USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 871 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 98 GLN : amide:sc= -3.04 K(o=-2,f=-2.6) USER MOD Set 1.2: A 100 SER OG : rot 20:sc= 1.05 USER MOD Set 2.1: A 68 LYS NZ :NH3+ -165:sc=-0.00627 (180deg=-0.161) USER MOD Set 2.2: A 72 TYR OH : rot 30:sc= -0.876 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0813 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00234 USER MOD Single : A 5 SER OG : rot 42:sc= 0.568 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -176:sc= 0 (180deg=-0.0212) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 13:sc= -2.59! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0662 X(o=-0.066,f=-0.066) USER MOD Single : A 16 GLN : amide:sc= -0.0451 X(o=-0.045,f=-0.039) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -154:sc= 0.413 (180deg=0.215) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.814 K(o=0.81,f=-1.4!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.227 USER MOD Single : A 42 GLN : amide:sc= -0.239 K(o=-0.24,f=-2.2!) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 46 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.816 X(o=-0.82,f=-0.46) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.105 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 60 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0162) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0238 K(o=-0.024,f=-0.7) USER MOD Single : A 64 SER OG : rot 69:sc= 1.22 USER MOD Single : A 69 CYS SG : rot 180:sc= -2.63! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -162:sc= -0.211 (180deg=-0.798) USER MOD Single : A 85 ASN : amide:sc= -5.77! C(o=-5.8!,f=-6.1!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -141:sc= -0.268 (180deg=-1.27) USER MOD Single : A 91 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.54) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 148:sc= -0.829 (180deg=-2.39!) USER MOD Single : A 105 LYS NZ :NH3+ -109:sc= -1.47 (180deg=-3.9!) USER MOD Single : A 107 ASN : amide:sc= -0.301 K(o=-0.3,f=-1.9) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 17:sc= 0.29! USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.295 14.767 16.902 1.00 0.00 N ATOM 2 CA GLY A 1 3.042 14.398 16.270 1.00 0.00 C ATOM 3 C GLY A 1 2.770 15.199 15.012 1.00 0.00 C ATOM 4 O GLY A 1 3.643 15.915 14.523 1.00 0.00 O ATOM 0 H1 GLY A 1 4.951 13.961 16.868 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.713 15.575 16.399 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.120 15.029 17.893 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.061 13.336 16.024 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.225 14.547 16.976 1.00 0.00 H new ATOM 8 N SER A 2 1.556 15.077 14.486 1.00 0.00 N ATOM 9 CA SER A 2 1.172 15.791 13.274 1.00 0.00 C ATOM 10 C SER A 2 0.836 17.247 13.584 1.00 0.00 C ATOM 11 O SER A 2 1.468 18.166 13.064 1.00 0.00 O ATOM 12 CB SER A 2 -0.026 15.109 12.612 1.00 0.00 C ATOM 13 OG SER A 2 -0.006 15.292 11.207 1.00 0.00 O ATOM 0 H SER A 2 0.821 14.490 14.880 1.00 0.00 H new ATOM 0 HA SER A 2 2.018 15.770 12.587 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.015 14.044 12.843 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.951 15.515 13.021 1.00 0.00 H new ATOM 0 HG SER A 2 -0.781 14.845 10.808 1.00 0.00 H new ATOM 19 N SER A 3 -0.165 17.447 14.435 1.00 0.00 N ATOM 20 CA SER A 3 -0.589 18.790 14.813 1.00 0.00 C ATOM 21 C SER A 3 0.120 19.247 16.084 1.00 0.00 C ATOM 22 O SER A 3 0.691 18.438 16.815 1.00 0.00 O ATOM 23 CB SER A 3 -2.105 18.830 15.019 1.00 0.00 C ATOM 24 OG SER A 3 -2.526 17.810 15.907 1.00 0.00 O ATOM 0 H SER A 3 -0.697 16.697 14.876 1.00 0.00 H new ATOM 0 HA SER A 3 -0.321 19.470 14.004 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.396 19.803 15.414 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.609 18.712 14.060 1.00 0.00 H new ATOM 0 HG SER A 3 -3.498 17.858 16.023 1.00 0.00 H new ATOM 30 N GLY A 4 0.079 20.551 16.342 1.00 0.00 N ATOM 31 CA GLY A 4 0.722 21.094 17.524 1.00 0.00 C ATOM 32 C GLY A 4 -0.066 20.820 18.790 1.00 0.00 C ATOM 33 O GLY A 4 -0.448 19.681 19.056 1.00 0.00 O ATOM 0 H GLY A 4 -0.388 21.241 15.753 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.720 20.665 17.621 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.848 22.170 17.404 1.00 0.00 H new ATOM 37 N SER A 5 -0.309 21.867 19.572 1.00 0.00 N ATOM 38 CA SER A 5 -1.052 21.733 20.820 1.00 0.00 C ATOM 39 C SER A 5 -2.257 22.668 20.837 1.00 0.00 C ATOM 40 O SER A 5 -2.109 23.890 20.812 1.00 0.00 O ATOM 41 CB SER A 5 -0.143 22.031 22.014 1.00 0.00 C ATOM 42 OG SER A 5 0.358 23.355 21.955 1.00 0.00 O ATOM 0 H SER A 5 -0.002 22.817 19.364 1.00 0.00 H new ATOM 0 HA SER A 5 -1.410 20.706 20.893 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.698 21.890 22.942 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.687 21.325 22.028 1.00 0.00 H new ATOM 0 HG SER A 5 -0.357 23.963 21.672 1.00 0.00 H new ATOM 48 N SER A 6 -3.451 22.084 20.880 1.00 0.00 N ATOM 49 CA SER A 6 -4.683 22.864 20.898 1.00 0.00 C ATOM 50 C SER A 6 -4.770 23.770 19.673 1.00 0.00 C ATOM 51 O SER A 6 -5.183 24.924 19.769 1.00 0.00 O ATOM 52 CB SER A 6 -4.762 23.704 22.174 1.00 0.00 C ATOM 53 OG SER A 6 -5.093 22.901 23.293 1.00 0.00 O ATOM 0 H SER A 6 -3.591 21.074 20.903 1.00 0.00 H new ATOM 0 HA SER A 6 -5.523 22.170 20.876 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.806 24.199 22.347 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.509 24.488 22.051 1.00 0.00 H new ATOM 0 HG SER A 6 -5.136 23.461 24.096 1.00 0.00 H new ATOM 59 N GLY A 7 -4.376 23.236 18.520 1.00 0.00 N ATOM 60 CA GLY A 7 -4.416 24.008 17.293 1.00 0.00 C ATOM 61 C GLY A 7 -5.218 23.324 16.203 1.00 0.00 C ATOM 62 O GLY A 7 -4.728 23.132 15.091 1.00 0.00 O ATOM 0 H GLY A 7 -4.030 22.282 18.415 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.848 24.987 17.498 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.399 24.176 16.940 1.00 0.00 H new ATOM 66 N MET A 8 -6.453 22.953 16.524 1.00 0.00 N ATOM 67 CA MET A 8 -7.324 22.285 15.563 1.00 0.00 C ATOM 68 C MET A 8 -8.099 23.304 14.733 1.00 0.00 C ATOM 69 O MET A 8 -9.298 23.146 14.501 1.00 0.00 O ATOM 70 CB MET A 8 -8.298 21.353 16.287 1.00 0.00 C ATOM 71 CG MET A 8 -9.242 22.077 17.233 1.00 0.00 C ATOM 72 SD MET A 8 -10.186 20.946 18.273 1.00 0.00 S ATOM 73 CE MET A 8 -11.342 20.274 17.081 1.00 0.00 C ATOM 0 H MET A 8 -6.873 23.103 17.441 1.00 0.00 H new ATOM 0 HA MET A 8 -6.699 21.695 14.892 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.885 20.809 15.547 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.729 20.613 16.850 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.668 22.753 17.866 1.00 0.00 H new ATOM 0 HG3 MET A 8 -9.931 22.692 16.653 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.042 19.610 17.588 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.892 21.088 16.608 1.00 0.00 H new ATOM 0 HE3 MET A 8 -10.797 19.715 16.321 1.00 0.00 H new ATOM 83 N SER A 9 -7.407 24.347 14.287 1.00 0.00 N ATOM 84 CA SER A 9 -8.031 25.393 13.486 1.00 0.00 C ATOM 85 C SER A 9 -8.568 24.826 12.175 1.00 0.00 C ATOM 86 O SER A 9 -9.759 24.929 11.883 1.00 0.00 O ATOM 87 CB SER A 9 -7.028 26.512 13.197 1.00 0.00 C ATOM 88 OG SER A 9 -6.410 26.962 14.390 1.00 0.00 O ATOM 0 H SER A 9 -6.413 24.490 14.467 1.00 0.00 H new ATOM 0 HA SER A 9 -8.866 25.801 14.055 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.268 26.153 12.503 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.537 27.344 12.711 1.00 0.00 H new ATOM 0 HG SER A 9 -5.772 27.676 14.179 1.00 0.00 H new ATOM 94 N SER A 10 -7.679 24.226 11.389 1.00 0.00 N ATOM 95 CA SER A 10 -8.061 23.645 10.108 1.00 0.00 C ATOM 96 C SER A 10 -6.948 22.757 9.560 1.00 0.00 C ATOM 97 O SER A 10 -5.827 22.761 10.070 1.00 0.00 O ATOM 98 CB SER A 10 -8.391 24.749 9.101 1.00 0.00 C ATOM 99 OG SER A 10 -7.248 25.539 8.819 1.00 0.00 O ATOM 0 H SER A 10 -6.690 24.130 11.617 1.00 0.00 H new ATOM 0 HA SER A 10 -8.947 23.030 10.266 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.767 24.305 8.179 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.186 25.381 9.497 1.00 0.00 H new ATOM 0 HG SER A 10 -7.484 26.236 8.172 1.00 0.00 H new ATOM 105 N THR A 11 -7.265 21.996 8.517 1.00 0.00 N ATOM 106 CA THR A 11 -6.294 21.102 7.899 1.00 0.00 C ATOM 107 C THR A 11 -6.849 20.486 6.620 1.00 0.00 C ATOM 108 O THR A 11 -7.933 19.903 6.621 1.00 0.00 O ATOM 109 CB THR A 11 -5.879 19.973 8.861 1.00 0.00 C ATOM 110 OG1 THR A 11 -4.739 19.280 8.341 1.00 0.00 O ATOM 111 CG2 THR A 11 -7.023 18.993 9.071 1.00 0.00 C ATOM 0 H THR A 11 -8.188 21.981 8.082 1.00 0.00 H new ATOM 0 HA THR A 11 -5.418 21.705 7.658 1.00 0.00 H new ATOM 0 HB THR A 11 -5.624 20.420 9.822 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.351 19.796 7.604 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.706 18.205 9.754 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.879 19.518 9.495 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.305 18.553 8.115 1.00 0.00 H new ATOM 119 N SER A 12 -6.099 20.620 5.531 1.00 0.00 N ATOM 120 CA SER A 12 -6.518 20.078 4.243 1.00 0.00 C ATOM 121 C SER A 12 -7.155 18.702 4.414 1.00 0.00 C ATOM 122 O SER A 12 -6.835 17.952 5.336 1.00 0.00 O ATOM 123 CB SER A 12 -5.324 19.986 3.292 1.00 0.00 C ATOM 124 OG SER A 12 -5.062 21.237 2.679 1.00 0.00 O ATOM 0 H SER A 12 -5.199 21.099 5.514 1.00 0.00 H new ATOM 0 HA SER A 12 -7.261 20.752 3.817 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.443 19.655 3.841 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.522 19.237 2.526 1.00 0.00 H new ATOM 0 HG SER A 12 -4.293 21.152 2.077 1.00 0.00 H new ATOM 130 N PRO A 13 -8.079 18.361 3.504 1.00 0.00 N ATOM 131 CA PRO A 13 -8.780 17.074 3.530 1.00 0.00 C ATOM 132 C PRO A 13 -7.863 15.907 3.180 1.00 0.00 C ATOM 133 O PRO A 13 -8.033 14.799 3.686 1.00 0.00 O ATOM 134 CB PRO A 13 -9.866 17.240 2.464 1.00 0.00 C ATOM 135 CG PRO A 13 -9.328 18.270 1.532 1.00 0.00 C ATOM 136 CD PRO A 13 -8.510 19.207 2.377 1.00 0.00 C ATOM 0 HA PRO A 13 -9.169 16.842 4.521 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.060 16.300 1.947 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.809 17.560 2.906 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.717 17.812 0.755 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.136 18.802 1.030 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.659 19.606 1.826 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.098 20.060 2.716 1.00 0.00 H new ATOM 144 N ASN A 14 -6.891 16.165 2.312 1.00 0.00 N ATOM 145 CA ASN A 14 -5.947 15.135 1.894 1.00 0.00 C ATOM 146 C ASN A 14 -5.117 14.645 3.077 1.00 0.00 C ATOM 147 O ASN A 14 -4.825 13.454 3.194 1.00 0.00 O ATOM 148 CB ASN A 14 -5.024 15.673 0.798 1.00 0.00 C ATOM 149 CG ASN A 14 -5.792 16.321 -0.337 1.00 0.00 C ATOM 150 OD1 ASN A 14 -5.719 17.533 -0.539 1.00 0.00 O ATOM 151 ND2 ASN A 14 -6.535 15.514 -1.085 1.00 0.00 N ATOM 0 H ASN A 14 -6.736 17.078 1.884 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.517 14.294 1.499 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.337 16.400 1.230 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.418 14.857 0.404 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.075 15.893 -1.863 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.566 14.515 -0.882 1.00 0.00 H new ATOM 158 N LEU A 15 -4.741 15.571 3.952 1.00 0.00 N ATOM 159 CA LEU A 15 -3.946 15.234 5.128 1.00 0.00 C ATOM 160 C LEU A 15 -4.785 14.484 6.157 1.00 0.00 C ATOM 161 O LEU A 15 -4.512 13.325 6.469 1.00 0.00 O ATOM 162 CB LEU A 15 -3.363 16.502 5.755 1.00 0.00 C ATOM 163 CG LEU A 15 -2.617 16.316 7.076 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.408 15.413 6.884 1.00 0.00 C ATOM 165 CD2 LEU A 15 -2.195 17.663 7.644 1.00 0.00 C ATOM 0 H LEU A 15 -4.974 16.561 3.870 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.130 14.585 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.681 16.958 5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.176 17.210 5.917 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.291 15.839 7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.889 15.292 7.835 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.736 14.438 6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.731 15.861 6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.665 17.511 8.584 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.539 18.167 6.935 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.079 18.277 7.820 1.00 0.00 H new ATOM 177 N GLN A 16 -5.809 15.152 6.678 1.00 0.00 N ATOM 178 CA GLN A 16 -6.689 14.547 7.671 1.00 0.00 C ATOM 179 C GLN A 16 -6.931 13.074 7.359 1.00 0.00 C ATOM 180 O GLN A 16 -6.973 12.236 8.259 1.00 0.00 O ATOM 181 CB GLN A 16 -8.022 15.295 7.724 1.00 0.00 C ATOM 182 CG GLN A 16 -8.914 14.868 8.879 1.00 0.00 C ATOM 183 CD GLN A 16 -8.386 15.325 10.224 1.00 0.00 C ATOM 184 OE1 GLN A 16 -8.628 16.456 10.647 1.00 0.00 O ATOM 185 NE2 GLN A 16 -7.660 14.447 10.906 1.00 0.00 N ATOM 0 H GLN A 16 -6.050 16.111 6.429 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.201 14.618 8.643 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.826 16.364 7.803 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.555 15.137 6.786 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.915 15.273 8.729 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.007 13.782 8.879 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.484 13.520 10.518 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.279 14.699 11.818 1.00 0.00 H new ATOM 194 N LYS A 17 -7.091 12.765 6.076 1.00 0.00 N ATOM 195 CA LYS A 17 -7.328 11.393 5.643 1.00 0.00 C ATOM 196 C LYS A 17 -6.128 10.507 5.963 1.00 0.00 C ATOM 197 O LYS A 17 -6.285 9.376 6.423 1.00 0.00 O ATOM 198 CB LYS A 17 -7.618 11.353 4.141 1.00 0.00 C ATOM 199 CG LYS A 17 -7.840 9.951 3.601 1.00 0.00 C ATOM 200 CD LYS A 17 -8.786 9.954 2.413 1.00 0.00 C ATOM 201 CE LYS A 17 -9.551 8.643 2.306 1.00 0.00 C ATOM 202 NZ LYS A 17 -10.724 8.608 3.223 1.00 0.00 N ATOM 0 H LYS A 17 -7.061 13.447 5.318 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.194 11.012 6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.501 11.957 3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.786 11.811 3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.884 9.519 3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.246 9.317 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.490 10.780 2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.220 10.122 1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.889 8.502 1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.884 7.813 2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.218 7.699 3.