USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 829 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 Single : A 1 MET CE :methyl -165:sc= -0.837 (180deg=-1.14) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0.645 (180deg=0.576) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.739 K(o=-0.74,f=-2.5) USER MOD Single : A 11 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.4) USER MOD Single : A 15 GLN : amide:sc=-0.00628 X(o=-0.0063,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 157:sc= -0.0101 (180deg=-0.683) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -156:sc= -0.269 (180deg=-0.886) USER MOD Single : A 44 ASN : amide:sc= -0.13 K(o=-0.13,f=-2.2!) USER MOD Single : A 46 ASN : amide:sc= 0.0778 K(o=0.078,f=-4.4!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.262 K(o=-0.26,f=-2.4!) USER MOD Single : A 54 THR OG1 : rot 65:sc= 1.3 USER MOD Single : A 57 GLN : amide:sc= -0.0893 K(o=-0.089,f=-1) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 1.18 (180deg=1.16) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -152:sc= -0.0673 (180deg=-0.591) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.09! C(o=-1.1!,f=-2.4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -161:sc= -0.116 (180deg=-0.127) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.546 -11.136 -9.239 1.00 0.00 N ATOM 2 CA MET A 1 -11.831 -11.573 -8.052 1.00 0.00 C ATOM 3 C MET A 1 -12.804 -11.978 -6.943 1.00 0.00 C ATOM 4 O MET A 1 -14.002 -11.714 -7.036 1.00 0.00 O ATOM 5 CB MET A 1 -10.930 -10.440 -7.552 1.00 0.00 C ATOM 6 CG MET A 1 -9.500 -10.608 -8.071 1.00 0.00 C ATOM 7 SD MET A 1 -9.515 -10.827 -9.842 1.00 0.00 S ATOM 8 CE MET A 1 -9.913 -9.164 -10.357 1.00 0.00 C ATOM 0 H1 MET A 1 -11.864 -10.899 -9.988 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.171 -11.899 -9.569 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.116 -10.296 -9.012 1.00 0.00 H new ATOM 0 HA MET A 1 -11.227 -12.441 -8.314 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.330 -9.481 -7.880 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.926 -10.427 -6.462 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.904 -9.733 -7.810 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.030 -11.468 -7.594 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.223 -9.171 -11.402 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.724 -8.777 -9.741 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.035 -8.528 -10.243 1.00 0.00 H new ATOM 18 N ASP A 2 -12.253 -12.613 -5.919 1.00 0.00 N ATOM 19 CA ASP A 2 -13.058 -13.057 -4.793 1.00 0.00 C ATOM 20 C ASP A 2 -12.463 -12.502 -3.497 1.00 0.00 C ATOM 21 O ASP A 2 -11.527 -13.076 -2.944 1.00 0.00 O ATOM 22 CB ASP A 2 -13.069 -14.583 -4.693 1.00 0.00 C ATOM 23 CG ASP A 2 -12.708 -15.319 -5.985 1.00 0.00 C ATOM 24 OD1 ASP A 2 -13.590 -15.749 -6.743 1.00 0.00 O ATOM 25 OD2 ASP A 2 -11.443 -15.446 -6.205 1.00 0.00 O ATOM 0 H ASP A 2 -11.259 -12.831 -5.845 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.076 -12.698 -4.943 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.371 -14.886 -3.913 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.061 -14.904 -4.375 1.00 0.00 H new ATOM 31 N ILE A 3 -13.033 -11.393 -3.050 1.00 0.00 N ATOM 32 CA ILE A 3 -12.572 -10.755 -1.828 1.00 0.00 C ATOM 33 C ILE A 3 -13.659 -10.867 -0.757 1.00 0.00 C ATOM 34 O ILE A 3 -14.843 -10.725 -1.053 1.00 0.00 O ATOM 35 CB ILE A 3 -12.131 -9.317 -2.109 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.637 -9.255 -2.435 1.00 0.00 C ATOM 37 CG2 ILE A 3 -12.504 -8.393 -0.948 1.00 0.00 C ATOM 38 CD1 ILE A 3 -10.221 -7.837 -2.831 1.00 0.00 C ATOM 0 H ILE A 3 -13.810 -10.920 -3.512 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.690 -11.265 -1.441 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.667 -8.961 -2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.059 -9.579 -1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.409 -9.945 -3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.180 -7.377 -1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.585 -8.406 -0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -12.014 -8.737 -0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.155 -7.820 -3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.784 -7.525 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.427 -7.154 -2.007 1.00 0.00 H new ATOM 50 N SER A 4 -13.215 -11.122 0.465 1.00 0.00 N ATOM 51 CA SER A 4 -14.136 -11.255 1.582 1.00 0.00 C ATOM 52 C SER A 4 -13.700 -10.342 2.731 1.00 0.00 C ATOM 53 O SER A 4 -12.553 -10.396 3.170 1.00 0.00 O ATOM 54 CB SER A 4 -14.216 -12.706 2.060 1.00 0.00 C ATOM 55 OG SER A 4 -15.564 -13.146 2.204 1.00 0.00 O ATOM 0 H SER A 4 -12.231 -11.240 0.706 1.00 0.00 H new ATOM 0 HA SER A 4 -15.128 -10.956 1.244 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.698 -13.351 1.350 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.699 -12.802 3.015 1.00 0.00 H new ATOM 0 HG SER A 4 -15.573 -14.077 2.509 1.00 0.00 H new ATOM 61 N ILE A 5 -14.639 -9.523 3.182 1.00 0.00 N ATOM 62 CA ILE A 5 -14.367 -8.600 4.270 1.00 0.00 C ATOM 63 C ILE A 5 -14.451 -9.348 5.602 1.00 0.00 C ATOM 64 O ILE A 5 -15.430 -10.047 5.864 1.00 0.00 O ATOM 65 CB ILE A 5 -15.294 -7.385 4.187 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.212 -6.726 2.809 1.00 0.00 C