS A 79 14.116 -8.350 -16.673 1.00 0.00 C ATOM 1247 ND1 HIS A 79 14.475 -9.631 -17.021 1.00 0.00 N ATOM 1248 CD2 HIS A 79 12.791 -8.387 -16.428 1.00 0.00 C ATOM 1249 CE1 HIS A 79 13.408 -10.408 -16.994 1.00 0.00 C ATOM 1250 NE2 HIS A 79 12.366 -9.675 -16.638 1.00 0.00 N ATOM 0 H HIS A 79 13.428 -5.275 -15.773 1.00 0.00 H new ATOM 0 HA HIS A 79 15.379 -7.118 -14.531 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.825 -6.518 -17.456 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.079 -7.586 -16.857 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.175 -7.554 -16.122 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.389 -11.463 -17.224 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.408 -10.010 -16.537 1.00 0.00 H new ATOM 1259 N LEU A 80 17.122 -5.355 -14.580 1.00 0.00 N ATOM 1260 CA LEU A 80 18.196 -4.391 -14.658 1.00 0.00 C ATOM 1261 C LEU A 80 19.206 -4.849 -15.691 1.00 0.00 C ATOM 1262 O LEU A 80 19.609 -6.015 -15.709 1.00 0.00 O ATOM 1263 CB LEU A 80 18.888 -4.198 -13.308 1.00 0.00 C ATOM 1264 CG LEU A 80 20.143 -3.321 -13.358 1.00 0.00 C ATOM 1265 CD1 LEU A 80 19.817 -1.939 -13.891 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.780 -3.214 -11.990 1.00 0.00 C ATOM 0 H LEU A 80 17.208 -6.035 -13.825 1.00 0.00 H new ATOM 0 HA LEU A 80 17.768 -3.431 -14.948 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.178 -3.755 -12.610 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.159 -5.176 -12.910 1.00 0.00 H new ATOM 0 HG LEU A 80 20.853 -3.795 -14.036 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.724 -1.336 -13.917 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.409 -2.024 -14.898 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.083 -1.462 -13.242 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.669 -2.587 -12.051 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.070 -2.771 -11.292 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.060 -4.208 -11.640 1.00 0.00 H new ATOM 1278 N ALA A 81 19.601 -3.939 -16.553 1.00 0.00 N ATOM 1279 CA ALA A 81 20.550 -4.246 -17.595 1.00 0.00 C ATOM 1280 C ALA A 81 21.396 -3.028 -17.905 1.00 0.00 C ATOM 1281 O ALA A 81 20.933 -1.892 -17.788 1.00 0.00 O ATOM 1282 CB ALA A 81 19.821 -4.729 -18.836 1.00 0.00 C ATOM 0 H ALA A 81 19.275 -2.972 -16.551 1.00 0.00 H new ATOM 0 HA ALA A 81 21.211 -5.043 -17.253 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.545 -4.958 -19.617 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.250 -5.626 -18.596 1.00 0.00 H new ATOM 0 HB3 ALA A 81 19.144 -3.950 -19.186 1.00 0.00 H new ATOM 1288 N LEU A 82 22.642 -3.257 -18.269 1.00 0.00 N ATOM 1289 CA LEU A 82 23.522 -2.168 -18.632 1.00 0.00 C ATOM 1290 C LEU A 82 23.214 -1.708 -20.053 1.00 0.00 C ATOM 1291 O LEU A 82 22.789 -2.502 -20.892 1.00 0.00 O ATOM 1292 CB LEU A 82 24.983 -2.599 -18.506 1.00 0.00 C ATOM 1293 CG LEU A 82 26.005 -1.465 -18.617 1.00 0.00 C ATOM 1294 CD1 LEU A 82 25.783 -0.434 -17.520 1.00 0.00 C ATOM 1295 CD2 LEU A 82 27.413 -2.016 -18.537 1.00 0.00 C ATOM 0 H LEU A 82 23.065 -4.184 -18.321 1.00 0.00 H new ATOM 0 HA LEU A 82 23.356 -1.333 -17.951 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.118 -3.096 -17.545 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.196 -3.337 -19.279 1.00 0.00 H new ATOM 0 HG LEU A 82 25.872 -0.977 -19.583 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.519 0.364 -17.616 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.781 -0.016 -17.611 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.890 -0.911 -16.546 1.00 0.00 H new ATOM 0 HD21 LEU A 82 28.129 -1.198 -18.617 1.00 0.00 H new ATOM 0 HD22 LEU A 82 27.550 -2.526 -17.584 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.575 -2.721 -19.352 1.00 0.00 H new ATOM 1307 N LYS A 83 23.417 -0.422 -20.305 1.00 0.00 N ATOM 1308 CA LYS A 83 23.183 0.177 -21.617 