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.400 8.717 4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.374 9.384 2.985 1.00 0.00 H new ATOM 216 N ALA A 18 -4.931 11.028 5.719 1.00 0.00 N ATOM 217 CA ALA A 18 -3.705 10.285 5.984 1.00 0.00 C ATOM 218 C ALA A 18 -3.635 9.844 7.442 1.00 0.00 C ATOM 219 O ALA A 18 -3.247 8.714 7.741 1.00 0.00 O ATOM 220 CB ALA A 18 -2.489 11.127 5.627 1.00 0.00 C ATOM 0 H ALA A 18 -4.783 11.963 5.338 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.710 9.391 5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.581 10.559 5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.525 11.388 4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.489 12.038 6.226 1.00 0.00 H new ATOM 226 N ILE A 19 -4.013 10.742 8.346 1.00 0.00 N ATOM 227 CA ILE A 19 -3.994 10.444 9.773 1.00 0.00 C ATOM 228 C ILE A 19 -4.922 9.281 10.104 1.00 0.00 C ATOM 229 O ILE A 19 -4.484 8.248 10.609 1.00 0.00 O ATOM 230 CB ILE A 19 -4.405 11.670 10.609 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.390 12.801 10.431 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.532 11.291 12.077 1.00 0.00 C ATOM 233 CD1 ILE A 19 -3.711 13.725 9.277 1.00 0.00 C ATOM 0 H ILE A 19 -4.336 11.682 8.116 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.970 10.170 10.025 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.376 12.021 10.259 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.343 13.384 11.351 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.401 12.370 10.276 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.823 12.168 12.655 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.289 10.515 12.188 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.575 10.918 12.441 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.950 14.502 9.211 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.729 13.155 8.348 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.686 14.185 9.439 1.00 0.00 H new ATOM 245 N ASP A 20 -6.207 9.457 9.816 1.00 0.00 N ATOM 246 CA ASP A 20 -7.199 8.421 10.081 1.00 0.00 C ATOM 247 C ASP A 20 -6.764 7.087 9.482 1.00 0.00 C ATOM 248 O ASP A 20 -6.736 6.065 10.170 1.00 0.00 O ATOM 249 CB ASP A 20 -8.559 8.829 9.513 1.00 0.00 C ATOM 250 CG ASP A 20 -9.714 8.247 10.302 1.00 0.00 C ATOM 251 OD1 ASP A 20 -9.880 7.010 10.286 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.454 9.029 10.936 1.00 0.00 O ATOM 0 H ASP A 20 -6.586 10.307 9.399 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.286 8.304 11.161 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.637 9.916 9.509 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.629 8.501 8.476 1.00 0.00 H new ATOM 257 N LEU A 21 -6.425 7.103 8.198 1.00 0.00 N ATOM 258 CA LEU A 21 -5.992 5.894 7.505 1.00 0.00 C ATOM 259 C LEU A 21 -4.891 5.184 8.287 1.00 0.00 C ATOM 260 O LEU A 21 -5.034 4.020 8.661 1.00 0.00 O ATOM 261 CB LEU A 21 -5.495 6.237 6.100 1.00 0.00 C ATOM 262 CG LEU A 21 -6.574 6.585 5.073 1.00 0.00 C ATOM 263 CD1 LEU A 21 -5.946 7.167 3.816 1.00 0.00 C ATOM 264 CD2 LEU A 21 -7.405 5.356 4.736 1.00 0.00 C ATOM 0 H LEU A 21 -6.441 7.940 7.615 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.848 5.224 7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.808 7.080 6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.922 5.390 5.722 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.233 7.337 5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.729 7.409 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.395 8.072 4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.264 6.438 3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.168 5.622 4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.759 4.582 4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.885 4.982 5.640 1.00 0.00 H new ATOM 276 N ALA A 22 -3.794 5.893 8.531 1.00 0.00 N ATOM 277 CA ALA A 22 -2.671 5.332 9.271 1.00 0.00 C ATOM 278 C ALA A 22 -3.120 4.796 10.627 1.00 0.00 C ATOM 279 O ALA A 22 -2.604 3.787 11.107 1.00 0.00 O ATOM 280 CB ALA A 22 -1.581 6.379 9.450 1.00 0.00 C ATOM 0 H ALA A 22 -3.659 6.857 8.227 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.268 4.499 8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.748 5.946 10.004 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.232 6.712 8.472 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.981 7.230 10.002 1.00 0.00 H new ATOM 286 N SER A 23 -4.083 5.478 11.238 1.00 0.00 N ATOM 287 CA SER A 23 -4.597 5.073 12.541 1.00 0.00 C ATOM 288 C SER A 23 -5.327 3.736 12.445 1.00 0.00 C ATOM 289 O SER A 23 -5.108 2.836 13.257 1.00 0.00 O ATOM 290 CB SER A 23 -5.541 6.142 13.096 1.00 0.00 C ATOM 291 OG SER A 23 -5.708 5.998 14.495 1.00 0.00 O ATOM 0 H SER A 23 -4.523 6.313 10.852 1.00 0.00 H new ATOM 0 HA SER A 23 -3.750 4.959 13.218 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.144 7.133 12.874 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.510 6.068 12.602 1.00 0.00 H new ATOM 0 HG SER A 23 -6.314 6.694 14.825 1.00 0.00 H new ATOM 297 N LYS A 24 -6.194 3.613 11.446 1.00 0.00 N ATOM 298 CA LYS A 24 -6.956 2.387 11.241 1.00 0.00 C ATOM 299 C LYS A 24 -6.026 1.195 11.044 1.00 0.00 C ATOM 300 O LYS A 24 -6.252 0.121 11.600 1.00 0.00 O ATOM 301 CB LYS A 24 -7.879 2.533 10.029 1.00 0.00 C ATOM 302 CG LYS A 24 -9.129 1.674 10.109 1.00 0.00 C ATOM 303 CD LYS A 24 -10.064 1.940 8.941 1.00 0.00 C ATOM 304 CE LYS A 24 -11.337 1.114 9.047 1.00 0.00 C ATOM 305 NZ LYS A 24 -11.163 -0.250 8.474 1.00 0.00 N ATOM 0 H LYS A 24 -6.387 4.348 10.765 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.560 2.211 12.131 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.172 3.578 9.930 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.325 2.271 9.128 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.848 0.621 10.119 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.649 1.874 11.046 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.318 3.000 8.911 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.555 1.707 8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.631 1.033 10.093 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.146 1.626 8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.085 -0.614 8.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.512 -0.206 7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.770 -0.884 9.199 1.00 0.00 H new ATOM 319 N ALA A 25 -4.978 1.392 10.250 1.00 0.00 N ATOM 320 CA ALA A 25 -4.012 0.334 9.983 1.00 0.00 C ATOM 321 C ALA A 25 -3.597 -0.369 11.271 1.00 0.00 C ATOM 322 O ALA A 25 -3.591 -1.597 11.345 1.00 0.00 O ATOM 323 CB ALA A 25 -2.792 0.901 9.272 1.00 0.00 C ATOM 0 H ALA A 25 -4.777 2.275 9.781 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.487 -0.403 9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.079 0.100 9.079 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.098 1.350 8.327 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.325 1.659 9.900 1.00 0.00 H new ATOM 329 N ALA A 26 -3.251 0.419 12.284 1.00 0.00 N ATOM 330 CA ALA A 26 -2.836 -0.128 13.570 1.00 0.00 C ATOM 331 C ALA A 26 -3.956 -0.943 14.207 1.00 0.00 C ATOM 332 O ALA A 26 -3.736 -2.063 14.667 1.00 0.00 O ATOM 333 CB ALA A 26 -2.398 0.991 14.503 1.00 0.00 C ATOM 0 H ALA A 26 -3.250 1.438 12.239 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.991 -0.794 13.398 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.091 0.568 15.459 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.561 1.529 14.058 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.228 1.679 14.661 1.00 0.00 H new ATOM 339 N GLN A 27 -5.157 -0.373 14.230 1.00 0.00 N ATOM 340 CA GLN A 27 -6.311 -1.047 14.812 1.00 0.00 C ATOM 341 C GLN A 27 -6.467 -2.452 14.239 1.00 0.00 C ATOM 342 O GLN A 27 -6.578 -3.426 14.983 1.00 0.00 O ATOM 343 CB GLN A 27 -7.583 -0.236 14.560 1.00 0.00 C ATOM 344 CG GLN A 27 -7.587 1.119 15.249 1.00 0.00 C ATOM 345 CD GLN A 27 -8.175 1.062 16.645 1.00 0.00 C ATOM 346 OE1 GLN A 27 -9.391 0.972 16.816 1.00 0.00 O ATOM 347 NE2 GLN A 27 -7.312 1.115 17.654 1.00 0.00 N ATOM 0 H GLN A 27 -5.356 0.553 13.852 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.148 -1.129 15.887 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.703 -0.089 13.487 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.444 -0.811 14.902 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.566 1.497 15.304 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.157 1.827 14.647 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.312 1.189 17.467 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.649 1.081 18.616 1.00 0.00 H new ATOM 356 N GLU A 28 -6.476 -2.547 12.913 1.00 0.00 N ATOM 357 CA GLU A 28 -6.620 -3.833 12.242 1.00 0.00 C ATOM 358 C GLU A 28 -5.512 -4.794 12.662 1.00 0.00 C ATOM 359 O GLU A 28 -5.779 -5.900 13.131 1.00 0.00 O ATOM 360 CB GLU A 28 -6.600 -3.646 10.723 1.00 0.00 C ATOM 361 CG GLU A 28 -7.683 -2.711 10.210 1.00 0.00 C ATOM 362 CD GLU A 28 -9.037 -3.386 10.114 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.102 -4.619 10.304 1.00 0.00 O ATOM 364 OE2 GLU A 28 -10.033 -2.681 9.847 1.00 0.00 O ATOM 0 H GLU A 28 -6.385 -1.750 12.283 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.578 -4.261 12.536 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.626 -3.257 10.426 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.715 -4.618 10.244 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.757 -1.848 10.872 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.398 -2.335 9.227 1.00 0.00 H new ATOM 371 N ASP A 29 -4.267 -4.363 12.488 1.00 0.00 N ATOM 372 CA ASP A 29 -3.117 -5.184 12.849 1.00 0.00 C ATOM 373 C ASP A 29 -3.288 -5.776 14.245 1.00 0.00 C ATOM 374 O ASP A 29 -3.025 -6.958 14.466 1.00 0.00 O ATOM 375 CB ASP A 29 -1.833 -4.355 12.788 1.00 0.00 C ATOM 376 CG ASP A 29 -0.587 -5.218 12.774 1.00 0.00 C ATOM 377 OD1 ASP A 29 -0.497 -6.144 13.608 1.00 0.00 O ATOM 378 OD2 ASP A 29 0.300 -4.968 11.931 1.00 0.00 O ATOM 0 H ASP A 29 -4.029 -3.450 12.099 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.047 -6.003 12.133 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.849 -3.731 11.895 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.797 -3.683 13.646 1.00 0.00 H new ATOM 383 N LYS A 30 -3.731 -4.947 15.184 1.00 0.00 N ATOM 384 CA LYS A 30 -3.939 -5.387 16.558 1.00 0.00 C ATOM 385 C LYS A 30 -4.997 -6.484 16.624 1.00 0.00 C ATOM 386 O LYS A 30 -4.795 -7.517 17.261 1.00 0.00 O ATOM 387 CB LYS A 30 -4.358 -4.206 17.436 1.00 0.00 C ATOM 388 CG LYS A 30 -3.964 -4.363 18.895 1.00 0.00 C ATOM 389 CD LYS A 30 -3.726 -3.016 19.556 1.00 0.00 C ATOM 390 CE LYS A 30 -2.275 -2.579 19.424 1.00 0.00 C ATOM 391 NZ LYS A 30 -1.443 -3.068 20.558 1.00 0.00 N ATOM 0 H LYS A 30 -3.953 -3.965 15.018 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.998 -5.792 16.930 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.908 -3.294 17.043 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.439 -4.082 17.372 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.749 -4.898 19.429 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.061 -4.969 18.966 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.375 -2.267 19.102 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.995 -3.074 20.611 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.867 -2.954 18.486 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.226 -1.491 19.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.461 -2.749 20.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.817 -2.689 21.