ATOM 67 CG2 ILE A 5 -15.002 -6.395 5.315 1.00 0.00 C ATOM 68 CD1 ILE A 5 -13.840 -6.088 2.588 1.00 0.00 C ATOM 0 H ILE A 5 -15.589 -9.480 2.813 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.354 -8.205 4.190 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.320 -7.728 4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -15.400 -7.469 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -15.989 -5.967 2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -15.674 -5.541 5.233 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.153 -6.885 6.277 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -13.970 -6.053 5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.808 -5.627 1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.665 -5.328 3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.067 -6.854 2.656 1.00 0.00 H new ATOM 80 N ILE A 6 -13.414 -9.177 6.407 1.00 0.00 N ATOM 81 CA ILE A 6 -13.359 -9.828 7.705 1.00 0.00 C ATOM 82 C ILE A 6 -13.933 -8.888 8.767 1.00 0.00 C ATOM 83 O ILE A 6 -14.892 -9.234 9.455 1.00 0.00 O ATOM 84 CB ILE A 6 -11.935 -10.301 8.007 1.00 0.00 C ATOM 85 CG1 ILE A 6 -11.406 -11.198 6.886 1.00 0.00 C ATOM 86 CG2 ILE A 6 -11.864 -10.988 9.372 1.00 0.00 C ATOM 87 CD1 ILE A 6 -11.986 -12.609 6.992 1.00 0.00 C ATOM 0 H ILE A 6 -12.605 -8.597 6.186 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.976 -10.727 7.707 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.287 -9.426 8.052 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.664 -10.767 5.919 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.318 -11.244 6.935 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -10.842 -11.315 9.562 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.172 -10.287 10.148 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.528 -11.852 9.379 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.594 -13.225 6.183 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.706 -13.046 7.950 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.072 -12.562 6.918 1.00 0.00 H new ATOM 99 N SER A 7 -13.321 -7.717 8.867 1.00 0.00 N ATOM 100 CA SER A 7 -13.759 -6.725 9.834 1.00 0.00 C ATOM 101 C SER A 7 -13.765 -5.336 9.192 1.00 0.00 C ATOM 102 O SER A 7 -13.053 -5.095 8.218 1.00 0.00 O ATOM 103 CB SER A 7 -12.864 -6.731 11.075 1.00 0.00 C ATOM 104 OG SER A 7 -11.525 -7.108 10.765 1.00 0.00 O ATOM 0 H SER A 7 -12.526 -7.433 8.295 1.00 0.00 H new ATOM 0 HA SER A 7 -14.771 -6.979 10.148 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.866 -5.740 11.528 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.273 -7.420 11.814 1.00 0.00 H new ATOM 0 HG SER A 7 -10.985 -7.098 11.583 1.00 0.00 H new ATOM 110 N ASP A 8 -14.578 -4.458 9.763 1.00 0.00 N ATOM 111 CA ASP A 8 -14.686 -3.100 9.258 1.00 0.00 C ATOM 112 C ASP A 8 -14.627 -2.118 10.431 1.00 0.00 C ATOM 113 O ASP A 8 -15.655 -1.783 11.017 1.00 0.00 O ATOM 114 CB ASP A 8 -16.014 -2.887 8.530 1.00 0.00 C ATOM 115 CG ASP A 8 -17.262 -3.063 9.397 1.00 0.00 C ATOM 116 OD1 ASP A 8 -17.347 -3.991 10.215 1.00 0.00 O ATOM 117 OD2 ASP A 8 -18.188 -2.185 9.205 1.00 0.00 O ATOM 0 H ASP A 8 -15.168 -4.661 10.570 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.863 -2.932 8.563 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.022 -1.882 8.107 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.069 -3.585 7.694 1.00 0.00 H new ATOM 123 N ARG A 9 -13.413 -1.687 10.739 1.00 0.00 N ATOM 124 CA ARG A 9 -13.206 -0.751 11.831 1.00 0.00 C ATOM 125 C ARG A 9 -13.129 0.681 11.296 1.00 0.00 C ATOM 126 O ARG A 9 -12.797 0.895 10.130 1.00 0.00 O ATOM 127 CB ARG A 9 -11.922 -1.072 12.596 1.00 0.00 C ATOM 128 CG ARG A 9 -12.223 -1.881 13.858 1.00 0.00 C ATOM 129 CD ARG A 9 -11.805 -1.115 15.115 1.00 0.00 C ATOM 130 NE ARG A 9 -11.081 -2.015 16.040 1.00 0.00 N ATOM 131 CZ ARG A 9 -10.740 -1.686 17.305 1.00 0.00 C ATOM 132 NH1 ARG A 9 -11.055 -0.473 17.805 1.00 0.00 N ATOM 133 NH2 ARG A 9 -10.093 -2.568 18.043 1.00 0.00 N ATOM 0 H ARG A 9 -12.562 -1.969 10.252 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.053 -0.843 12.511 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.243 -1.633 11.954 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.414 -0.146 12.866 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.288 -2.107 13.903 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.696 -2.834 13.817 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.169 -0.272 14.843 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.685 -0.704 15.609 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.823 -2.942 15.701 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.554 0.203 17.227 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.794 -0.232 18.761 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.858 -3.482 17.656 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.828 -2.336 19.000 1.00 0.00 H new ATOM 146 N ASN A 10 -13.440 1.624 12.172 1.00 0.00 N ATOM 147 CA ASN A 10 -13.410 3.029 11.802 1.00 0.00 C ATOM 148 C ASN A 10 -12.642 3.816 12.867 1.00 0.00 C ATOM 149 O ASN A 10 -12.865 3.629 14.062 1.00 0.00 O ATOM 150 CB ASN A 10 -14.823 3.606 11.715 1.00 0.00 C ATOM 151 CG ASN A 10 -14.792 5.136 11.720 1.00 0.00 C ATOM 152 OD1 ASN A 10 -13.893 5.767 11.188 1.00 0.00 O ATOM 153 ND2 ASN A 10 -15.822 5.696 12.349 1.00 0.00 N ATOM 0 H ASN A 