1.00 0.00 C ATOM 1309 C LYS A 83 24.077 -0.458 -22.696 1.00 0.00 C ATOM 1310 O LYS A 83 23.857 -0.259 -23.892 1.00 0.00 O ATOM 1311 CB LYS A 83 23.427 1.687 -21.511 1.00 0.00 C ATOM 1312 CG LYS A 83 23.252 2.458 -22.806 1.00 0.00 C ATOM 1313 CD LYS A 83 23.204 3.953 -22.543 1.00 0.00 C ATOM 1314 CE LYS A 83 21.837 4.383 -22.039 1.00 0.00 C ATOM 1315 NZ LYS A 83 21.761 5.853 -21.831 1.00 0.00 N ATOM 0 H LYS A 83 23.750 0.240 -19.604 1.00 0.00 H new ATOM 0 HA LYS A 83 22.153 -0.008 -21.921 1.00 0.00 H new ATOM 0 HB2 LYS A 83 22.746 2.098 -20.766 1.00 0.00 H new ATOM 0 HB3 LYS A 83 24.439 1.851 -21.142 1.00 0.00 H new ATOM 0 HG2 LYS A 83 24.075 2.230 -23.484 1.00 0.00 H new ATOM 0 HG3 LYS A 83 22.334 2.142 -23.301 1.00 0.00 H new ATOM 0 HD2 LYS A 83 23.965 4.220 -21.809 1.00 0.00 H new ATOM 0 HD3 LYS A 83 23.442 4.493 -23.459 1.00 0.00 H new ATOM 0 HE2 LYS A 83 21.074 4.077 -22.754 1.00 0.00 H new ATOM 0 HE3 LYS A 83 21.618 3.872 -21.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 20.764 6.146 -21.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 22.235 6.102 -20.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 22.231 6.340 -22.621 1.00 0.00 H new ATOM 1329 N GLU A 84 25.082 -1.222 -22.252 1.00 0.00 N ATOM 1330 CA GLU A 84 25.983 -1.962 -23.145 1.00 0.00 C ATOM 1331 C GLU A 84 26.829 -1.028 -24.004 1.00 0.00 C ATOM 1332 O GLU A 84 27.405 -1.446 -25.005 1.00 0.00 O ATOM 1333 CB GLU A 84 25.206 -2.934 -24.044 1.00 0.00 C ATOM 1334 CG GLU A 84 24.523 -4.066 -23.288 1.00 0.00 C ATOM 1335 CD GLU A 84 23.924 -5.111 -24.210 1.00 0.00 C ATOM 1336 OE1 GLU A 84 24.656 -6.041 -24.616 1.00 0.00 O ATOM 1337 OE2 GLU A 84 22.718 -5.017 -24.528 1.00 0.00 O ATOM 0 H GLU A 84 25.294 -1.345 -21.262 1.00 0.00 H new ATOM 0 HA GLU A 84 26.653 -2.535 -22.504 1.00 0.00 H new ATOM 0 HB2 GLU A 84 24.453 -2.376 -24.600 1.00 0.00 H new ATOM 0 HB3 GLU A 84 25.891 -3.361 -24.777 1.00 0.00 H new ATOM 0 HG2 GLU A 84 25.246 -4.543 -22.627 1.00 0.00 H new ATOM 0 HG3 GLU A 84 23.737 -3.652 -22.656 1.00 0.00 H new ATOM 1344 N ARG A 85 26.921 0.230 -23.601 1.00 0.00 N ATOM 1345 CA ARG A 85 27.740 1.193 -24.316 1.00 0.00 C ATOM 1346 C ARG A 85 29.199 1.054 -23.895 1.00 0.00 C ATOM 1347 O ARG A 85 30.105 1.086 -24.728 1.00 0.00 O ATOM 1348 CB ARG A 85 27.245 2.616 -24.050 1.00 0.00 C ATOM 1349 CG ARG A 85 28.001 3.691 -24.825 1.00 0.00 C ATOM 1350 CD ARG A 85 27.706 3.643 -26.322 1.00 0.00 C ATOM 1351 NE ARG A 85 28.277 2.468 -26.979 1.00 0.00 N ATOM 1352 CZ ARG A 85 28.152 2.218 -28.280 1.00 0.00 C ATOM 1353 NH1 ARG A 85 27.436 3.024 -29.054 1.00 0.00 N ATOM 1354 NH2 ARG A 85 28.714 1.139 -28.801 1.00 0.00 N ATOM 0 H ARG A 85 26.439 0.606 -22.784 1.00 0.00 H new ATOM 0 HA ARG A 85 27.661 0.994 -25.385 1.00 0.00 H new ATOM 0 HB2 ARG A 85 26.187 2.675 -24.305 1.00 0.00 H new ATOM 0 HB3 ARG A 85 27.328 2.825 -22.984 1.00 0.00 H new ATOM 0 HG2 ARG A 85 27.732 4.673 -24.436 1.00 0.00 H new ATOM 0 HG3 ARG A 85 29.072 3.566 -24.664 1.00 0.00 H new ATOM 0 HD2 ARG A 85 26.627 3.649 -26.475 1.00 0.00 H new ATOM 0 HD3 ARG A 85 28.100 4.543 -26.793 1.00 0.00 H new ATOM 0 HE ARG A 85 28.800 1.803 -26.409 1.00 0.00 H new ATOM 0 HH11 ARG A 85 26.977 3.842 -28.652 1.00 0.00 H new ATOM 0 HH12 ARG A 85 27.345 2.826 -30.050 1.00 0.00 H new ATOM 0 HH21 ARG A 85 29.242 0.501 -28.206 1.00 0.00 H new ATOM 0 HH22 ARG A 85 28.619 0.946 -29.798 1.00 0.00 H new ATOM 1368 N GLY A 86 29.408 0.889 -22.597 1.00 0.00 N ATOM 1369 CA GLY A 86 30.742 0.743 -22.062 1.00 0.00 C ATOM 1370 C GLY A 86 30.718 0.701 -20.554 1.00 0.00 C ATOM 1371 O GLY A 86 29.784 1.286 -19.965 1.00 0.00 O ATOM 1372 OXT GLY A 86 31.618 0.084 -19.950 1.00 0.00 O ATOM 0 H GLY A 86 28.665 0.854 -21.899 1.00 0.00 H new ATOM 0 HA2 GLY A 86 31.194 -0.171 -22.448 1.00 0.00 H new ATOM 0 HA3 GLY A 86 31.365 1.573 -22.396 1.00 0.00 H new TER 1376 GLY A 86