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.469 -4.107 20.585 1.00 0.00 H new ATOM 405 N ALA A 31 -6.126 -6.251 15.961 1.00 0.00 N ATOM 406 CA ALA A 31 -7.214 -7.221 15.942 1.00 0.00 C ATOM 407 C ALA A 31 -6.772 -8.530 15.298 1.00 0.00 C ATOM 408 O ALA A 31 -7.266 -9.602 15.645 1.00 0.00 O ATOM 409 CB ALA A 31 -8.418 -6.649 15.208 1.00 0.00 C ATOM 0 H ALA A 31 -6.310 -5.399 15.431 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.497 -7.432 16.973 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.223 -7.384 15.201 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.756 -5.745 15.714 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.138 -6.408 14.182 1.00 0.00 H new ATOM 415 N GLY A 32 -5.837 -8.435 14.357 1.00 0.00 N ATOM 416 CA GLY A 32 -5.345 -9.620 13.678 1.00 0.00 C ATOM 417 C GLY A 32 -5.480 -9.523 12.171 1.00 0.00 C ATOM 418 O GLY A 32 -5.364 -10.524 11.466 1.00 0.00 O ATOM 0 H GLY A 32 -5.412 -7.559 14.053 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.297 -9.775 13.937 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.893 -10.493 14.033 1.00 0.00 H new ATOM 422 N ASN A 33 -5.728 -8.314 11.677 1.00 0.00 N ATOM 423 CA ASN A 33 -5.882 -8.091 10.244 1.00 0.00 C ATOM 424 C ASN A 33 -4.620 -7.473 9.652 1.00 0.00 C ATOM 425 O ASN A 33 -4.354 -6.284 9.833 1.00 0.00 O ATOM 426 CB ASN A 33 -7.084 -7.183 9.975 1.00 0.00 C ATOM 427 CG ASN A 33 -8.379 -7.961 9.843 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.391 -9.089 9.350 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.477 -7.360 10.286 1.00 0.00 N ATOM 0 H ASN A 33 -5.827 -7.474 12.248 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.051 -9.056 9.766 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.179 -6.461 10.786 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.910 -6.615 9.061 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.378 -7.834 10.225 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.419 -6.424 10.687 1.00 0.00 H new ATOM 436 N TYR A 34 -3.846 -8.287 8.943 1.00 0.00 N ATOM 437 CA TYR A 34 -2.610 -7.821 8.325 1.00 0.00 C ATOM 438 C TYR A 34 -2.874 -7.276 6.924 1.00 0.00 C ATOM 439 O TYR A 34 -2.339 -6.237 6.540 1.00 0.00 O ATOM 440 CB TYR A 34 -1.588 -8.957 8.258 1.00 0.00 C ATOM 441 CG TYR A 34 -0.905 -9.235 9.579 1.00 0.00 C ATOM 442 CD1 TYR A 34 -1.560 -9.008 10.783 1.00 0.00 C ATOM 443 CD2 TYR A 34 0.395 -9.723 9.622 1.00 0.00 C ATOM 444 CE1 TYR A 34 -0.940 -9.259 11.992 1.00 0.00 C ATOM 445 CE2 TYR A 34 1.022 -9.979 10.826 1.00 0.00 C ATOM 446 CZ TYR A 34 0.350 -9.745 12.008 1.00 0.00 C ATOM 447 OH TYR A 34 0.972 -9.998 13.209 1.00 0.00 O ATOM 0 H TYR A 34 -4.052 -9.273 8.782 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.208 -7.016 8.939 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.087 -9.864 7.919 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.832 -8.711 7.512 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.571 -8.629 10.774 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.924 -9.905 8.698 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.463 -9.076 12.919 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.032 -10.360 10.842 1.00 0.00 H new ATOM 0 HH TYR A 34 1.876 -10.337 13.044 1.00 0.00 H new ATOM 457 N GLU A 35 -3.702 -7.987 6.166 1.00 0.00 N ATOM 458 CA GLU A 35 -4.037 -7.576 4.807 1.00 0.00 C ATOM 459 C GLU A 35 -4.674 -6.189 4.800 1.00 0.00 C ATOM 460 O GLU A 35 -4.271 -5.315 4.033 1.00 0.00 O ATOM 461 CB GLU A 35 -4.987 -8.589 4.164 1.00 0.00 C ATOM 462 CG GLU A 35 -5.293 -8.294 2.705 1.00 0.00 C ATOM 463 CD GLU A 35 -6.669 -8.775 2.288 1.00 0.00 C ATOM 464 OE1 GLU A 35 -7.051 -9.896 2.685 1.00 0.00 O ATOM 465 OE2 GLU A 35 -7.364 -8.030 1.566 1.00 0.00 O ATOM 0 H GLU A 35 -4.153 -8.850 6.469 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.114 -7.536 4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.550 -9.584 4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.921 -8.607 4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.220 -7.220 2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.540 -8.770 2.077 1.00 0.00 H new ATOM 472 N GLU A 36 -5.670 -5.997 5.659 1.00 0.00 N ATOM 473 CA GLU A 36 -6.363 -4.718 5.751 1.00 0.00 C ATOM 474 C GLU A 36 -5.431 -3.631 6.279 1.00 0.00 C ATOM 475 O GLU A 36 -5.494 -2.481 5.846 1.00 0.00 O ATOM 476 CB GLU A 36 -7.589 -4.840 6.658 1.00 0.00 C ATOM 477 CG GLU A 36 -8.664 -3.805 6.371 1.00 0.00 C ATOM 478 CD GLU A 36 -9.660 -4.274 5.328 1.00 0.00 C ATOM 479 OE1 GLU A 36 -10.128 -5.427 5.430 1.00 0.00 O ATOM 480 OE2 GLU A 36 -9.972 -3.486 4.411 1.00 0.00 O ATOM 0 H GLU A 36 -6.015 -6.711 6.301 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.689 -4.438 4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.016 -5.836 6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.273 -4.745 7.697 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.194 -3.571 7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.194 -2.883 6.030 1.00 0.00 H new ATOM 487 N ALA A 37 -4.568 -4.005 7.218 1.00 0.00 N ATOM 488 CA ALA A 37 -3.623 -3.063 7.806 1.00 0.00 C ATOM 489 C ALA A 37 -2.605 -2.592 6.773 1.00 0.00 C ATOM 490 O ALA A 37 -2.233 -1.418 6.744 1.00 0.00 O ATOM 491 CB ALA A 37 -2.917 -3.698 8.995 1.00 0.00 C ATOM 0 H ALA A 37 -4.504 -4.953 7.588 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.181 -2.193 8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.214 -2.984 9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.654 -3.980 9.747 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.377 -4.586 8.666 1.00 0.00 H new ATOM 497 N LEU A 38 -2.156 -3.514 5.928 1.00 0.00 N ATOM 498 CA LEU A 38 -1.180 -3.192 4.893 1.00 0.00 C ATOM 499 C LEU A 38 -1.678 -2.054 4.009 1.00 0.00 C ATOM 500 O LEU A 38 -1.143 -0.946 4.048 1.00 0.00 O ATOM 501 CB LEU A 38 -0.888 -4.427 4.038 1.00 0.00 C ATOM 502 CG LEU A 38 0.162 -4.251 2.941 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.540 -4.039 3.550 1.00 0.00 C ATOM 504 CD2 LEU A 38 0.168 -5.454 2.010 1.00 0.00 C ATOM 0 H LEU A 38 -2.452 -4.490 5.939 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.261 -2.871 5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.564 -5.232 4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.819 -4.751 3.573 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.095 -3.367 2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.274 -3.916 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.528 -3.146 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.806 -4.904 4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.922 -5.311 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.400 -6.354 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.813 -5.560 1.547 1.00 0.00 H new ATOM 516 N GLN A 39 -2.706 -2.334 3.214 1.00 0.00 N ATOM 517 CA GLN A 39 -3.277 -1.333 2.321 1.00 0.00 C ATOM 518 C GLN A 39 -3.467 -0.004 3.045 1.00 0.00 C ATOM 519 O GLN A 39 -3.263 1.065 2.468 1.00 0.00 O ATOM 520 CB GLN A 39 -4.615 -1.820 1.764 1.00 0.00 C ATOM 521 CG GLN A 39 -5.759 -1.730 2.761 1.00 0.00 C ATOM 522 CD GLN A 39 -7.117 -1.892 2.108 1.00 0.00 C ATOM 523 OE1 GLN A 39 -7.487 -2.987 1.683 1.00 0.00 O ATOM 524 NE2 GLN A 39 -7.868 -0.800 2.024 1.00 0.00 N ATOM 0 H GLN A 39 -3.160 -3.246 3.170 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.582 -1.180 1.495 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.867 -1.233 0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.508 -2.855 1.439 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.633 -2.499 3.523 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.717 -0.767 3.270 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.521 0.087 2.390 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.792 -0.848 1.594 1.00 0.00 H new ATOM 533 N LEU A 40 -3.860 -0.077 4.312 1.00 0.00 N ATOM 534 CA LEU A 40 -4.079 1.120 5.116 1.00 0.00 C ATOM 535 C LEU A 40 -2.752 1.767 5.501 1.00 0.00 C ATOM 536 O LEU A 40 -2.673 2.982 5.686 1.00 0.00 O ATOM 537 CB LEU A 40 -4.876 0.775 6.375 1.00 0.00 C ATOM 538 CG LEU A 40 -6.324 0.336 6.154 1.00 0.00 C ATOM 539 CD1 LEU A 40 -6.931 -0.173 7.452 1.00 0.00 C ATOM 540 CD2 LEU A 40 -7.149 1.484 5.590 1.00 0.00 C ATOM 0 H LEU A 40 -4.034 -0.953 4.805 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.649 1.831 4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.353 -0.021 6.905 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.878 1.646 7.030 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.331 -0.479 5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.962 -0.481 7.276 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.355 -1.025 7.814 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.912 0.621 8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.177 1.154 5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.136 2.320 6.290 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.726 1.802 4.637 1.00 0.00 H new ATOM 552 N TYR A 41 -1.713 0.949 5.618 1.00 0.00 N ATOM 553 CA TYR A 41 -0.389 1.441 5.982 1.00 0.00 C ATOM 554 C TYR A 41 0.263 2.166 4.808 1.00 0.00 C ATOM 555 O TYR A 41 0.980 3.149 4.994 1.00 0.00 O ATOM 556 CB TYR A 41 0.500 0.284 6.439 1.00 0.00 C ATOM 557 CG TYR A 41 0.345 -0.057 7.904 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.394 0.935 8.876 1.00 0.00 C ATOM 559 CD2 TYR A 41 0.151 -1.369 8.316 1.00 0.00 C ATOM 560 CE1 TYR A 41 0.253 0.628 10.216 1.00 0.00 C ATOM 561 CE2 TYR A 41 0.009 -1.685 9.653 1.00 0.00 C ATOM 562 CZ TYR A 41 0.060 -0.683 10.599 1.00 0.00 C ATOM 563 OH TYR A 41 -0.080 -0.993 11.933 1.00 0.00 O ATOM 0 H TYR A 41 -1.761 -0.058 5.466 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.504 2.148 6.804 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.268 -0.599 5.843 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.542 0.537 6.242 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.545 1.962 8.579 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.110 -2.156 7.578 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.294 1.410 10.959 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.141 -2.711 9.956 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.209 -1.959 12.032 1.00 0.00 H new ATOM 573 N GLN A 42 0.007 1.674 3.601 1.00 0.00 N ATOM 574 CA GLN A 42 0.569 2.274 2.397 1.00 0.00 C ATOM 575 C GLN A 42 -0.158 3.567 2.043 1.00 0.00 C ATOM 576 O GLN A 42 0.469 4.607 1.835 1.00 0.00 O ATOM 577 CB GLN A 42 0.488 1.293 1.226 1.00 0.00 C ATOM 578 CG GLN A 42 1.123 -0.057 1.519 1.00 0.00 C ATOM 579 CD GLN A 42 1.630 -0.747 0.268 1.00 0.00 C ATOM 580 OE1 GLN A 42 1.807 -0.116 -0.775 1.00 0.00 O ATOM 581 NE2 GLN A 42 1.869 -2.049 0.365 1.00 0.00 N ATOM 0 H GLN A 42 -0.586 0.862 3.430 1.00 0.00 H new ATOM 0 HA GLN A 42 1.615 2.508 2.593 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.558 1.143 0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.977 1.735 0.358 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.951 0.078 2.215 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.393 -0.698 2.013 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.709 -2.533 1.249 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.213 -2.566 -0.444 1.00 0.00 H new ATOM 590 N HIS A 43 -1.483 3.496 1.976 1.00 0.00 N ATOM 591 CA HIS A 43 -2.296 4.662 1.647 1.00 0.00 C ATOM 592 C HIS A 43 -1.932 5.846 2.537 1.00 0.00 C ATOM 593 O HIS A 43 -1.524 6.899 2.048 1.00 0.00 O ATOM 594 CB HIS A 43 -3.782 4.333 1.799 1.00 0.00 C ATOM 595 CG HIS A 43 -4.408 3.800 0.547 1.00 0.00 C ATOM 596 ND1 HIS A 43 -4.510 4.535 -0.615 1.00 0.00 N ATOM 597 CD2 HIS A 43 -4.966 2.596 0.279 1.00 0.00 C ATOM 598 CE1 HIS A 43 -5.104 3.806 -1.543 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.391 2.625 -1.026 1.00 0.00 N ATOM 0 H HIS A 43 -2.017 2.644 2.145 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.096 4.934 0.611 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.904 3.600 2.597 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.315 5.232 2.108 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.059 1.767 0.965 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.319 4.122 -2.553 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.853 1.859 -1.516 1.00 0.00 H new ATOM 608 N ALA A 44 -2.083 5.666 3.845 1.00 0.00 N ATOM 609 CA ALA A 44 -1.768 6.720 4.802 1.00 0.00 C ATOM 610 C ALA A 44 -0.559 7.530 4.349 1.00 0.00 C ATOM 611 O ALA A 44 -0.576 8.761 4.379 1.00 0.00 O ATOM 612 CB ALA A 44 -1.521 6.124 6.180 1.00 0.00 C ATOM 0 H ALA A 44 -2.421 4.801 4.266 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.623 7.394 4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.287 6.922 6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.414 5.596 6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.685 5.427 6.130 1.00 0.00 H new ATOM 618 N VAL A 45 0.492 6.832 3.929 1.00 0.00 N ATOM 619 CA VAL A 45 1.711 7.487 3.469 1.00 0.00 C ATOM 620 C VAL A 45 1.474 8.234 2.161 1.00 0.00 C ATOM 621 O VAL A 45 1.880 9.385 2.011 1.00 0.00 O ATOM 622 CB VAL A 45 2.852 6.472 3.269 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.108 7.172 2.771 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.128 5.719 4.561 1.00 0.00 C ATOM 0 H VAL A 45 0.524 5.813 3.898 1.00 0.00 H new ATOM 0 HA VAL A 45 1.999 8.199 4.243 1.00 0.00 H new ATOM 0 HB VAL A 45 2.544 5.749 2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.903 6.439 2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.899 7.661 1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.422 7.918 3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.937 5.006 4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.416 6.426 5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.230 5.185 4.870 1.00 0.00 H new ATOM 634 N GLN A 46 0.813 7.569 1.219 1.00 0.00 N ATOM 635 CA GLN A 46 0.522 8.170 -0.077 1.00 0.00 C ATOM 636 C GLN A 46 -0.085 9.560 0.091 1.00 0.00 C ATOM 637 O GLN A 46 0.389 10.531 -0.499 1.00 0.00 O ATOM 638 CB GLN A 46 -0.431 7.278 -0.875 1.00 