10 -13.714 1.443 13.138 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.927 3.111 10.828 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.309 3.252 10.806 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.418 3.248 12.555 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.893 6.712 12.407 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.541 5.109 12.773 1.00 0.00 H new ATOM 160 N ASN A 11 -11.754 4.679 12.395 1.00 0.00 N ATOM 161 CA ASN A 11 -10.953 5.494 13.292 1.00 0.00 C ATOM 162 C ASN A 11 -11.118 6.969 12.917 1.00 0.00 C ATOM 163 O ASN A 11 -10.379 7.486 12.081 1.00 0.00 O ATOM 164 CB ASN A 11 -9.469 5.141 13.179 1.00 0.00 C ATOM 165 CG ASN A 11 -9.282 3.665 12.822 1.00 0.00 C ATOM 166 OD1 ASN A 11 -8.555 3.308 11.910 1.00 0.00 O ATOM 167 ND2 ASN A 11 -9.978 2.830 13.588 1.00 0.00 N ATOM 0 H ASN A 11 -11.572 4.831 11.403 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.292 5.307 14.311 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.000 5.765 12.418 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.967 5.357 14.122 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.922 1.824 13.428 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.568 3.195 14.335 1.00 0.00 H new ATOM 174 N PRO A 12 -12.117 7.620 13.570 1.00 0.00 N ATOM 175 CA PRO A 12 -12.387 9.024 13.314 1.00 0.00 C ATOM 176 C PRO A 12 -11.331 9.915 13.970 1.00 0.00 C ATOM 177 O PRO A 12 -10.852 10.869 13.359 1.00 0.00 O ATOM 178 CB PRO A 12 -13.787 9.261 13.860 1.00 0.00 C ATOM 179 CG PRO A 12 -14.062 8.109 14.812 1.00 0.00 C ATOM 180 CD PRO A 12 -13.012 7.039 14.567 1.00 0.00 C ATOM 0 HA PRO A 12 -12.339 9.275 12.254 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.848 10.218 14.377 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -14.521 9.286 13.055 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -14.024 8.451 15.846 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -15.062 7.707 14.646 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.477 6.792 15.484 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.464 6.116 14.204 1.00 0.00 H new ATOM 188 N LEU A 13 -11.000 9.573 15.206 1.00 0.00 N ATOM 189 CA LEU A 13 -10.008 10.329 15.953 1.00 0.00 C ATOM 190 C LEU A 13 -8.858 10.713 15.019 1.00 0.00 C ATOM 191 O LEU A 13 -8.791 11.845 14.545 1.00 0.00 O ATOM 192 CB LEU A 13 -9.561 9.551 17.191 1.00 0.00 C ATOM 193 CG LEU A 13 -10.634 9.312 18.256 1.00 0.00 C ATOM 194 CD1 LEU A 13 -11.188 7.889 18.166 1.00 0.00 C ATOM 195 CD2 LEU A 13 -10.100 9.631 19.654 1.00 0.00 C ATOM 0 H LEU A 13 -11.401 8.782 15.710 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.439 11.257 16.328 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.175 8.584 16.868 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.732 10.087 17.653 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.463 9.994 18.064 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.948 7.745 18.934 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.631 7.733 17.182 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.380 7.174 18.318 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.882 9.453 20.392 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.244 8.992 19.871 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.793 10.676 19.696 1.00 0.00 H new ATOM 207 N LEU A 14 -7.981 9.748 14.785 1.00 0.00 N ATOM 208 CA LEU A 14 -6.838 9.971 13.917 1.00 0.00 C ATOM 209 C LEU A 14 -7.329 10.280 12.501 1.00 0.00 C ATOM 210 O LEU A 14 -6.560 10.748 11.663 1.00 0.00 O ATOM 211 CB LEU A 14 -5.872 8.785 13.988 1.00 0.00 C ATOM 212 CG LEU A 14 -5.245 8.512 15.356 1.00 0.00 C ATOM 213 CD1 LEU A 14 -4.729 7.073 15.445 1.00 0.00 C ATOM 214 CD2 LEU A 14 -4.152 9.534 15.673 1.00 0.00 C ATOM 0 H LEU A 14 -8.039 8.810 15.181 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.269 10.838 14.253 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.404 7.889 13.669 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.070 8.952 13.269 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.019 8.624 16.115 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.288 6.905 16.427 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.557 6.380 15.295 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.974 6.909 14.676 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.723 9.316 16.651 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.371 9.479 14.914 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.582 10.536 15.680 1.00 0.00 H new ATOM 226 N GLN A 15 -8.606 10.006 12.280 1.00 0.00 N ATOM 227 CA GLN A 15 -9.209 10.249 10.981 1.00 0.00 C ATOM 228 C GLN A 15 -8.729 9.206 9.969 1.00 0.00 C ATOM 229 O GLN A 15 -8.547 9.515 8.792 1.00 0.00 O ATOM 230 CB GLN A 15 -8.905 11.667 10.492 1.00 0.00 C ATOM 231 CG GLN A 15 -10.180 12.509 10.423 1.00 0.00 C ATOM 232 CD GLN A 15 -9.931 13.927 10.941 1.00 0.00 C ATOM 233 OE1 GLN A 15 -9.956 14.898 10.204 1.00 0.00 O ATOM 234 NE2 GLN A 15 -9.689 13.989 12.248 1.00 0.00 N ATOM 0 H GLN A 15 -9.240 9.618 12.979 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.291 10.158 11.082 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.188 12.141 11.163 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.440 11.624 9.507 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.536 12.552 9.394 