0.00 C ATOM 639 CG GLN A 46 0.187 5.957 -1.302 1.00 0.00 C ATOM 640 CD GLN A 46 1.313 6.135 -2.301 1.00 0.00 C ATOM 641 OE1 GLN A 46 1.092 6.570 -3.432 1.00 0.00 O ATOM 642 NE2 GLN A 46 2.529 5.799 -1.889 1.00 0.00 N ATOM 0 H GLN A 46 0.469 6.615 1.329 1.00 0.00 H new ATOM 0 HA GLN A 46 1.461 8.266 -0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.317 7.077 -0.273 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.764 7.818 -1.762 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.566 5.436 -0.422 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.585 5.324 -1.739 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.667 5.443 -0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.326 5.897 -2.518 1.00 0.00 H new ATOM 651 N TYR A 47 -1.135 9.647 0.899 1.00 0.00 N ATOM 652 CA TYR A 47 -1.808 10.917 1.143 1.00 0.00 C ATOM 653 C TYR A 47 -0.872 11.907 1.831 1.00 0.00 C ATOM 654 O TYR A 47 -0.798 13.076 1.451 1.00 0.00 O ATOM 655 CB TYR A 47 -3.057 10.701 1.999 1.00 0.00 C ATOM 656 CG TYR A 47 -4.164 9.964 1.279 1.00 0.00 C ATOM 657 CD1 TYR A 47 -5.067 10.644 0.472 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.308 8.588 1.408 1.00 0.00 C ATOM 659 CE1 TYR A 47 -6.081 9.976 -0.187 1.00 0.00 C ATOM 660 CE2 TYR A 47 -5.317 7.911 0.751 1.00 0.00 C ATOM 661 CZ TYR A 47 -6.201 8.609 -0.045 1.00 0.00 C ATOM 662 OH TYR A 47 -7.209 7.939 -0.699 1.00 0.00 O ATOM 0 H TYR A 47 -1.539 8.853 1.396 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.103 11.333 0.180 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.782 10.142 2.894 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.432 11.669 2.330 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.975 11.714 0.358 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.619 8.038 2.033 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.775 10.521 -0.810 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.413 6.841 0.860 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.153 6.982 -0.494 1.00 0.00 H new ATOM 672 N PHE A 48 -0.158 11.429 2.844 1.00 0.00 N ATOM 673 CA PHE A 48 0.774 12.270 3.586 1.00 0.00 C ATOM 674 C PHE A 48 1.731 12.988 2.639 1.00 0.00 C ATOM 675 O PHE A 48 1.870 14.211 2.687 1.00 0.00 O ATOM 676 CB PHE A 48 1.566 11.429 4.589 1.00 0.00 C ATOM 677 CG PHE A 48 0.863 11.242 5.903 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.351 12.331 6.591 1.00 0.00 C ATOM 679 CD2 PHE A 48 0.713 9.978 6.450 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.297 12.162 7.800 1.00 0.00 C ATOM 681 CE2 PHE A 48 0.065 9.803 7.659 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.439 10.897 8.335 1.00 0.00 C ATOM 0 H PHE A 48 -0.207 10.464 3.170 1.00 0.00 H new ATOM 0 HA PHE A 48 0.196 13.019 4.127 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.768 10.451 4.152 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.531 11.904 4.767 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.460 13.323 6.178 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.107 9.119 5.926 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.692 13.019 8.326 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.047 8.812 8.074 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.943 10.763 9.281 1.00 0.00 H new ATOM 692 N LEU A 49 2.391 12.219 1.780 1.00 0.00 N ATOM 693 CA LEU A 49 3.336 12.780 0.821 1.00 0.00 C ATOM 694 C LEU A 49 2.691 13.901 0.013 1.00 0.00 C ATOM 695 O LEU A 49 3.147 15.045 0.044 1.00 0.00 O ATOM 696 CB LEU A 49 3.848 11.688 -0.120 1.00 0.00 C ATOM 697 CG LEU A 49 4.870 10.717 0.473 1.00 0.00 C ATOM 698 CD1 LEU A 49 5.083 9.533 -0.458 1.00 0.00 C ATOM 699 CD2 LEU A 49 6.187 11.428 0.744 1.00 0.00 C ATOM 0 H LEU A 49 2.289 11.205 1.728 1.00 0.00 H new ATOM 0 HA LEU A 49 4.176 13.195 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.993 11.112 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.295 12.167 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 49 4.481 10.343 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.813 8.853 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.138 9.008 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.450 9.889 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.902 10.721 1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.582 11.831 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.022 12.242 1.450 1.00 0.00 H new ATOM 711 N HIS A 50 1.627 13.567 -0.710 1.00 0.00 N ATOM 712 CA HIS A 50 0.917 14.547 -1.524 1.00 0.00 C ATOM 713 C HIS A 50 0.799 15.880 -0.792 1.00 0.00 C ATOM 714 O HIS A 50 0.957 16.944 -1.389 1.00 0.00 O ATOM 715 CB HIS A 50 -0.475 14.027 -1.888 1.00 0.00 C ATOM 716 CG HIS A 50 -1.009 14.591 -3.168 1.00 0.00 C ATOM 717 ND1 HIS A 50 -0.515 14.243 -4.408 1.00 0.00 N ATOM 718 CD2 HIS A 50 -2.002 15.482 -3.397 1.00 0.00 C ATOM 719 CE1 HIS A 50 -1.180 14.897 -5.343 1.00 0.00 C ATOM 720 NE2 HIS A 50 -2.088 15.655 -4.756 1.00 0.00 N ATOM 0 H HIS A 50 1.237 12.625 -0.749 1.00 0.00 H new ATOM 0 HA HIS A 50 1.489 14.705 -2.438 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.439 12.940 -1.966 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.166 14.265 -1.079 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.613 15.967 -2.650 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.010 14.824 -6.407 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.747 16.269 -5.235 1.00 0.00 H new ATOM 729 N VAL A 51 0.521 15.814 0.507 1.00 0.00 N ATOM 730 CA VAL A 51 0.383 17.015 1.321 1.00 0.00 C ATOM 731 C VAL A 51 1.710 17.756 1.437 1.00 0.00 C ATOM 732 O VAL A 51 1.794 18.951 1.155 1.00 0.00 O ATOM 733 CB VAL A 51 -0.131 16.679 2.734 1.00 0.00 C ATOM 734 CG1 VAL A 51 -0.219 17.938 3.583 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.481 15.983 2.658 1.00 0.00 C ATOM 0 H VAL A 51 0.387 14.941 1.017 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.344 17.655 0.821 1.00 0.00 H new ATOM 0 HB VAL A 51 0.577 15.999 3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.584 17.681 4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.769 18.392 3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.905 18.645 3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.829 15.753 3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.201 16.637 2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.382 15.059 2.088 1.00 0.00 H new ATOM 745 N VAL A 52 2.748 17.037 1.856 1.00 0.00 N ATOM 746 CA VAL A 52 4.073 17.626 2.008 1.00 0.00 C ATOM 747 C VAL A 52 4.624 18.095 0.666 1.00 0.00 C ATOM 748 O VAL A 52 5.630 18.802 0.608 1.00 0.00 O ATOM 749 CB VAL A 52 5.062 16.626 2.636 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.452 17.236 2.729 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.573 16.181 4.006 1.00 0.00 C ATOM 0 H VAL A 52 2.696 16.047 2.096 1.00 0.00 H new ATOM 0 HA VAL A 52 3.964 18.484 2.672 1.00 0.00 H new ATOM 0 HB VAL A 52 5.119 15.747 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.137 16.515 3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.802 17.499 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.415 18.132 3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.284 15.475 4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.484 17.048 4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.600 15.700 3.907 1.00 0.00 H new ATOM 761 N LYS A 53 3.958 17.696 -0.412 1.00 0.00 N ATOM 762 CA LYS A 53 4.378 18.077 -1.756 1.00 0.00 C ATOM 763 C LYS A 53 3.827 19.448 -2.131 1.00 0.00 C ATOM 764 O LYS A 53 4.574 20.339 -2.535 1.00 0.00 O ATOM 765 CB LYS A 53 3.913 17.032 -2.773 1.00 0.00 C ATOM 766 CG LYS A 53 4.632 17.120 -4.107 1.00 0.00 C ATOM 767 CD LYS A 53 4.265 15.959 -5.016 1.00 0.00 C ATOM 768 CE LYS A 53 5.340 15.710 -6.063 1.00 0.00 C ATOM 769 NZ LYS A 53 5.221 14.354 -6.668 1.00 0.00 N ATOM 0 H LYS A 53 3.125 17.109 -0.382 1.00 0.00 H new ATOM 0 HA LYS A 53 5.467 18.128 -1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.063 16.037 -2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.842 17.150 -2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.379 18.061 -4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.709 17.127 -3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.122 15.059 -4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.316 16.168 -5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.266 16.465 -6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.324 15.819 -5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.971 14.223 -7.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.317 13.633 -5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.292 14.258 -7.126 1.00 0.00 H new ATOM 783 N TYR A 54 2.516 19.611 -1.993 1.00 0.00 N ATOM 784 CA TYR A 54 1.864 20.875 -2.318 1.00 0.00 C ATOM 785 C TYR A 54 1.347 21.561 -1.058 1.00 0.00 C ATOM 786 O TYR A 54 1.519 22.767 -0.881 1.00 0.00 O ATOM 787 CB TYR A 54 0.710 20.641 -3.295 1.00 0.00 C ATOM 788 CG TYR A 54 1.024 19.625 -4.370 1.00 0.00 C ATOM 789 CD1 TYR A 54 1.627 20.009 -5.561 1.00 0.00 C ATOM 790 CD2 TYR A 54 0.717 18.281 -4.195 1.00 0.00 C ATOM 791 CE1 TYR A 54 1.914 19.085 -6.547 1.00 0.00 C ATOM 792 CE2 TYR A 54 1.002 17.350 -5.174 1.00 0.00 C ATOM 793 CZ TYR A 54 1.600 17.756 -6.349 1.00 0.00 C ATOM 794 OH TYR A 54 1.886 16.832 -7.327 1.00 0.00 O ATOM 0 H TYR A 54 1.884 18.884 -1.658 1.00 0.00 H new ATOM 0 HA TYR A 54 2.602 21.526 -2.787 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.166 20.309 -2.737 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.447 21.588 -3.767 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.876 21.048 -5.719 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.247 17.959 -3.277 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.382 19.401 -7.468 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.758 16.309 -5.021 1.00 0.00 H new ATOM 0 HH TYR A 54 1.603 15.942 -7.029 1.00 0.00 H new ATOM 804 N GLU A 55 0.714 20.784 -0.185 1.00 0.00 N ATOM 805 CA GLU A 55 0.172 21.317 1.059 1.00 0.00 C ATOM 806 C GLU A 55 1.245 21.366 2.143 1.00 0.00 C ATOM 807 O GLU A 55 0.943 21.296 3.334 1.00 0.00 O ATOM 808 CB GLU A 55 -1.008 20.466 1.533 1.00 0.00 C ATOM 809 CG GLU A 55 -2.173 20.445 0.558 1.00 0.00 C ATOM 810 CD GLU A 55 -1.753 20.051 -0.845 1.00 0.00 C ATOM 811 OE1 GLU A 55 -1.054 19.026 -0.989 1.00 0.00 O ATOM 812 OE2 GLU A 55 -2.124 20.767 -1.798 1.00 0.00 O ATOM 0 H GLU A 55 0.564 19.784 -0.316 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.175 22.333 0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.665 19.445 1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.356 20.845 2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.929 19.747 0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.637 21.431 0.531 1.00 0.00 H new ATOM 819 N ALA A 56 2.499 21.487 1.721 1.00 0.00 N ATOM 820 CA ALA A 56 3.617 21.547 2.655 1.00 0.00 C ATOM 821 C ALA A 56 3.327 22.514 3.797 1.00 0.00 C ATOM 822 O ALA A 56 2.623 23.507 3.616 1.00 0.00 O ATOM 823 CB ALA A 56 4.891 21.952 1.927 1.00 0.00 C ATOM 0 H ALA A 56 2.767 21.545 0.738 1.00 0.00 H new ATOM 0 HA ALA A 56 3.756 20.554 3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.718 21.993 2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.115 21.220 1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.754 22.933 1.472 1.00 0.00 H new ATOM 829 N GLN A 57 3.874 22.218 4.971 1.00 0.00 N ATOM 830 CA GLN A 57 3.672 23.062 6.143 1.00 0.00 C ATOM 831 C GLN A 57 4.988 23.301 6.875 1.00 0.00 C ATOM 832 O GLN A 57 6.019 22.728 6.523 1.00 0.00 O ATOM 833 CB GLN A 57 2.657 22.421 7.090 1.00 0.00 C ATOM 834 CG GLN A 57 1.290 22.204 6.462 1.00 0.00 C ATOM 835 CD GLN A 57 0.339 21.458 7.376 1.00 0.00 C ATOM 836 OE1 GLN A 57 0.508 21.451 8.595 1.00 0.00 O ATOM 837 NE2 GLN A 57 -0.670 20.823 6.790 1.00 0.00 N ATOM 0 H GLN A 57 4.461 21.400 5.136 1.00 0.00 H new ATOM 0 HA GLN A 57 3.286 24.024 5.805 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.047 21.462 7.432 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.546 23.052 7.972 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.856 23.170 6.203 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.406 21.647 5.532 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.773 20.855 5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.342 20.303 7.354 1.00 0.00 H new ATOM 846 N GLY A 58 4.946 24.152 7.895 1.00 0.00 N ATOM 847 CA GLY A 58 6.142 24.453 8.661 1.00 0.00 C ATOM 848 C GLY A 58 7.046 23.247 8.821 1.00 0.00 C ATOM 849 O GLY A 58 6.574 22.111 8.876 1.00 0.00 O ATOM 0 H GLY A 58 4.105 24.639 8.205 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.693 25.254 8.168 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.856 24.822 9.646 1.00 0.00 H new ATOM 853 N ASP A 59 8.350 23.492 8.894 1.00 0.00 N ATOM 854 CA ASP A 59 9.323 22.417 9.048 1.00 0.00 C ATOM 855 C ASP A 59 8.790 21.331 9.977 1.00 0.00 C ATOM 856 O ASP A 59 8.634 20.177 9.577 1.00 0.00 O ATOM 857 CB ASP A 59 10.642 22.968 9.592 1.00 0.00 C ATOM 858 CG ASP A 59 11.778 21.971 9.476 1.00 0.00 C ATOM 859 OD1 ASP A 59 12.009 21.463 8.359 1.00 0.00 O ATOM 860 OD2 ASP A 59 12.434 21.697 10.503 1.00 0.00 O ATOM 0 H ASP A 59 8.757 24.426 8.849 1.00 0.00 H new ATOM 0 HA ASP A 59 9.499 21.977 8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.904 23.877 9.050 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.512 23.246 10.638 1.00 0.00 H new ATOM 865 N LYS A 60 8.513 21.707 11.221 1.00 0.00 N ATOM 866 CA LYS A 60 7.997 20.767 12.209 1.00 0.00 C ATOM 867 C LYS A 60 7.030 19.778 11.565 1.00 0.00 C ATOM 868 O LYS A 60 7.161 18.566 11.737 1.00 0.00 O ATOM 869 CB LYS A 60 7.295 21.518 13.342 1.00 0.00 C ATOM 870 CG LYS A 60 8.204 22.478 14.090 1.00 0.00 C ATOM 871 CD LYS A 60 7.524 23.043 15.325 1.00 0.00 C ATOM 872 CE LYS A 60 6.520 24.126 14.963 1.00 0.00 C ATOM 873 NZ LYS A 60 7.190 25.414 14.628 1.00 0.00 N ATOM 0 H LYS A 60 8.637 22.658 11.569 1.00 0.00 H new ATOM 0 HA LYS A 60 8.840 20.211 12.619 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.453 22.074 12.931 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.885 20.795 14.047 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.119 21.962 14.381 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.495 23.294 13.429 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.018 22.241 15.862 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.275 23.453 16.000 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.921 23.797 14.114 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.835 24.279 15.