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.965 12.035 11.013 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.683 13.136 12.807 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.509 14.890 12.691 1.00 0.00 H new ATOM 243 N ARG A 16 -8.539 7.992 10.464 1.00 0.00 N ATOM 244 CA ARG A 16 -8.084 6.901 9.618 1.00 0.00 C ATOM 245 C ARG A 16 -9.140 5.796 9.565 1.00 0.00 C ATOM 246 O ARG A 16 -10.135 5.846 10.288 1.00 0.00 O ATOM 247 CB ARG A 16 -6.768 6.316 10.134 1.00 0.00 C ATOM 248 CG ARG A 16 -5.791 7.427 10.528 1.00 0.00 C ATOM 249 CD ARG A 16 -5.012 7.928 9.309 1.00 0.00 C ATOM 250 NE ARG A 16 -5.683 9.115 8.734 1.00 0.00 N ATOM 251 CZ ARG A 16 -5.043 10.092 8.056 1.00 0.00 C ATOM 252 NH1 ARG A 16 -3.708 10.030 7.863 1.00 0.00 N ATOM 253 NH2 ARG A 16 -5.742 11.108 7.585 1.00 0.00 N ATOM 0 H ARG A 16 -8.692 7.739 11.440 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.922 7.302 8.617 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.963 5.676 10.995 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.319 5.688 9.365 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.338 8.254 10.980 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.096 7.055 11.281 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.992 8.181 9.598 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.945 7.139 8.560 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.692 9.201 8.857 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.176 9.241 8.230 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.232 10.772 7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.750 11.147 7.735 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.274 11.854 7.071 1.00 0.00 H new ATOM 266 N ARG A 17 -8.888 4.821 8.702 1.00 0.00 N ATOM 267 CA ARG A 17 -9.804 3.705 8.545 1.00 0.00 C ATOM 268 C ARG A 17 -9.028 2.390 8.453 1.00 0.00 C ATOM 269 O ARG A 17 -8.117 2.259 7.636 1.00 0.00 O ATOM 270 CB ARG A 17 -10.665 3.871 7.292 1.00 0.00 C ATOM 271 CG ARG A 17 -12.124 3.512 7.577 1.00 0.00 C ATOM 272 CD ARG A 17 -13.043 4.710 7.327 1.00 0.00 C ATOM 273 NE ARG A 17 -14.025 4.382 6.269 1.00 0.00 N ATOM 274 CZ ARG A 17 -15.173 5.062 6.065 1.00 0.00 C ATOM 275 NH1 ARG A 17 -15.492 6.116 6.845 1.00 0.00 N ATOM 276 NH2 ARG A 17 -15.977 4.683 5.090 1.00 0.00 N ATOM 0 H ARG A 17 -8.062 4.782 8.105 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.455 3.685 9.419 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.603 4.900 6.937 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.280 3.235 6.495 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.427 2.678 6.944 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.225 3.181 8.611 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.563 4.978 8.247 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.452 5.577 7.030 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.821 3.593 5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.864 6.404 7.595 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.361 6.625 6.684 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.727 3.887 4.504 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.848 5.186 4.923 1.00 0.00 H new ATOM 289 N GLU A 18 -9.415 1.449 9.301 1.00 0.00 N ATOM 290 CA GLU A 18 -8.766 0.150 9.325 1.00 0.00 C ATOM 291 C GLU A 18 -9.783 -0.956 9.034 1.00 0.00 C ATOM 292 O GLU A 18 -10.623 -1.269 9.877 1.00 0.00 O ATOM 293 CB GLU A 18 -8.065 -0.089 10.664 1.00 0.00 C ATOM 294 CG GLU A 18 -6.754 0.697 10.743 1.00 0.00 C ATOM 295 CD GLU A 18 -6.006 0.386 12.040 1.00 0.00 C ATOM 296 OE1 GLU A 18 -6.625 -0.049 13.023 1.00 0.00 O ATOM 297 OE2 GLU A 18 -4.737 0.611 12.005 1.00 0.00 O ATOM 0 H GLU A 18 -10.171 1.561 9.977 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.004 0.132 8.546 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.722 0.209 11.481 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.864 -1.153 10.789 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.125 0.449 9.888 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.962 1.765 10.686 1.00 0.00 H new ATOM 305 N ILE A 19 -9.674 -1.518 7.840 1.00 0.00 N ATOM 306 CA ILE A 19 -10.573 -2.582 7.428 1.00 0.00 C ATOM 307 C ILE A 19 -9.752 -3.800 6.997 1.00 0.00 C ATOM 308 O ILE A 19 -8.854 -3.685 6.166 1.00 0.00 O ATOM 309 CB ILE A 19 -11.540 -2.081 6.353 1.00 0.00 C ATOM 310 CG1 ILE A 19 -12.358 -0.893 6.862 1.00 0.00 C ATOM 311 CG2 ILE A 19 -12.433 -3.216 5.846 1.00 0.00 C ATOM 312 CD1 ILE A 19 -13.605 -0.678 6.004 1.00 0.00 C ATOM 0 H ILE A 19 -8.976 -1.256 7.144 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.198 -2.897 8.264 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.954 -1.729 5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.650 -1.065 7.898 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.744 0.008 6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.111 -2.833 5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.813 -4.004 5.418 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.013 -3.621 6.675 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.168 0.173 6.388 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.308 -0.482 4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.229 -1.571 6.038 1.00 0.00 H new ATOM 324 N LYS A 20 -10.092 -4.940 7.583 1.00 0.00 N ATOM 325 CA LYS A 20 -9.396 -6.176 7.271 1.00 0.00 C ATOM 326 C LYS A 20 -10.269 -7.026 6.345 1.00 0.00 C ATOM 327 O LYS A 20 -11.492 -7.047 6.484 1.00 0.00 O ATOM 328 CB LYS A 20 -8.980 -6.897 8.556 1.00 0.00 C ATOM 329 CG LYS A 20 -7.563 -7.459 8.434 1.00 0.00 C ATOM 330 CD LYS A 20 -7.586 -8.893 7.901 1.00 0.00 C ATOM 331 CE LYS A 20 -8.481 -9.784 8.764 1.00 0.00 C ATOM 332 NZ LYS A 20 -7.770 -11.029 9.134 1.00 0.00 N ATOM 0 H LYS A 20 -10.839 -5.033 8.271 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.469 -5.967 6.736 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.030 -6.206 9.398 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.679 -7.706 8.766 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.974 -6.829 7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.074 -7.437 9.408 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.947 -8.897 6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.573 -9.295 7.885 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.779 -9.247 9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.394 -10.027 8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.194 -11.428 9.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.849 -11.717 8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.767 -10.817 9.308 1.00 0.00 H new ATOM 345 N PHE A 21 -9.608 -7.707 5.420 1.00 0.00 N ATOM 346 CA PHE A 21 -10.308 -8.556 4.472 1.00 0.00 C ATOM 347 C PHE A 21 -9.357 -9.579 3.846 1.00 0.00 C ATOM 348 O PHE A 21 -8.172 -9.611 4.173 1.00 0.00 O ATOM 349 CB PHE A 21 -10.852 -7.643 3.371 1.00 0.00 C ATOM 350 CG PHE A 21 -9.781 -7.111 2.419 1.00 0.00 C ATOM 351 CD1 PHE A 21 -9.208 -5.899 2.649 1.00 0.00 C ATOM 352 CD2 PHE A 21 -9.400 -7.849 1.341 1.00 0.00 C ATOM 353 CE1 PHE A 21 -8.214 -5.404 1.764 1.00 0.00 C ATOM 354 CE2 PHE A 21 -8.406 -7.354 0.456 1.00 0.00 C ATOM 355 CZ PHE A 21 -7.834 -6.142 0.686 1.00 0.00 C ATOM 0 H PHE A 21 -8.594 -7.688 5.307 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.104 -9.102 4.978 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.597 -8.191 2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.364 -6.799 3.833 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -9.509 -5.313 3.505 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -9.854 -8.812 1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.760 -4.441 1.947 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.104 -7.940 -0.400 1.00 0.00 H new ATOM 0 HZ PHE A 21 -7.078 -5.765 0.013 1.00 0.00 H new ATOM 365 N THR A 22 -9.914 -10.390 2.959 1.00 0.00 N ATOM 366 CA THR A 22 -9.130 -11.411 2.284 1.00 0.00 C ATOM 367 C THR A 22 -9.396 -11.378 0.777 1.00 0.00 C ATOM 368 O THR A 22 -10.499 -11.047 0.345 1.00 0.00 O ATOM 369 CB THR A 22 -9.455 -12.760 2.929 1.00 0.00 C ATOM 370 OG1 THR A 22 -8.332 -13.025 3.765 1.00 0.00 O ATOM 371 CG2 THR A 22 -9.449 -13.909 1.919 1.00 0.00 C ATOM 0 H THR A 22 -10.898 -10.361 2.692 1.00 0.00 H new ATOM 0 HA THR A 22 -8.061 -11.229 2.398 1.00 0.00 H new ATOM 0 HB THR A 22 -10.432 -12.706 3.410 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.460 -13.882 4.223 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.685 -14.843 2.429 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.194 -13.718 1.147 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.463 -13.985 1.461 1.00 0.00 H new ATOM 379 N VAL A 23 -8.366 -11.726 0.020 1.00 0.00 N ATOM 380 CA VAL A 23 -8.474 -11.741 -1.429 1.00 0.00 C ATOM 381 C VAL A 23 -8.151 -13.145 -1.946 1.00 0.00 C ATOM 382 O VAL A 23 -7.132 -13.726 -1.579 1.00 0.00 O ATOM 383 CB VAL A 23 -7.572 -10.661 -2.032 1.00 0.00 C ATOM 384 CG1 VAL A 23 -6.106 -10.905 -1.668 1.00 0.00 C ATOM 385 CG2 VAL A 23 -7.755 -10.579 -3.548 1.00 0.00 C ATOM 0 H VAL A 23 -7.453 -12.000 0.383 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.493 -11.506 -1.738 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.867 -9.702 -1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.487 -10.124 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.993 -10.889 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.793 -11.876 -2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.103 -9.804 -3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.500 -11.539 -3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.793 -10.336 -3.777 1.00 0.00 H new ATOM 395 N SER A 24 -9.041 -13.649 -2.789 1.00 0.00 N ATOM 396 CA SER A 24 -8.865 -14.973 -3.359 1.00 0.00 C ATOM 397 C SER A 24 -8.768 -14.877 -4.884 1.00 0.00 C ATOM 398 O SER A 24 -9.539 -14.157 -5.515 1.00 0.00 O ATOM 399 CB SER A 24 -10.012 -15.903 -2.959 1.00 0.00 C ATOM 400 OG SER A 24 -9.541 -17.087 -2.323 1.00 0.00 O ATOM 0 H SER A 24 -9.886 -13.164 -3.091 1.00 0.00 H new ATOM 0 HA SER A 24 -7.939 -15.393 -2.967 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.689 -15.375 -2.287 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.587 -16.172 -3.845 1.00 0.00 H new ATOM 0 HG SER A 24 -10.303 -17.654 -2.081 1.00 0.00 H new ATOM 406 N PHE A 25 -7.811 -15.613 -5.431 1.00 0.00 N ATOM 407 CA PHE A 25 -7.603 -15.621 -6.869 1.00 0.00 C ATOM 408 C PHE A 25 -6.670 -16.761 -7.282 1.00 0.00 C ATOM 409 O PHE A 25 -5.751 -17.113 -6.544 1.00 0.00 O ATOM 410 CB PHE A 25 -6.951 -14.286 -7.233 1.00 0.00 C ATOM 411 CG PHE A 25 -5.596 -14.052 -6.562 1.00 0.00 C ATOM 412 CD1 PHE A 25 -5.531 -13.415 -5.363 1.00 0.00 C ATOM 413 CD2 PHE A 25 -4.455 -14.481 -7.167 1.00 