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.471 26.148 14.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.808 25.699 15.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.759 25.295 13.766 1.00 0.00 H new ATOM 887 N ALA A 61 6.060 20.303 10.824 1.00 0.00 N ATOM 888 CA ALA A 61 5.074 19.466 10.152 1.00 0.00 C ATOM 889 C ALA A 61 5.742 18.518 9.161 1.00 0.00 C ATOM 890 O ALA A 61 5.491 17.313 9.173 1.00 0.00 O ATOM 891 CB ALA A 61 4.042 20.331 9.444 1.00 0.00 C ATOM 0 H ALA A 61 5.936 21.304 10.674 1.00 0.00 H new ATOM 0 HA ALA A 61 4.570 18.863 10.908 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.312 19.693 8.946 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.535 20.962 10.173 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.539 20.959 8.704 1.00 0.00 H new ATOM 897 N LYS A 62 6.593 19.071 8.303 1.00 0.00 N ATOM 898 CA LYS A 62 7.298 18.276 7.304 1.00 0.00 C ATOM 899 C LYS A 62 8.025 17.104 7.956 1.00 0.00 C ATOM 900 O LYS A 62 7.731 15.944 7.671 1.00 0.00 O ATOM 901 CB LYS A 62 8.297 19.148 6.540 1.00 0.00 C ATOM 902 CG LYS A 62 7.710 19.802 5.301 1.00 0.00 C ATOM 903 CD LYS A 62 8.454 21.075 4.937 1.00 0.00 C ATOM 904 CE LYS A 62 7.661 21.922 3.953 1.00 0.00 C ATOM 905 NZ LYS A 62 8.090 23.348 3.978 1.00 0.00 N ATOM 0 H LYS A 62 6.811 20.067 8.279 1.00 0.00 H new ATOM 0 HA LYS A 62 6.561 17.881 6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.673 19.924 7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.151 18.537 6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.752 19.103 4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.658 20.031 5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.651 21.653 5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.421 20.821 4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.786 21.523 2.947 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.599 21.858 4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.526 23.892 3.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.947 23.737 4.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.097 23.412 3.725 1.00 0.00 H new ATOM 919 N GLN A 63 8.973 17.416 8.834 1.00 0.00 N ATOM 920 CA GLN A 63 9.741 16.388 9.526 1.00 0.00 C ATOM 921 C GLN A 63 8.820 15.442 10.290 1.00 0.00 C ATOM 922 O GLN A 63 9.072 14.240 10.364 1.00 0.00 O ATOM 923 CB GLN A 63 10.743 17.030 10.487 1.00 0.00 C ATOM 924 CG GLN A 63 10.088 17.791 11.629 1.00 0.00 C ATOM 925 CD GLN A 63 11.092 18.291 12.649 1.00 0.00 C ATOM 926 OE1 GLN A 63 12.289 18.372 12.370 1.00 0.00 O ATOM 927 NE2 GLN A 63 10.610 18.629 13.839 1.00 0.00 N ATOM 0 H GLN A 63 9.227 18.372 9.083 1.00 0.00 H new ATOM 0 HA GLN A 63 10.285 15.811 8.778 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.386 16.253 10.901 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.385 17.711 9.928 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.534 18.638 11.225 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.364 17.143 12.124 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.611 18.546 14.027 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.239 18.972 14.565 1.00 0.00 H new ATOM 936 N SER A 64 7.751 15.994 10.856 1.00 0.00 N ATOM 937 CA SER A 64 6.794 15.201 11.618 1.00 0.00 C ATOM 938 C SER A 64 6.185 14.104 10.750 1.00 0.00 C ATOM 939 O SER A 64 6.324 12.916 11.044 1.00 0.00 O ATOM 940 CB SER A 64 5.688 16.097 12.178 1.00 0.00 C ATOM 941 OG SER A 64 6.129 16.789 13.333 1.00 0.00 O ATOM 0 H SER A 64 7.526 16.987 10.801 1.00 0.00 H new ATOM 0 HA SER A 64 7.326 14.732 12.446 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.376 16.813 11.418 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.815 15.492 12.424 1.00 0.00 H new ATOM 0 HG SER A 64 6.803 17.453 13.079 1.00 0.00 H new ATOM 947 N ILE A 65 5.510 14.511 9.681 1.00 0.00 N ATOM 948 CA ILE A 65 4.880 13.564 8.769 1.00 0.00 C ATOM 949 C ILE A 65 5.895 12.560 8.233 1.00 0.00 C ATOM 950 O ILE A 65 5.710 11.349 8.357 1.00 0.00 O ATOM 951 CB ILE A 65 4.211 14.283 7.583 1.00 0.00 C ATOM 952 CG1 ILE A 65 3.157 15.271 8.087 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.586 13.272 6.634 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.944 16.451 7.165 1.00 0.00 C ATOM 0 H ILE A 65 5.385 15.490 9.425 1.00 0.00 H new ATOM 0 HA ILE A 65 4.116 13.036 9.340 1.00 0.00 H new ATOM 0 HB ILE A 65 4.973 14.840 7.038 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.211 14.746 8.216 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.455 15.637 9.070 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.117 13.796 5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.359 12.604 6.254 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.833 12.690 7.166 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.184 17.109 7.586 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.879 17.000 7.055 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.616 16.095 6.188 1.00 0.00 H new ATOM 966 N ARG A 66 6.968 13.071 7.638 1.00 0.00 N ATOM 967 CA ARG A 66 8.013 12.219 7.083 1.00 0.00 C ATOM 968 C ARG A 66 8.356 11.084 8.044 1.00 0.00 C ATOM 969 O ARG A 66 8.341 9.913 7.667 1.00 0.00 O ATOM 970 CB ARG A 66 9.266 13.043 6.782 1.00 0.00 C ATOM 971 CG ARG A 66 9.263 13.672 5.398 1.00 0.00 C ATOM 972 CD ARG A 66 10.381 14.691 5.246 1.00 0.00 C ATOM 973 NE ARG A 66 11.612 14.083 4.749 1.00 0.00 N ATOM 974 CZ ARG A 66 12.508 13.491 5.531 1.00 0.00 C ATOM 975 NH1 ARG A 66 12.311 13.427 6.841 1.00 0.00 N ATOM 976 NH2 ARG A 66 13.604 12.960 5.003 1.00 0.00 N ATOM 0 H ARG A 66 7.136 14.071 7.528 1.00 0.00 H new ATOM 0 HA ARG A 66 7.640 11.786 6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.361 13.831 7.530 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.143 12.403 6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.374 12.893 4.643 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.302 14.155 5.219 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.064 15.478 4.562 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.574 15.164 6.209 1.00 0.00 H new ATOM 0 HE ARG A 66 11.794 14.115 3.746 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.470 13.833 7.251 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.001 12.972 7.439 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.759 13.006 3.996 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.291 12.506 5.604 1.00 0.00 H new ATOM 990 N ALA A 67 8.666 11.441 9.286 1.00 0.00 N ATOM 991 CA ALA A 67 9.012 10.453 10.301 1.00 0.00 C ATOM 992 C ALA A 67 7.966 9.345 10.367 1.00 0.00 C ATOM 993 O ALA A 67 8.302 8.168 10.498 1.00 0.00 O ATOM 994 CB ALA A 67 9.161 11.122 11.659 1.00 0.00 C ATOM 0 H ALA A 67 8.685 12.407 9.614 1.00 0.00 H new ATOM 0 HA ALA A 67 9.965 10.002 10.024 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.419 10.373 12.407 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.950 11.873 11.610 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.221 11.600 11.934 1.00 0.00 H new ATOM 1000 N LYS A 68 6.698 9.729 10.275 1.00 0.00 N ATOM 1001 CA LYS A 68 5.602 8.768 10.324 1.00 0.00 C ATOM 1002 C LYS A 68 5.594 7.888 9.079 1.00 0.00 C ATOM 1003 O LYS A 68 5.375 6.679 9.163 1.00 0.00 O ATOM 1004 CB LYS A 68 4.263 9.497 10.454 1.00 0.00 C ATOM 1005 CG LYS A 68 4.199 10.446 11.639 1.00 0.00 C ATOM 1006 CD LYS A 68 4.261 9.694 12.959 1.00 0.00 C ATOM 1007 CE LYS A 68 2.963 8.952 13.239 1.00 0.00 C ATOM 1008 NZ LYS A 68 1.847 9.886 13.554 1.00 0.00 N ATOM 0 H LYS A 68 6.403 10.699 10.166 1.00 0.00 H new ATOM 0 HA LYS A 68 5.749 8.132 11.197 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.074 10.059 9.539 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.465 8.760 10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.025 11.155 11.584 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.277 11.026 11.593 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.089 8.985 12.937 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.463 10.395 13.769 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.696 8.347 12.372 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.109 8.266 14.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.061 9.356 13.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.179 10.611 14.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.521 10.344 12.679 1.00 0.00 H new ATOM 1022 N CYS A 69 5.836 8.501 7.925 1.00 0.00 N ATOM 1023 CA CYS A 69 5.858 7.772 6.662 1.00 0.00 C ATOM 1024 C CYS A 69 6.826 6.595 6.730 1.00 0.00 C ATOM 1025 O CYS A 69 6.518 5.496 6.267 1.00 0.00 O ATOM 1026 CB CYS A 69 6.251 8.706 5.517 1.00 0.00 C ATOM 1027 SG CYS A 69 4.919 9.794 4.960 1.00 0.00 S ATOM 0 H CYS A 69 6.020 9.501 7.838 1.00 0.00 H new ATOM 0 HA CYS A 69 4.856 7.384 6.477 1.00 0.00 H new ATOM 0 HB2 CYS A 69 7.096 9.317 5.835 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.592 8.106 4.673 1.00 0.00 H new ATOM 0 HG CYS A 69 5.350 10.547 3.991 1.00 0.00 H new ATOM 1033 N THR A 70 7.999 6.833 7.309 1.00 0.00 N ATOM 1034 CA THR A 70 9.013 5.794 7.435 1.00 0.00 C ATOM 1035 C THR A 70 8.576 4.715 8.419 1.00 0.00 C ATOM 1036 O THR A 70 8.854 3.533 8.221 1.00 0.00 O ATOM 1037 CB THR A 70 10.361 6.378 7.897 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.823 7.351 6.952 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.403 5.280 8.052 1.00 0.00 C ATOM 0 H THR A 70 8.270 7.736 7.698 1.00 0.00 H new ATOM 0 HA THR A 70 9.136 5.352 6.446 1.00 0.00 H new ATOM 0 HB THR A 70 10.212 6.855 8.866 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.680 7.719 7.254 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.346 5.717 8.379 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.062 4.557 8.793 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.548 4.778 7.095 1.00 0.00 H new ATOM 1047 N GLU A 71 7.890 5.130 9.479 1.00 0.00 N ATOM 1048 CA GLU A 71 7.415 4.197 10.494 1.00 0.00 C ATOM 1049 C GLU A 71 6.357 3.261 9.919 1.00 0.00 C ATOM 1050 O GLU A 71 6.541 2.044 9.886 1.00 0.00 O ATOM 1051 CB GLU A 71 6.842 4.959 11.691 1.00 0.00 C ATOM 1052 CG GLU A 71 6.431 4.060 12.845 1.00 0.00 C ATOM 1053 CD GLU A 71 7.438 2.958 13.113 1.00 0.00 C ATOM 1054 OE1 GLU A 71 8.545 3.272 13.598 1.00 0.00 O ATOM 1055 OE2 GLU A 71 7.119 1.783 12.837 1.00 0.00 O ATOM 0 H GLU A 71 7.651 6.105 9.657 1.00 0.00 H new ATOM 0 HA GLU A 71 8.263 3.598 10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.585 5.674 12.045 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.976 5.535 11.364 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.310 4.663 13.745 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.460 3.615 12.626 1.00 0.00 H new ATOM 1062 N TYR A 72 5.248 3.836 9.469 1.00 0.00 N ATOM 1063 CA TYR A 72 4.158 3.054 8.898 1.00 0.00 C ATOM 1064 C TYR A 72 4.659 2.171 7.759 1.00 0.00 C ATOM 1065 O TYR A 72 4.181 1.052 7.569 1.00 0.00 O ATOM 1066 CB TYR A 72 3.049 3.978 8.392 1.00 0.00 C ATOM 1067 CG TYR A 72 2.441 4.843 9.473 1.00 0.00 C ATOM 1068 CD1 TYR A 72 2.046 4.295 10.688 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.261 6.207 9.280 1.00 0.00 C ATOM 1070 CE1 TYR A 72 1.489 5.081 11.678 1.00 0.00 C ATOM 1071 CE2 TYR A 72 1.706 7.001 10.266 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.322 6.433 11.463 1.00 0.00 C ATOM 1073 OH TYR A 72 0.768 7.220 12.446 1.00 0.00 O ATOM 0 H TYR A 72 5.080 4.842 9.489 1.00 0.00 H new ATOM 0 HA TYR A 72 3.757 2.412 9.682 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.452 4.620 7.608 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.264 3.374 7.937 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.177 3.237 10.861 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.560 6.655 8.344 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.186 4.639 12.616 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.574 8.060 10.100 1.00 0.00 H new ATOM 0 HH TYR A 72 0.983 6.845 13.325 1.00 0.00 H new ATOM 1083 N LEU A 73 5.625 2.683 7.005 1.00 0.00 N ATOM 1084 CA LEU A 73 6.194 1.943 5.884 1.00 0.00 C ATOM 1085 C LEU A 73 6.878 0.667 6.365 1.00 0.00 C ATOM 1086 O LEU A 73 6.579 -0.428 5.887 1.00 0.00 O ATOM 1087 CB LEU A 73 7.194 2.816 5.124 1.00 0.00 C ATOM 1088 CG LEU A 73 6.596 3.800 4.117 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.592 4.903 3.793 1.00 0.00 C ATOM 1090 CD2 LEU A 73 6.171 3.073 2.850 1.00 0.00 C ATOM 0 H LEU A 73 6.031 3.608 7.149 1.00 0.00 