0.00 C ATOM 414 CE1 PHE A 25 -4.273 -13.198 -4.741 1.00 0.00 C ATOM 415 CE2 PHE A 25 -3.197 -14.265 -6.544 1.00 0.00 C ATOM 416 CZ PHE A 25 -3.133 -13.627 -5.344 1.00 0.00 C ATOM 0 H PHE A 25 -7.171 -16.208 -4.904 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.554 -15.763 -7.382 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.822 -14.239 -8.314 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.626 -13.476 -6.957 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.436 -13.074 -4.883 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.506 -14.986 -8.121 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.222 -12.692 -3.788 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.291 -14.607 -7.023 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.176 -13.461 -4.871 1.00 0.00 H new ATOM 426 N ASP A 26 -6.937 -17.304 -8.460 1.00 0.00 N ATOM 427 CA ASP A 26 -6.133 -18.397 -8.980 1.00 0.00 C ATOM 428 C ASP A 26 -5.551 -17.996 -10.336 1.00 0.00 C ATOM 429 O ASP A 26 -6.188 -18.188 -11.371 1.00 0.00 O ATOM 430 CB ASP A 26 -6.979 -19.656 -9.182 1.00 0.00 C ATOM 431 CG ASP A 26 -8.057 -19.888 -8.122 1.00 0.00 C ATOM 432 OD1 ASP A 26 -7.947 -20.800 -7.288 1.00 0.00 O ATOM 433 OD2 ASP A 26 -9.058 -19.076 -8.175 1.00 0.00 O ATOM 0 H ASP A 26 -7.699 -17.008 -9.070 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.342 -18.606 -8.260 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.458 -19.601 -10.160 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.317 -20.521 -9.200 1.00 0.00 H new ATOM 439 N ALA A 27 -4.346 -17.445 -10.288 1.00 0.00 N ATOM 440 CA ALA A 27 -3.672 -17.015 -11.500 1.00 0.00 C ATOM 441 C ALA A 27 -2.279 -16.489 -11.144 1.00 0.00 C ATOM 442 O ALA A 27 -1.284 -17.192 -11.318 1.00 0.00 O ATOM 443 CB ALA A 27 -4.525 -15.966 -12.215 1.00 0.00 C ATOM 0 H ALA A 27 -3.820 -17.287 -9.428 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.544 -17.853 -12.185 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.018 -15.644 -13.125 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.493 -16.397 -12.472 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.673 -15.108 -11.559 1.00 0.00 H new ATOM 449 N ALA A 28 -2.253 -15.259 -10.653 1.00 0.00 N ATOM 450 CA ALA A 28 -1.000 -14.632 -10.271 1.00 0.00 C ATOM 451 C ALA A 28 -1.280 -13.510 -9.269 1.00 0.00 C ATOM 452 O ALA A 28 -2.399 -13.005 -9.195 1.00 0.00 O ATOM 453 CB ALA A 28 -0.278 -14.129 -11.523 1.00 0.00 C ATOM 0 H ALA A 28 -3.080 -14.680 -10.511 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.344 -15.353 -9.783 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.662 -13.658 -11.236 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.076 -14.968 -12.188 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.906 -13.401 -12.037 1.00 0.00 H new ATOM 459 N THR A 29 -0.245 -13.153 -8.525 1.00 0.00 N ATOM 460 CA THR A 29 -0.365 -12.099 -7.532 1.00 0.00 C ATOM 461 C THR A 29 -0.328 -10.725 -8.203 1.00 0.00 C ATOM 462 O THR A 29 0.677 -10.352 -8.807 1.00 0.00 O ATOM 463 CB THR A 29 0.742 -12.298 -6.494 1.00 0.00 C ATOM 464 OG1 THR A 29 0.185 -13.224 -5.565 1.00 0.00 O ATOM 465 CG2 THR A 29 0.995 -11.041 -5.660 1.00 0.00 C ATOM 0 H THR A 29 0.681 -13.575 -8.589 1.00 0.00 H new ATOM 0 HA THR A 29 -1.325 -12.149 -7.019 1.00 0.00 H new ATOM 0 HB THR A 29 1.663 -12.591 -6.998 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.837 -13.411 -4.858 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.789 -11.236 -4.939 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.293 -10.223 -6.316 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.083 -10.767 -5.130 1.00 0.00 H new ATOM 473 N PRO A 30 -1.465 -9.991 -8.072 1.00 0.00 N ATOM 474 CA PRO A 30 -1.572 -8.666 -8.660 1.00 0.00 C ATOM 475 C PRO A 30 -0.776 -7.641 -7.849 1.00 0.00 C ATOM 476 O PRO A 30 0.096 -8.008 -7.063 1.00 0.00 O ATOM 477 CB PRO A 30 -3.063 -8.370 -8.692 1.00 0.00 C ATOM 478 CG PRO A 30 -3.701 -9.331 -7.702 1.00 0.00 C ATOM 479 CD PRO A 30 -2.675 -10.400 -7.364 1.00 0.00 C ATOM 0 HA PRO A 30 -1.147 -8.614 -9.663 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.262 -7.335 -8.414 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.468 -8.515 -9.693 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.011 -8.801 -6.801 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.596 -9.782 -8.131 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.504 -10.459 -6.289 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.009 -11.386 -7.688 1.00 0.00 H new ATOM 487 N SER A 31 -1.104 -6.376 -8.070 1.00 0.00 N ATOM 488 CA SER A 31 -0.431 -5.296 -7.370 1.00 0.00 C ATOM 489 C SER A 31 -1.412 -4.583 -6.438 1.00 0.00 C ATOM 490 O SER A 31 -2.606 -4.884 -6.441 1.00 0.00 O ATOM 491 CB SER A 31 0.183 -4.300 -8.356 1.00 0.00 C ATOM 492 OG SER A 31 0.504 -4.911 -9.603 1.00 0.00 O ATOM 0 H SER A 31 -1.827 -6.076 -8.724 1.00 0.00 H new ATOM 0 HA SER A 31 0.377 -5.725 -6.777 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.514 -3.479 -8.524 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.085 -3.869 -7.921 1.00 0.00 H new ATOM 0 HG SER A 31 0.892 -4.242 -10.205 1.00 0.00 H new ATOM 498 N ILE A 32 -0.875 -3.653 -5.663 1.00 0.00 N ATOM 499 CA ILE A 32 -1.688 -2.895 -4.729 1.00 0.00 C ATOM 500 C ILE A 32 -2.669 -2.017 -5.508 1.00 0.00 C ATOM 501 O ILE A 32 -3.881 -2.120 -5.324 1.00 0.00 O ATOM 502 CB ILE A 32 -0.802 -2.114 -3.757 1.00 0.00 C ATOM 503 CG1 ILE A 32 0.396 -2.954 -3.311 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.613 -1.598 -2.568 1.00 0.00 C ATOM 505 CD1 ILE A 32 1.004 -2.403 -2.020 1.00 0.00 C ATOM 0 H ILE A 32 0.115 -3.407 -5.663 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.283 -3.567 -4.111 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.408 -1.243 -4.280 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.083 -3.987 -3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.151 -2.963 -4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.958 -1.047 -1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.404 -0.939 -2.926 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.056 -2.440 -2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.854 -3.019 -1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.338 -1.378 -2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.254 -2.418 -1.229 1.00 0.00 H new ATOM 517 N LYS A 33 -2.108 -1.173 -6.363 1.00 0.00 N ATOM 518 CA LYS A 33 -2.918 -0.278 -7.171 1.00 0.00 C ATOM 519 C LYS A 33 -3.896 -1.101 -8.011 1.00 0.00 C ATOM 520 O LYS A 33 -4.983 -0.631 -8.343 1.00 0.00 O ATOM 521 CB LYS A 33 -2.027 0.651 -7.998 1.00 0.00 C ATOM 522 CG LYS A 33 -2.863 1.505 -8.954 1.00 0.00 C ATOM 523 CD LYS A 33 -2.966 0.845 -10.330 1.00 0.00 C ATOM 524 CE LYS A 33 -1.808 1.275 -11.233 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.319 1.969 -12.436 1.00 0.00 N ATOM 0 H LYS A 33 -1.102 -1.091 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.515 0.375 -6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.454 1.298 -7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.308 0.061 -8.566 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.861 1.649 -8.540 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.413 2.493 -9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.961 -0.239 -10.218 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.914 1.113 -10.796 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.136 1.934 -10.684 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.226 0.402 -11.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.520 2.254 -13.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.942 1.328 -12.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.854 2.813 -12.149 1.00 0.00 H new ATOM 538 N ASP A 34 -3.475 -2.315 -8.332 1.00 0.00 N ATOM 539 CA ASP A 34 -4.300 -3.207 -9.128 1.00 0.00 C ATOM 540 C ASP A 34 -5.427 -3.766 -8.257 1.00 0.00 C ATOM 541 O ASP A 34 -6.536 -3.990 -8.739 1.00 0.00 O ATOM 542 CB ASP A 34 -3.483 -4.389 -9.656 1.00 0.00 C ATOM 543 CG ASP A 34 -3.655 -4.677 -11.149 1.00 0.00 C ATOM 544 OD1 ASP A 34 -4.215 -3.861 -11.897 1.00 0.00 O ATOM 545 OD2 ASP A 34 -3.179 -5.809 -11.544 1.00 0.00 O ATOM 0 H ASP A 34 -2.573 -2.702 -8.055 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.697 -2.638 -9.968 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.428 -4.200 -9.457 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.759 -5.282 -9.095 1.00 0.00 H new ATOM 551 N VAL A 35 -5.104 -3.973 -6.988 1.00 0.00 N ATOM 552 CA VAL A 35 -6.076 -4.501 -6.045 1.00 0.00 C ATOM 553 C VAL A 35 -6.999 -3.371 -5.585 1.00 0.00 C ATOM 554 O VAL A 35 -8.218 -3.527 -5.571 1.00 0.00 O ATOM 555 CB VAL A 35 -5.357 -5.195 -4.887 1.00 0.00 C ATOM 556 CG1 VAL A 35 -6.288 -5.363 -3.685 1.00 0.00 C ATOM 557 CG2 VAL A 35 -4.781 -6.543 -5.327 1.00 0.00 C ATOM 0 H VAL A 35 -4.183 -3.785 -6.591 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.700 -5.257 -6.522 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.526 -4.560 -4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.752 -5.859 -2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.628 -4.384 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.149 -5.966 -3.973 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.275 -7.015 -4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.588 -7.188 -5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.068 -6.387 -6.137 1.00 0.00 H new ATOM 567 N LYS A 36 -6.381 -2.257 -5.219 1.00 0.00 N ATOM 568 CA LYS A 36 -7.132 -1.102 -4.759 1.00 0.00 C ATOM 569 C LYS A 36 -8.255 -0.800 -5.754 1.00 0.00 C ATOM 570 O LYS A 36 -9.292 -0.256 -5.379 1.00 0.00 O ATOM 571 CB LYS A 36 -6.195 0.082 -4.512 1.00 0.00 C ATOM 572 CG LYS A 36 -6.326 1.127 -5.622 1.00 0.00 C ATOM 573 CD LYS A 36 -5.058 1.977 -5.728 1.00 0.00 C ATOM 574 CE LYS A 36 -5.331 3.422 -5.307 1.00 0.00 C ATOM 575 NZ LYS A 36 -4.411 4.347 -6.007 1.00 0.00 N ATOM 0 H LYS A 36 -5.369 -2.130 -5.232 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.604 -1.312 -3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.426 0.538 -3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.165 -0.270 -4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.515 0.630 -6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.183 1.770 -5.422 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.277 1.552 -5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.687 1.957 -6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.364 3.685 -5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.207 3.523 -4.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.609 5.324 -5.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.428 4.105 -5.