H new ATOM 0 HA LEU A 73 5.380 1.667 5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.778 3.381 5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.888 2.163 4.595 1.00 0.00 H new ATOM 0 HG LEU A 73 5.713 4.256 4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.149 5.594 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.847 5.442 4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.494 4.465 3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.748 3.788 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.038 2.589 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.422 2.320 3.096 1.00 0.00 H new ATOM 1102 N ASP A 74 7.795 0.816 7.314 1.00 0.00 N ATOM 1103 CA ASP A 74 8.520 -0.324 7.862 1.00 0.00 C ATOM 1104 C ASP A 74 7.556 -1.425 8.293 1.00 0.00 C ATOM 1105 O ASP A 74 7.682 -2.574 7.871 1.00 0.00 O ATOM 1106 CB ASP A 74 9.378 0.114 9.051 1.00 0.00 C ATOM 1107 CG ASP A 74 10.377 -0.949 9.466 1.00 0.00 C ATOM 1108 OD1 ASP A 74 9.961 -1.932 10.114 1.00 0.00 O ATOM 1109 OD2 ASP A 74 11.574 -0.797 9.144 1.00 0.00 O ATOM 0 H ASP A 74 8.054 1.715 7.720 1.00 0.00 H new ATOM 0 HA ASP A 74 9.169 -0.720 7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.911 1.029 8.793 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.730 0.350 9.896 1.00 0.00 H new ATOM 1114 N ARG A 75 6.594 -1.065 9.137 1.00 0.00 N ATOM 1115 CA ARG A 75 5.610 -2.022 9.627 1.00 0.00 C ATOM 1116 C ARG A 75 5.030 -2.842 8.478 1.00 0.00 C ATOM 1117 O ARG A 75 4.964 -4.069 8.549 1.00 0.00 O ATOM 1118 CB ARG A 75 4.485 -1.296 10.367 1.00 0.00 C ATOM 1119 CG ARG A 75 3.362 -2.215 10.820 1.00 0.00 C ATOM 1120 CD ARG A 75 3.826 -3.168 11.910 1.00 0.00 C ATOM 1121 NE ARG A 75 2.725 -3.598 12.767 1.00 0.00 N ATOM 1122 CZ ARG A 75 2.885 -4.365 13.840 1.00 0.00 C ATOM 1123 NH1 ARG A 75 4.094 -4.783 14.185 1.00 0.00 N ATOM 1124 NH2 ARG A 75 1.833 -4.714 14.570 1.00 0.00 N ATOM 0 H ARG A 75 6.476 -0.117 9.495 1.00 0.00 H new ATOM 0 HA ARG A 75 6.112 -2.699 10.318 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.902 -0.789 11.237 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.072 -0.525 9.717 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.528 -1.618 11.189 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.993 -2.787 9.969 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.292 -4.041 11.454 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.589 -2.680 12.517 1.00 0.00 H new ATOM 0 HE ARG A 75 1.781 -3.293 12.529 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.905 -4.516 13.626 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.214 -5.372 15.009 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.901 -4.393 14.307 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.956 -5.303 15.394 1.00 0.00 H new ATOM 1138 N ALA A 76 4.612 -2.156 7.420 1.00 0.00 N ATOM 1139 CA ALA A 76 4.040 -2.820 6.255 1.00 0.00 C ATOM 1140 C ALA A 76 5.006 -3.851 5.682 1.00 0.00 C ATOM 1141 O ALA A 76 4.599 -4.945 5.290 1.00 0.00 O ATOM 1142 CB ALA A 76 3.667 -1.796 5.194 1.00 0.00 C ATOM 0 H ALA A 76 4.659 -1.140 7.345 1.00 0.00 H new ATOM 0 HA ALA A 76 3.138 -3.343 6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.241 -2.306 4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.934 -1.100 5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.558 -1.247 4.889 1.00 0.00 H new ATOM 1148 N GLU A 77 6.285 -3.495 5.635 1.00 0.00 N ATOM 1149 CA GLU A 77 7.308 -4.391 5.107 1.00 0.00 C ATOM 1150 C GLU A 77 7.155 -5.794 5.687 1.00 0.00 C ATOM 1151 O GLU A 77 7.215 -6.788 4.963 1.00 0.00 O ATOM 1152 CB GLU A 77 8.704 -3.847 5.420 1.00 0.00 C ATOM 1153 CG GLU A 77 8.941 -2.440 4.897 1.00 0.00 C ATOM 1154 CD GLU A 77 9.483 -2.428 3.481 1.00 0.00 C ATOM 1155 OE1 GLU A 77 9.204 -3.386 2.730 1.00 0.00 O ATOM 1156 OE2 GLU A 77 10.186 -1.459 3.124 1.00 0.00 O ATOM 0 H GLU A 77 6.638 -2.593 5.956 1.00 0.00 H new ATOM 0 HA GLU A 77 7.182 -4.448 4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.854 -3.854 6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.450 -4.516 4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.005 -1.882 4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.641 -1.925 5.555 1.00 0.00 H new ATOM 1163 N LYS A 78 6.956 -5.866 6.999 1.00 0.00 N ATOM 1164 CA LYS A 78 6.794 -7.146 7.679 1.00 0.00 C ATOM 1165 C LYS A 78 5.525 -7.853 7.212 1.00 0.00 C ATOM 1166 O LYS A 78 5.489 -9.079 7.105 1.00 0.00 O ATOM 1167 CB LYS A 78 6.746 -6.939 9.195 1.00 0.00 C ATOM 1168 CG LYS A 78 7.973 -6.237 9.751 1.00 0.00 C ATOM 1169 CD LYS A 78 9.194 -7.141 9.722 1.00 0.00 C ATOM 1170 CE LYS A 78 10.474 -6.355 9.958 1.00 0.00 C ATOM 1171 NZ LYS A 78 10.815 -6.270 11.405 1.00 0.00 N ATOM 0 H LYS A 78 6.903 -5.053 7.613 1.00 0.00 H new ATOM 0 HA LYS A 78 7.651 -7.772 7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.859 -6.357 9.446 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.640 -7.908 9.683 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.172 -5.336 9.170 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.779 -5.919 10.775 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.094 -7.914 10.484 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.250 -7.649 8.759 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.295 -6.828 9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.363 -5.350 9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.694 -5.726 11.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.043 -5.796 11.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.946 -7.228 11.788 1.00 0.00 H new ATOM 1185 N LEU A 79 4.487 -7.072 6.933 1.00 0.00 N ATOM 1186 CA LEU A 79 3.216 -7.623 6.475 1.00 0.00 C ATOM 1187 C LEU A 79 3.359 -8.242 5.088 1.00 0.00 C ATOM 1188 O LEU A 79 2.652 -9.189 4.743 1.00 0.00 O ATOM 1189 CB LEU A 79 2.144 -6.533 6.451 1.00 0.00 C ATOM 1190 CG LEU A 79 1.808 -5.891 7.798 1.00 0.00 C ATOM 1191 CD1 LEU A 79 0.712 -4.850 7.635 1.00 0.00 C ATOM 1192 CD2 LEU A 79 1.393 -6.953 8.805 1.00 0.00 C ATOM 0 H LEU A 79 4.500 -6.055 7.016 1.00 0.00 H new ATOM 0 HA LEU A 79 2.915 -8.405 7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.468 -5.748 5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.230 -6.959 6.036 1.00 0.00 H new ATOM 0 HG LEU A 79 2.701 -5.391 8.174 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.487 -4.404 8.604 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.047 -4.073 6.947 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.185 -5.325 7.237 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.158 -6.479 9.758 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.514 -7.481 8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.210 -7.661 8.944 1.00 0.00 H new ATOM 1204 N LYS A 80 4.281 -7.703 4.298 1.00 0.00 N ATOM 1205 CA LYS A 80 4.521 -8.204 2.949 1.00 0.00 C ATOM 1206 C LYS A 80 5.304 -9.513 2.986 1.00 0.00 C ATOM 1207 O LYS A 80 5.117 -10.382 2.136 1.00 0.00 O ATOM 1208 CB LYS A 80 5.284 -7.164 2.125 1.00 0.00 C ATOM 1209 CG LYS A 80 4.570 -5.827 2.023 1.00 0.00 C ATOM 1210 CD LYS A 80 5.422 -4.794 1.304 1.00 0.00 C ATOM 1211 CE LYS A 80 5.039 -3.378 1.707 1.00 0.00 C ATOM 1212 NZ LYS A 80 5.863 -2.359 1.000 1.00 0.00 N ATOM 0 H LYS A 80 4.875 -6.919 4.568 1.00 0.00 H new ATOM 0 HA LYS A 80 3.555 -8.392 2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.266 -7.009 2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.448 -7.557 1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.627 -5.956 1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.326 -5.467 3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.474 -4.966 1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.306 -4.911 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.985 -3.210 1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.162 -3.261 2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.572 -1.407 1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.867 -2.503 1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.727 -2.454 -0.027 1.00 0.00 H new ATOM 1226 N GLU A 81 6.180 -9.645 3.978 1.00 0.00 N ATOM 1227 CA GLU A 81 6.990 -10.849 4.124 1.00 0.00 C ATOM 1228 C GLU A 81 6.253 -11.904 4.944 1.00 0.00 C ATOM 1229 O GLU A 81 6.764 -13.002 5.165 1.00 0.00 O ATOM 1230 CB GLU A 81 8.327 -10.513 4.789 1.00 0.00 C ATOM 1231 CG GLU A 81 8.969 -9.243 4.256 1.00 0.00 C ATOM 1232 CD GLU A 81 9.777 -9.482 2.996 1.00 0.00 C ATOM 1233 OE1 GLU A 81 10.942 -9.917 3.111 1.00 0.00 O ATOM 1234 OE2 GLU A 81 9.244 -9.235 1.894 1.00 0.00 O ATOM 0 H GLU A 81 6.346 -8.935 4.691 1.00 0.00 H new ATOM 0 HA GLU A 81 7.178 -11.253 3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.173 -10.409 5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.015 -11.346 4.644 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.192 -8.506 4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.616 -8.818 5.023 1.00 0.00 H new ATOM 1241 N TYR A 82 5.050 -11.563 5.392 1.00 0.00 N ATOM 1242 CA TYR A 82 4.244 -12.479 6.190 1.00 0.00 C ATOM 1243 C TYR A 82 2.977 -12.882 5.442 1.00 0.00 C ATOM 1244 O TYR A 82 2.612 -14.058 5.402 1.00 0.00 O ATOM 1245 CB TYR A 82 3.876 -11.835 7.528 1.00 0.00 C ATOM 1246 CG TYR A 82 2.582 -12.352 8.113 1.00 0.00 C ATOM 1247 CD1 TYR A 82 1.354 -11.944 7.607 1.00 0.00 C ATOM 1248 CD2 TYR A 82 2.586 -13.251 9.173 1.00 0.00 C ATOM 1249 CE1 TYR A 82 0.169 -12.413 8.139 1.00 0.00 C ATOM 1250 CE2 TYR A 82 1.406 -13.727 9.711 1.00 0.00 C ATOM 1251 CZ TYR A 82 0.201 -13.305 9.191 1.00 0.00 C ATOM 1252 OH TYR A 82 -0.977 -13.776 9.724 1.00 0.00 O ATOM 0 H TYR A 82 4.612 -10.659 5.216 1.00 0.00 H new ATOM 0 HA TYR A 82 4.836 -13.375 6.376 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.682 -12.010 8.240 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.799 -10.756 7.393 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.326 -11.247 6.782 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.528 -13.583 9.583 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.777 -12.084 7.734 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.427 -14.426 10.534 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.780 -14.396 10.457 1.00 0.00 H new ATOM 1262 N LEU A 83 2.310 -11.899 4.848 1.00 0.00 N ATOM 1263 CA LEU A 83 1.083 -12.149 4.099 1.00 0.00 C ATOM 1264 C LEU A 83 1.342 -13.093 2.930 1.00 0.00 C ATOM 1265 O LEU A 83 0.424 -13.735 2.421 1.00 0.00 O ATOM 1266 CB LEU A 83 0.498 -10.832 3.586 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.136 -9.923 4.640 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.351 -8.526 4.080 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.450 -10.511 5.131 1.00 0.00 C ATOM 0 H LEU A 83 2.598 -10.921 4.870 1.00 0.00 H new ATOM 0 HA LEU A 83 0.366 -12.621 4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.291 -10.276 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.255 -11.061 2.832 1.00 0.00 H new ATOM 0 HG LEU A 83 0.546 -9.851 5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.803 -7.893 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.608 -8.103 3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.012 -8.579 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.887 -9.851 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.139 -10.614 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.268 -11.491 5.573 1.00 0.00 H new ATOM 1281 N LYS A 84 2.600 -13.175 2.509 1.00 0.00 N ATOM 1282 CA LYS A 84 2.983 -14.043 1.402 1.00 0.00 C ATOM 1283 C LYS A 84 3.211 -15.472 1.885 1.00 0.00 C ATOM 1284 O LYS A 84 3.305 -16.400 1.084 1.00 0.00 O ATOM 1285 CB LYS A 84 4.249 -13.513 0.726 1.00 0.00 C ATOM 1286 CG LYS A 84 5.532 -14.078 1.310 1.00 0.00 C ATOM 1287 CD LYS A 84 6.674 -13.080 1.216 1.00 0.00 C ATOM 1288 CE LYS A 84 7.162 -12.926 -0.217 1.00 0.00 C ATOM 1289 NZ LYS A 84 7.539 -14.235 -0.818 1.00 0.00 N ATOM 0 H LYS A 84 3.372 -12.650 2.919 1.00 0.00 H new ATOM 0 HA LYS A 84 2.168 -14.049 0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.209 -13.749 -0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.269 -12.426 0.811 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.370 -14.349 2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.802 -14.992 0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.346 -12.113 1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.498 -13.408 1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.381 -12.462 -0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.021 -12.256 -0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.138 -14.074 -1.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.063 -14.800 -0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.679 -14.747 -1.102 1.00 0.00 H new ATOM 1303 N ASN A 85 3.298 -15.640 3.201 1.00 0.00 N ATOM 1304 CA ASN A 85 3.515 -16.956 3.790 1.00 0.00 C ATOM 1305 C ASN A 85 2.194 -17.700 3.962 1.00 0.00 C ATOM 1306 O ASN A 85 2.155 -18.930 3.953 1.00 0.00 O ATOM 1307 CB ASN A 85 4.217 -16.823 5.143 1.00 0.00 C ATOM 1308 CG ASN A 85 3.237 -16.736 6.297 1.00 0.00 C ATOM 1309 OD1 ASN A 85 2.397 -17.617 6.480 1.00 0.00 O ATOM 1310 ND2 ASN A 85 3.340 -15.670 7.082 1.00 0.00 N ATOM 0 H ASN A 85 3.222 -14.882 3.879 1.00 0.00 H new ATOM 0 HA ASN A 85 4.149 -17.529 3.113 1.00 0.00 H new ATOM 0 HB2 ASN A 85 4.876 -17.678 5.293 1.00 0.00 H new ATOM 0 HB3 ASN A 85 4.847 -15.933 5.137 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.708 -15.557 7.874 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.052 -14.964 6.893 1.00 0.00 H new ATOM 1317 N LYS A 86 1.112 -16.944 4.117 1.00 0.00 N ATOM 1318 CA LYS A 86 -0.213 -17.529 4.289 1.00 0.00 C ATOM 1319 C LYS A 86 -0.970 -17.560 2.965 1.00 0.00 C ATOM 1320 O LYS A 86 -1.764 -18.465 2.715 1.00 0.00 O ATOM 1321 CB LYS A 86 -1.012 -16.738 5.327 1.00 0.00 C ATOM 1322 CG LYS A 86 -1.767 -15.557 4.742 1.00 0.00 C ATOM 1323 CD LYS A 86 -2.373 -14.688 5.832 1.00 0.00 C ATOM 1324 CE LYS A 86 -3.749 -15.189 6.244 1.00 0.00 C ATOM 1325 NZ LYS A 86 -4.458 -14.209 7.112 1.00 0.00 N ATOM 0 H LYS A 86 1.127 -15.924 4.127 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.088 -18.553 4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.722 -17.407 5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.332 -16.378 6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.091 -14.958 4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.556 -15.919 4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.713 -14.678 6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.450 -13.660 5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.346 -15.384 5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.647 -16.136 6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.392 -14.587 7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.901 -14.042 7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.578 -13.313 6.598 1.00 0.00 H new ATOM 1339 N GLU A 87 -0.715 -16.565 2.120 1.00 0.00 N ATOM 1340 CA GLU A 87 -1.373 -16.480 0.821 1.00 0.00 C ATOM 1341 C GLU A 87 -1.203 -17.780 0.039 1.00 0.00 C ATOM 1342 O GLU A 87 -0.190 -18.467 0.167 1.00 0.00 O ATOM 1343 CB GLU A 87 -0.809 -15.309 0.015 1.00 0.00 C ATOM 1344 CG GLU A 87 -1.685 -14.900 -1.158 1.00 0.00 C ATOM 1345 CD GLU A 87 -3.163 -14.928 -0.821 1.00 0.00 C ATOM 1346 OE1 GLU A 87 -3.603 -14.086 -0.010 1.00 0.00 O ATOM 1347 OE2 GLU A 87 -3.879 -15.792 -1.368 1.00 0.00 O ATOM 0 H GLU A 87 -0.059 -15.808 2.311 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.437 -16.315 0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.679 -14.453 0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.180 -15.578 -0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.409 -13.896 -1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.495 -15.568 -1.998 1.00 0.00 H new ATOM 1354 N LYS A 88 -2.203 -18.110 -0.772 1.00 0.00 N ATOM 1355 CA LYS A 88 -2.165 -19.326 -1.576 1.00 0.00 C ATOM 1356 C LYS A 88 -0.926 -19.353 -2.464 1.00 0.00 C ATOM 1357 O LYS A 88 -0.464 -18.314 -2.936 1.00 0.00 O ATOM 1358 CB LYS A 88 -3.426 -19.430 -2.438 1.00 0.00 C ATOM 1359 CG LYS A 88 -3.277 -20.372 -3.620 1.00 0.00 C ATOM 1360 CD LYS A 88 -4.609 -20.994 -4.008 1.00 0.00 C ATOM 1361 CE LYS A 88 -4.416 -22.230 -4.873 1.00 0.00 C ATOM 1362 NZ LYS A 88 -5.715 -22.794 -5.333 1.00 0.00 N ATOM 0 H LYS A 88 -3.049 -17.553 -0.890 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.123 -20.179 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.255 -19.769 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.688 -18.438 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.867 -19.828 -4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.565 -21.159 -3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.163 -21.261 -3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.210 -20.262 -4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.804 -21.976 -5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.871 -22.987 -4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.540 -23.635 -5.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.289 -23.061 -4.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.224 -22.081 -5.893 1.00 0.00 H new ATOM 1376 N LYS A 89 -0.391 -20.549 -2.689 1.00 0.00 N ATOM 1377 CA LYS A 89 0.794 -20.713 -3.523 1.00 0.00 C ATOM 1378 C LYS A 89 0.768 -19.745 -4.702 1.00 0.00 C ATOM 1379 O LYS A 89 -0.254 -19.596 -5.372 1.00 0.00 O ATOM 1380 CB LYS A 89 0.889 -22.152 -4.033 1.00 0.00 C ATOM 1381 CG LYS A 89 1.214 -23.162 -2.946 1.00 0.00 C ATOM 1382 CD LYS A 89 1.955 -24.365 -3.505 1.00 0.00 C ATOM 1383 CE LYS A 89 3.453 -24.111 -3.578 1.00 0.00 C ATOM 1384 NZ LYS A 89 3.849 -23.500 -4.877 1.00 0.00 N ATOM 0 H LYS A 89 -0.760 -21.419 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 89 1.670 -20.492 -2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.057 -22.426 -4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.655 -22.205 -4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.821 -22.686 -2.176 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.292 -23.492 -2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.762 -25.236 -2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.575 -24.598 -4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.750 -23.453 -2.762 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.988 -25.051 -3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.752 -23.908 -5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.115 -23.692 -5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.956 -22.472 -4.759 1.00 0.00 H new ATOM 1398 N ALA A 90 1.898 -19.092 -4.951 1.00 0.00 N ATOM 1399 CA ALA A 90 2.005 -18.142 -6.052 1.00 0.00 C ATOM 1400 C ALA A 90 3.461 -17.914 -6.441 1.00 0.00 C ATOM 1401 O ALA A 90 4.372 -18.449 -5.809 1.00 0.00 O ATOM 1402 CB ALA A 90 1.344 -16.824 -5.677 1.00 0.00 C ATOM 0 H ALA A 90 2.753 -19.203 -4.405 1.00 0.00 H new ATOM 0 HA ALA A 90 1.488 -18.563 -6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.431 -16.124 -6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.291 -16.995 -5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.836 -16.407 -4.798 1.00 0.00 H new ATOM 1408 N GLN A 91 3.673 -17.119 -7.484 1.00 0.00 N ATOM 1409 CA GLN A 91 5.020 -16.823 -7.958 1.00 0.00 C ATOM 1410 C GLN A 91 5.980 -16.640 -6.787 1.00 0.00 C ATOM 1411 O GLN A 91 5.704 -15.884 -5.856 1.00 0.00 O ATOM 1412 CB GLN A 91 5.012 -15.565 -8.828 1.00 0.00 C ATOM 1413 CG GLN A 91 4.284 -15.744 -10.150 1.00 0.00 C ATOM 1414 CD GLN A 91 4.841 -16.889 -10.972 1.00 0.00 C ATOM 1415 OE1 GLN A 91 6.052 -17.109 -11.012 1.00 0.00 O ATOM 1416 NE2 GLN A 91 3.958 -17.627 -11.634 1.00 0.00 N ATOM 0 H GLN A 91 2.930 -16.668 -8.017 1.00 0.00 H new ATOM 0 HA GLN A 91 5.362 -17.667 -8.556 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.544 -14.752 -8.272 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.041 -15.265 -9.027 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.226 -15.921 -9.957 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.352 -14.821 -10.726 1.00 0.00 H new ATOM 0 HE21 GLN A 91 2.963 -17.409 -11.573 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.274 -18.412 -12.204 1.00 0.00 H new ATOM 1425 N LYS A 92 7.110 -17.338 -6.841 1.00 0.00 N ATOM 1426 CA LYS A 92 8.113 -17.253 -5.786 1.00 0.00 C ATOM 1427 C LYS A 92 9.058 -16.080 -6.027 1.00 0.00 C ATOM 1428 O LYS A 92 9.284 -15.657 -7.161 1.00 0.00 O ATOM 1429 CB LYS A 92 8.911 -18.556 -5.706 1.00 0.00 C ATOM 1430 CG LYS A 92 8.096 -19.739 -5.212 1.00 0.00 C ATOM 1431 CD LYS A 92 8.985 -20.824 -4.628 1.00 0.00 C ATOM 1432 CE LYS A 92 8.222 -21.702 -3.648 1.00 0.00 C ATOM 1433 NZ LYS A 92 9.136 -22.557 -2.842 1.00 0.00 N ATOM 0 H LYS A 92 7.354 -17.969 -7.605 1.00 0.00 H new ATOM 0 HA LYS A 92 7.596 -17.092 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.311 -18.788 -6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.763 -18.410 -5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.386 -19.403 -4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.513 -20.150 -6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.386 -21.439 -5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.835 -20.366 -4.122 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.631 -21.074 -2.982 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.522 -22.334 -4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.578 -23.140 -2.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.682 -23.175 -3.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.787 -21.954 -2.300 1.00 0.00 H new ATOM 1447 N PRO A 93 9.624 -15.541 -4.937 1.00 0.00 N ATOM 1448 CA PRO A 93 10.555 -14.411 -5.005 1.00 0.00 C ATOM 1449 C PRO A 93 11.892 -14.798 -5.628 1.00 0.00 C ATOM 1450 O PRO A 93 12.092 -15.944 -6.031 1.00 0.00 O ATOM 1451 CB PRO A 93 10.744 -14.018 -3.538 1.00 0.00 C ATOM 1452 CG PRO A 93 10.455 -15.263 -2.772 1.00 0.00 C ATOM 1453 CD PRO A 93 9.400 -15.995 -3.554 1.00 0.00 C ATOM 0 HA PRO A 93 10.172 -13.605 -5.631 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.758 -13.664 -3.350 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.067 -13.212 -3.254 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.353 -15.872 -2.663 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.104 -15.030 -1.767 1.00 0.00 H new ATOM 0 HD2 PRO A 93 9.510 -17.076 -3.463 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.397 -15.746 -3.207 1.00 0.00 H new ATOM 1461 N VAL A 94 12.805 -13.836 -5.705 1.00 0.00 N ATOM 1462 CA VAL A 94 14.124 -14.076 -6.278 1.00 0.00 C ATOM 1463 C VAL A 94 15.226 -13.773 -5.269 1.00 0.00 C ATOM 1464 O VAL A 94 15.220 -12.725 -4.623 1.00 0.00 O ATOM 1465 CB VAL A 94 14.351 -13.224 -7.541 1.00 0.00 C ATOM 1466 CG1 VAL A 94 15.751 -13.448 -8.092 1.00 0.00 C ATOM 1467 CG2 VAL A 94 13.299 -13.541 -8.593 1.00 0.00 C ATOM 0 H VAL A 94 12.655 -12.882 -5.377 1.00 0.00 H new ATOM 0 HA VAL A 94 14.164 -15.131 -6.548 1.00 0.00 H new ATOM 0 HB VAL A 94 14.257 -12.172 -7.270 1.00 0.00 H new ATOM 0 HG11 VAL A 94 15.893 -12.838 -8.984 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.488 -13.167 -7.339 1.00 0.00 H new ATOM 0 HG13 VAL A 94 15.877 -14.500 -8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 94 13.474 -12.930 -9.479 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.359 -14.596 -8.862 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.308 -13.325 -8.193 1.00 0.00 H new ATOM 1477 N LYS A 95 16.172 -14.697 -5.138 1.00 0.00 N ATOM 1478 CA LYS A 95 17.283 -14.529 -4.209 1.00 0.00 C ATOM 1479 C LYS A 95 18.014 -13.215 -4.466 1.00 0.00 C ATOM 1480 O LYS A 95 18.434 -12.939 -5.589 1.00 0.00 O ATOM 1481 CB LYS A 95 18.259 -15.701 -4.332 1.00 0.00 C ATOM 1482 CG LYS A 95 17.743 -16.990 -3.716 1.00 0.00 C ATOM 1483 CD LYS A 95 18.501 -18.199 -4.236 1.00 0.00 C ATOM 1484 CE LYS A 95 17.939 -18.680 -5.565 1.00 0.00 C ATOM 1485 NZ LYS A 95 18.475 -17.894 -6.711 1.00 0.00 N ATOM 0 H LYS A 95 16.191 -15.571 -5.664 1.00 0.00 H new ATOM 0 HA LYS A 95 16.878 -14.506 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 95 18.476 -15.873 -5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 95 19.200 -15.431 -3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 95 17.837 -16.939 -2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 95 16.682 -17.101 -3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 95 19.554 -17.946 -4.356 1.00 0.00 H new ATOM 0 HD3 LYS A 95 18.448 -19.005 -3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 95 18.182 -19.734 -5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 95 16.852 -18.603 -5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.543 -18.505 -7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 17.838 -17.098 -6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 19.419 -17.529 -6.471 1.00 0.00 H new ATOM 1499 N GLU A 96 18.163 -12.411 -3.419 1.00 0.00 N ATOM 1500 CA GLU A 96 18.844 -11.127 -3.533 1.00 0.00 C ATOM 1501 C GLU A 96 20.076 -11.082 -2.633 1.00 0.00 C ATOM 1502 O GLU A 96 20.005 -11.408 -1.449 1.00 0.00 O ATOM 1503 CB GLU A 96 17.892 -9.985 -3.170 1.00 0.00 C ATOM 1504 CG GLU A 96 16.890 -9.658 -4.264 1.00 0.00 C ATOM 1505 CD GLU A 96 15.796 -8.719 -3.791 1.00 0.00 C ATOM 1506 OE1 GLU A 96 14.891 -9.179 -3.065 1.00 0.00 O ATOM 1507 OE2 GLU A 96 15.847 -7.523 -4.149 1.00 0.00 O ATOM 0 H GLU A 96 17.821 -12.626 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 96 19.166 -11.007 -4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 96 17.352 -10.249 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 96 18.477 -9.093 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 96 17.413 -9.206 -5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 96 16.439 -10.582 -4.627 1.00 0.00 H new ATOM 1514 N GLY A 97 21.205 -10.677 -3.205 1.00 0.00 N ATOM 1515 CA GLY A 97 22.437 -10.598 -2.442 1.00 0.00 C ATOM 1516 C GLY A 97 22.428 -9.456 -1.445 1.00 0.00 C ATOM 1517 O GLY A 97 22.916 -8.365 -1.738 1.00 0.00 O ATOM 0 H GLY A 97 21.289 -10.402 -4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 97 22.594 -11.538 -1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 97 23.277 -10.473 -3.125 1.00 0.00 H new ATOM 1521 N GLN A 98 21.871 -9.707 -0.265 1.00 0.00 N ATOM 1522 CA GLN A 98 21.799 -8.690 0.778 1.00 0.00 C ATOM 1523 C GLN A 98 21.306 -9.289 2.090 1.00 0.00 C ATOM 1524 O GLN A 98 20.460 -10.184 2.113 1.00 0.00 O ATOM 1525 CB GLN A 98 20.875 -7.550 0.344 1.00 0.00 C ATOM 1526 CG GLN A 98 19.436 -7.985 0.122 1.00 0.00 C ATOM 1527 CD GLN A 98 18.617 -7.971 1.398 1.00 0.00 C ATOM 1528 OE1 GLN A 98 18.006 -8.974 1.768 1.00 0.00 O ATOM 1529 NE2 GLN A 98 18.602 -6.831 2.078 1.00 0.00 N ATOM 0 H GLN A 98 21.463 -10.606 -0.007 1.00 0.00 H new ATOM 0 HA GLN A 98 22.803 -8.295 0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 98 20.896 -6.767 1.102 1.00 0.00 H new ATOM 0 HB3 GLN A 98 21.260 -7.112 -0.577 1.00 0.00 H new ATOM 0 HG2 GLN A 98 18.970 -7.326 -0.611 1.00 0.00 H new ATOM 0 HG3 GLN A 98 19.426 -8.990 -0.301 1.00 0.00 H new ATOM 0 HE21 GLN A 98 19.123 -6.025 1.734 1.00 0.00 H new ATOM 0 HE22 GLN A 98 18.069 -6.761 2.945 1.00 0.00 H new ATOM 1538 N PRO A 99 21.845 -8.787 3.211 1.00 0.00 N ATOM 1539 CA PRO A 99 21.474 -9.258 4.548 1.00 0.00 C ATOM 1540 C PRO A 99 20.056 -8.853 4.933 1.00 0.00 C ATOM 1541 O PRO A 99 19.326 -8.273 4.129 1.00 0.00 O ATOM 1542 CB PRO A 99 22.493 -8.571 5.461 1.00 0.00 C ATOM 1543 CG PRO A 99 22.908 -7.350 4.715 1.00 0.00 C ATOM 1544 CD PRO A 99 22.858 -7.719 3.258 1.00 0.00 C ATOM 0 HA PRO A 99 21.486 -10.346 4.615 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.052 -8.315 6.424 1.00 0.00 H new ATOM 0 HB3 PRO A 99 23.345 -9.220 5.663 1.00 0.00 H new ATOM 0 HG2 PRO A 99 22.240 -6.516 4.930 1.00 0.00 H new ATOM 0 HG3 PRO A 99 23.911 -7.038 5.004 1.00 0.00 H new ATOM 0 HD2 PRO A 99 22.575 -6.869 2.638 1.00 0.00 H new ATOM 0 HD3 PRO A 99 23.826 -8.067 2.898 1.00 0.00 H new ATOM 1552 N SER A 100 19.671 -9.161 6.168 1.00 0.00 N ATOM 1553 CA SER A 100 18.338 -8.832 6.658 1.00 0.00 C ATOM 1554 C SER A 100 18.301 -8.845 8.183 1.00 0.00 C ATOM 1555 O SER A 100 19.028 -9.590 8.840 1.00 0.00 O ATOM 1556 CB SER A 100 17.309 -9.818 6.102 1.00 0.00 C ATOM 1557 OG SER A 100 16.999 -9.525 4.751 1.00 0.00 O ATOM 0 H SER A 100 20.264 -9.638 6.847 1.00 0.00 H new ATOM 0 HA SER A 100 18.089 -7.828 6.315 1.00 0.00 H new ATOM 0 HB2 SER A 100 17.697 -10.834 6.177 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.401 -9.778 6.703 1.00 0.00 H new ATOM 0 HG SER A 100 17.716 -8.982 4.361 1.00 0.00 H new ATOM 1563 N PRO A 101 17.433 -8.001 8.761 1.00 0.00 N ATOM 1564 CA PRO A 101 17.279 -7.897 10.215 1.00 0.00 C ATOM 1565 C PRO A 101 16.628 -9.136 10.819 1.00 0.00 C ATOM 1566 O PRO A 101 15.511 -9.502 10.454 1.00 0.00 O ATOM 1567 CB PRO A 101 16.371 -6.677 10.389 1.00 0.00 C ATOM 1568 CG PRO A 101 15.607 -6.589 9.113 1.00 0.00 C ATOM 1569 CD PRO A 101 16.535 -7.085 8.039 1.00 0.00 C ATOM 0 HA PRO A 101 18.240 -7.806 10.721 1.00 0.00 H new ATOM 0 HB2 PRO A 101 15.704 -6.798 11.242 1.00 0.00 H new ATOM 0 HB3 PRO A 101 16.953 -5.772 10.565 1.00 0.00 H new ATOM 0 HG2 PRO A 101 14.702 -7.195 9.157 1.00 0.00 H new ATOM 0 HG3 PRO A 101 15.294 -5.564 8.915 1.00 0.00 H new ATOM 0 HD2 PRO A 101 15.993 -7.597 7.244 1.00 0.00 H new ATOM 0 HD3 PRO A 101 17.085 -6.267 7.574 1.00 0.00 H new ATOM 1577 N ALA A 102 17.333 -9.778 11.745 1.00 0.00 N ATOM 1578 CA ALA A 102 16.821 -10.975 12.402 1.00 0.00 C ATOM 1579 C ALA A 102 16.061 -10.620 13.675 1.00 0.00 C ATOM 1580 O ALA A 102 16.623 -10.040 14.604 1.00 0.00 O ATOM 1581 CB ALA A 102 17.961 -11.933 12.715 1.00 0.00 C ATOM 0 H ALA A 102 18.260 -9.489 12.057 1.00 0.00 H new ATOM 0 HA ALA A 102 16.126 -11.465 11.720 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.565 -12.822 13.205 1.00 0.00 H new ATOM 0 HB2 ALA A 102 18.459 -12.221 11.789 1.00 0.00 H new ATOM 0 HB3 ALA A 102 18.677 -11.443 13.375 1.00 0.00 H new ATOM 1587 N ASP A 103 14.780 -10.970 13.710 1.00 0.00 N ATOM 1588 CA ASP A 103 13.942 -10.689 14.870 1.00 0.00 C ATOM 1589 C ASP A 103 13.640 -11.967 15.645 1.00 0.00 C ATOM 1590 O ASP A 103 13.890 -13.071 15.162 1.00 0.00 O ATOM 1591 CB ASP A 103 12.636 -10.022 14.433 1.00 0.00 C ATOM 1592 CG ASP A 103 11.656 -11.008 13.829 1.00 0.00 C ATOM 1593 OD1 ASP A 103 12.108 -11.947 13.142 1.00 0.00 O ATOM 1594 OD2 ASP A 103 10.437 -10.840 14.043 1.00 0.00 O ATOM 0 H ASP A 103 14.299 -11.449 12.948 1.00 0.00 H new ATOM 0 HA ASP A 103 14.487 -10.009 15.525 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.174 -9.536 15.293 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.856 -9.241 13.705 1.00 0.00 H new ATOM 1599 N GLU A 104 13.101 -11.809 16.851 1.00 0.00 N ATOM 1600 CA GLU A 104 12.768 -12.952 17.693 1.00 0.00 C ATOM 1601 C GLU A 104 11.255 -13.129 17.796 1.00 0.00 C ATOM 1602 O GLU A 104 10.502 -12.155 17.781 1.00 0.00 O ATOM 1603 CB GLU A 104 13.368 -12.777 19.090 1.00 0.00 C ATOM 1604 CG GLU A 104 13.691 -14.090 19.782 1.00 0.00 C ATOM 1605 CD GLU A 104 13.963 -13.917 21.264 1.00 0.00 C ATOM 1606 OE1 GLU A 104 15.133 -13.669 21.626 1.00 0.00 O ATOM 1607 OE2 GLU A 104 13.008 -14.028 22.060 1.00 0.00 O ATOM 0 H GLU A 104 12.886 -10.902 17.266 1.00 0.00 H new ATOM 0 HA GLU A 104 13.191 -13.845 17.233 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.279 -12.183 19.013 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.670 -12.212 19.708 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.859 -14.782 19.647 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.562 -14.542 19.307 1.00 0.00 H new ATOM 1614 N LYS A 105 10.818 -14.379 17.899 1.00 0.00 N ATOM 1615 CA LYS A 105 9.396 -14.686 18.005 1.00 0.00 C ATOM 1616 C LYS A 105 8.864 -14.331 19.390 1.00 0.00 C ATOM 1617 O LYS A 105 9.598 -14.373 20.377 1.00 0.00 O ATOM 1618 CB LYS A 105 9.151 -16.169 17.717 1.00 0.00 C ATOM 1619 CG LYS A 105 9.783 -17.099 18.738 1.00 0.00 C ATOM 1620 CD LYS A 105 9.439 -18.552 18.457 1.00 0.00 C ATOM 1621 CE LYS A 105 8.011 -18.877 18.871 1.00 0.00 C ATOM 1622 NZ LYS A 105 7.021 -18.409 17.861 1.00 0.00 N ATOM 0 H LYS A 105 11.428 -15.197 17.911 1.00 0.00 H new ATOM 0 HA LYS A 105 8.864 -14.086 17.267 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.077 -16.352 17.687 1.00 0.00 H new ATOM 0 HB3 LYS A 105 9.543 -16.408 16.728 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.865 -16.972 18.726 1.00 0.00 H new ATOM 0 HG3 LYS A 105 9.441 -16.830 19.737 1.00 0.00 H new ATOM 0 HD2 LYS A 105 9.567 -18.758 17.394 1.00 0.00 H new ATOM 0 HD3 LYS A 105 10.131 -19.201 18.993 1.00 0.00 H new ATOM 0 HE2 LYS A 105 7.909 -19.953 19.008 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.797 -18.411 19.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.493 -17.598 18.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.519 -18.122 16.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.359 -19.180 17.641 1.00 0.00 H new ATOM 1636 N GLY A 106 7.583 -13.984 19.456 1.00 0.00 N ATOM 1637 CA GLY A 106 6.975 -13.629 20.725 1.00 0.00 C ATOM 1638 C GLY A 106 5.632 -12.946 20.554 1.00 0.00 C ATOM 1639 O GLY A 106 5.533 -11.914 19.892 1.00 0.00 O ATOM 0 H GLY A 106 6.955 -13.942 18.653 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.848 -14.528 21.327 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.647 -12.970 21.275 1.00 0.00 H new ATOM 1643 N ASN A 107 4.596 -13.525 21.151 1.00 0.00 N ATOM 1644 CA ASN A 107 3.251 -12.967 21.060 1.00 0.00 C ATOM 1645 C ASN A 107 2.296 -13.692 22.003 1.00 0.00 C ATOM 1646 O ASN A 107 2.679 -14.649 22.677 1.00 0.00 O ATOM 1647 CB ASN A 107 2.735 -13.060 19.623 1.00 0.00 C ATOM 1648 CG ASN A 107 3.162 -14.343 18.936 1.00 0.00 C ATOM 1649 OD1 ASN A 107 3.370 -15.368 19.585 1.00 0.00 O ATOM 1650 ND2 ASN A 107 3.297 -14.291 17.616 1.00 0.00 N ATOM 0 H ASN A 107 4.661 -14.380 21.703 1.00 0.00 H new ATOM 0 HA ASN A 107 3.298 -11.919 21.355 1.00 0.00 H new ATOM 0 HB2 ASN A 107 1.647 -12.998 19.626 1.00 0.00 H new ATOM 0 HB3 ASN A 107 3.101 -12.207 19.053 1.00 0.00 H new ATOM 0 HD21 ASN A 107 3.584 -15.123 17.100 1.00 0.00 H new ATOM 0 HD22 ASN A 107 3.114 -13.420 17.119 1.00 0.00 H new ATOM 1657 N ASP A 108 1.051 -13.231 22.045 1.00 0.00 N ATOM 1658 CA ASP A 108 0.040 -13.836 22.903 1.00 0.00 C ATOM 1659 C ASP A 108 -1.133 -14.357 22.078 1.00 0.00 C ATOM 1660 O ASP A 108 -1.891 -13.580 21.499 1.00 0.00 O ATOM 1661 CB ASP A 108 -0.458 -12.821 23.934 1.00 0.00 C ATOM 1662 CG ASP A 108 -1.355 -13.452 24.981 1.00 0.00 C ATOM 1663 OD1 ASP A 108 -1.009 -14.544 25.480 1.00 0.00 O ATOM 1664 OD2 ASP A 108 -2.403 -12.854 25.302 1.00 0.00 O ATOM 0 H ASP A 108 0.718 -12.440 21.494 1.00 0.00 H new ATOM 0 HA ASP A 108 0.497 -14.678 23.423 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.397 -12.356 24.425 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -1.003 -12.027 23.424 1.00 0.00 H new ATOM 1669 N SER A 109 -1.273 -15.678 22.029 1.00 0.00 N ATOM 1670 CA SER A 109 -2.350 -16.304 21.270 1.00 0.00 C ATOM 1671 C SER A 109 -3.696 -16.086 21.955 1.00 0.00 C ATOM 1672 O SER A 109 -4.023 -16.757 22.934 1.00 0.00 O ATOM 1673 CB SER A 109 -2.085 -17.802 21.109 1.00 0.00 C ATOM 1674 OG SER A 109 -3.087 -18.415 20.317 1.00 0.00 O ATOM 0 H SER A 109 -0.655 -16.335 22.505 1.00 0.00 H new ATOM 0 HA SER A 109 -2.384 -15.839 20.285 1.00 0.00 H new ATOM 0 HB2 SER A 109 -1.109 -17.954 20.648 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.052 -18.276 22.090 1.00 0.00 H new ATOM 0 HG SER A 109 -2.894 -19.372 20.228 1.00 0.00 H new ATOM 1680 N ASP A 110 -4.471 -15.142 21.433 1.00 0.00 N ATOM 1681 CA ASP A 110 -5.782 -14.834 21.993 1.00 0.00 C ATOM 1682 C ASP A 110 -6.885 -15.548 21.218 1.00 0.00 C ATOM 1683 O ASP A 110 -6.885 -15.561 19.988 1.00 0.00 O ATOM 1684 CB ASP A 110 -6.026 -13.324 21.976 1.00 0.00 C ATOM 1685 CG ASP A 110 -4.843 -12.541 22.510 1.00 0.00 C ATOM 1686 OD1 ASP A 110 -4.678 -12.485 23.747 1.00 0.00 O ATOM 1687 OD2 ASP A 110 -4.082 -11.984 21.692 1.00 0.00 O ATOM 0 H ASP A 110 -4.215 -14.577 20.623 1.00 0.00 H new ATOM 0 HA ASP A 110 -5.801 -15.186 23.025 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -6.239 -13.005 20.956 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.909 -13.095 22.573 1.00 0.00 H new ATOM 1692 N GLY A 111 -7.825 -16.143 21.947 1.00 0.00 N ATOM 1693 CA GLY A 111 -8.920 -16.852 21.312 1.00 0.00 C ATOM 1694 C GLY A 111 -10.276 -16.365 21.780 1.00 0.00 C ATOM 1695 O GLY A 111 -10.425 -15.924 22.920 1.00 0.00 O ATOM 0 H GLY A 111 -7.847 -16.146 22.967 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.848 -16.732 20.231 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.828 -17.918 21.521 1.00 0.00 H new ATOM 1699 N SER A 112 -11.268 -16.442 20.899 1.00 0.00 N ATOM 1700 CA SER A 112 -12.618 -16.000 21.227 1.00 0.00 C ATOM 1701 C SER A 112 -13.553 -17.192 21.402 1.00 0.00 C ATOM 1702 O SER A 112 -14.157 -17.372 22.458 1.00 0.00 O ATOM 1703 CB SER A 112 -13.154 -15.074 20.133 1.00 0.00 C ATOM 1704 OG SER A 112 -14.319 -14.393 20.567 1.00 0.00 O ATOM 0 H SER A 112 -11.162 -16.806 19.952 1.00 0.00 H new ATOM 0 HA SER A 112 -12.575 -15.453 22.169 1.00 0.00 H new ATOM 0 HB2 SER A 112 -12.387 -14.350 19.857 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.380 -15.655 19.239 1.00 0.00 H new ATOM 0 HG SER A 112 -14.641 -13.807 19.851 1.00 0.00 H new ATOM 1710 N GLY A 113 -13.667 -18.006 20.356 1.00 0.00 N ATOM 1711 CA GLY A 113 -14.529 -19.172 20.414 1.00 0.00 C ATOM 1712 C GLY A 113 -15.554 -19.190 19.296 1.00 0.00 C ATOM 1713 O GLY A 113 -15.401 -18.522 18.274 1.00 0.00 O ATOM 0 H GLY A 113 -13.178 -17.878 19.470 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.920 -20.074 20.359 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -15.043 -19.193 21.375 1.00 0.00 H new ATOM 1717 N PRO A 114 -16.627 -19.972 19.485 1.00 0.00 N ATOM 1718 CA PRO A 114 -17.701 -20.095 18.495 1.00 0.00 C ATOM 1719 C PRO A 114 -18.529 -18.820 18.377 1.00 0.00 C ATOM 1720 O PRO A 114 -18.223 -17.809 19.009 1.00 0.00 O ATOM 1721 CB PRO A 114 -18.558 -21.240 19.042 1.00 0.00 C ATOM 1722 CG PRO A 114 -18.302 -21.238 20.509 1.00 0.00 C ATOM 1723 CD PRO A 114 -16.875 -20.796 20.680 1.00 0.00 C ATOM 0 HA PRO A 114 -17.313 -20.276 17.493 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -19.614 -21.083 18.824 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -18.279 -22.193 18.593 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -18.984 -20.561 21.023 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -18.457 -22.230 20.933 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -16.739 -20.224 21.598 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -16.194 -21.646 20.730 1.00 0.00 H new ATOM 1731 N SER A 115 -19.579 -18.875 17.564 1.00 0.00 N ATOM 1732 CA SER A 115 -20.450 -17.723 17.361 1.00 0.00 C ATOM 1733 C SER A 115 -21.641 -17.768 18.312 1.00 0.00 C ATOM 1734 O SER A 115 -22.372 -18.757 18.364 1.00 0.00 O ATOM 1735 CB SER A 115 -20.940 -17.677 15.912 1.00 0.00 C ATOM 1736 OG SER A 115 -21.982 -18.613 15.697 1.00 0.00 O ATOM 0 H SER A 115 -19.847 -19.705 17.035 1.00 0.00 H new ATOM 0 HA SER A 115 -19.874 -16.822 17.571 1.00 0.00 H new ATOM 0 HB2 SER A 115 -21.294 -16.673 15.676 1.00 0.00 H new ATOM 0 HB3 SER A 115 -20.111 -17.890 15.237 1.00 0.00 H new ATOM 0 HG SER A 115 -22.350 -18.897 16.560 1.00 0.00 H new ATOM 1742 N SER A 116 -21.831 -16.688 19.064 1.00 0.00 N ATOM 1743 CA SER A 116 -22.932 -16.605 20.017 1.00 0.00 C ATOM 1744 C SER A 116 -24.262 -16.411 19.296 1.00 0.00 C ATOM 1745 O SER A 116 -25.205 -17.176 19.493 1.00 0.00 O ATOM 1746 CB SER A 116 -22.698 -15.454 20.998 1.00 0.00 C ATOM 1747 OG SER A 116 -21.524 -15.667 21.763 1.00 0.00 O ATOM 0 H SER A 116 -21.237 -15.859 19.032 1.00 0.00 H new ATOM 0 HA SER A 116 -22.973 -17.543 20.570 1.00 0.00 H new ATOM 0 HB2 SER A 116 -22.613 -14.516 20.449 1.00 0.00 H new ATOM 0 HB3 SER A 116 -23.557 -15.358 21.663 1.00 0.00 H new ATOM 0 HG SER A 116 -21.396 -14.917 22.381 1.00 0.00 H new ATOM 1753 N GLY A 117 -24.329 -15.380 18.458 1.00 0.00 N ATOM 1754 CA GLY A 117 -25.547 -15.103 17.720 1.00 0.00 C ATOM 1755 C GLY A 117 -25.296 -14.922 16.236 1.00 0.00 C ATOM 1756 O GLY A 117 -26.226 -14.671 15.469 1.00 0.00 O ATOM 0 H GLY A 117 -23.562 -14.733 18.278 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -26.253 -15.920 17.869 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -26.013 -14.202 18.119 1.00 0.00 H new TER 1760 GLY A 117