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.549 4.262 -7.034 1.00 0.00 H new ATOM 588 N MET A 37 -8.009 -1.165 -7.004 1.00 0.00 N ATOM 589 CA MET A 37 -8.986 -0.941 -8.055 1.00 0.00 C ATOM 590 C MET A 37 -10.354 -1.503 -7.661 1.00 0.00 C ATOM 591 O MET A 37 -11.348 -0.779 -7.655 1.00 0.00 O ATOM 592 CB MET A 37 -8.511 -1.610 -9.346 1.00 0.00 C ATOM 593 CG MET A 37 -7.398 -0.795 -10.009 1.00 0.00 C ATOM 594 SD MET A 37 -7.851 -0.397 -11.688 1.00 0.00 S ATOM 595 CE MET A 37 -7.969 1.380 -11.565 1.00 0.00 C ATOM 0 H MET A 37 -7.147 -1.614 -7.312 1.00 0.00 H new ATOM 0 HA MET A 37 -9.086 0.133 -8.209 1.00 0.00 H new ATOM 0 HB2 MET A 37 -8.150 -2.615 -9.127 1.00 0.00 H new ATOM 0 HB3 MET A 37 -9.349 -1.715 -10.035 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.221 0.121 -9.445 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.466 -1.361 -9.999 1.00 0.00 H new ATOM 0 HE1 MET A 37 -8.246 1.794 -12.534 1.00 0.00 H new ATOM 0 HE2 MET A 37 -8.727 1.644 -10.828 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.006 1.788 -11.258 1.00 0.00 H new ATOM 605 N LYS A 38 -10.360 -2.788 -7.344 1.00 0.00 N ATOM 606 CA LYS A 38 -11.589 -3.456 -6.950 1.00 0.00 C ATOM 607 C LYS A 38 -11.998 -2.983 -5.555 1.00 0.00 C ATOM 608 O LYS A 38 -13.163 -2.668 -5.317 1.00 0.00 O ATOM 609 CB LYS A 38 -11.434 -4.974 -7.063 1.00 0.00 C ATOM 610 CG LYS A 38 -10.354 -5.341 -8.083 1.00 0.00 C ATOM 611 CD LYS A 38 -9.022 -5.635 -7.389 1.00 0.00 C ATOM 612 CE LYS A 38 -8.661 -7.117 -7.500 1.00 0.00 C ATOM 613 NZ LYS A 38 -8.751 -7.774 -6.178 1.00 0.00 N ATOM 0 H LYS A 38 -9.533 -3.386 -7.352 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.400 -3.190 -7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.176 -5.390 -6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.384 -5.419 -7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.670 -6.213 -8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.226 -4.524 -8.793 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.233 -5.030 -7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.084 -5.350 -6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.333 -7.609 -8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.651 -7.222 -7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.143 -8.618 -6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.437 -7.112 -5.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.736 -8.054 -5.996 1.00 0.00 H new ATOM 626 N LEU A 39 -11.016 -2.947 -4.665 1.00 0.00 N ATOM 627 CA LEU A 39 -11.258 -2.517 -3.299 1.00 0.00 C ATOM 628 C LEU A 39 -12.023 -1.192 -3.314 1.00 0.00 C ATOM 629 O LEU A 39 -12.917 -0.977 -2.496 1.00 0.00 O ATOM 630 CB LEU A 39 -9.946 -2.460 -2.513 1.00 0.00 C ATOM 631 CG LEU A 39 -9.136 -3.757 -2.466 1.00 0.00 C ATOM 632 CD1 LEU A 39 -7.772 -3.528 -1.814 1.00 0.00 C ATOM 633 CD2 LEU A 39 -9.924 -4.870 -1.772 1.00 0.00 C ATOM 0 H LEU A 39 -10.051 -3.209 -4.864 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.883 -3.242 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.320 -1.679 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.171 -2.158 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.952 -4.083 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.217 -4.466 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.214 -2.788 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.912 -3.167 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.326 -5.781 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.159 -4.568 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.849 -5.055 -2.318 1.00 0.00 H new ATOM 645 N VAL A 40 -11.645 -0.337 -4.254 1.00 0.00 N ATOM 646 CA VAL A 40 -12.284 0.960 -4.386 1.00 0.00 C ATOM 647 C VAL A 40 -13.794 0.767 -4.538 1.00 0.00 C ATOM 648 O VAL A 40 -14.581 1.502 -3.943 1.00 0.00 O ATOM 649 CB VAL A 40 -11.660 1.735 -5.549 1.00 0.00 C ATOM 650 CG1 VAL A 40 -12.681 2.675 -6.192 1.00 0.00 C ATOM 651 CG2 VAL A 40 -10.420 2.505 -5.091 1.00 0.00 C ATOM 0 H VAL A 40 -10.904 -0.518 -4.931 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.122 1.559 -3.490 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.348 1.013 -6.303 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.212 3.213 -7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.522 2.094 -6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -13.038 3.388 -5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.996 3.047 -5.936 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.699 3.212 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.681 1.805 -4.701 1.00 0.00 H new ATOM 661 N ALA A 41 -14.154 -0.226 -5.340 1.00 0.00 N ATOM 662 CA ALA A 41 -15.555 -0.524 -5.578 1.00 0.00 C ATOM 663 C ALA A 41 -16.143 -1.212 -4.343 1.00 0.00 C ATOM 664 O ALA A 41 -17.274 -0.929 -3.951 1.00 0.00 O ATOM 665 CB ALA A 41 -15.687 -1.380 -6.839 1.00 0.00 C ATOM 0 H ALA A 41 -13.499 -0.833 -5.832 1.00 0.00 H new ATOM 0 HA ALA A 41 -16.120 0.393 -5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.739 -1.604 -7.018 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.281 -0.836 -7.692 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -15.135 -2.311 -6.706 1.00 0.00 H new ATOM 671 N VAL A 42 -15.348 -2.101 -3.765 1.00 0.00 N ATOM 672 CA VAL A 42 -15.776 -2.830 -2.584 1.00 0.00 C ATOM 673 C VAL A 42 -16.038 -1.841 -1.447 1.00 0.00 C ATOM 674 O VAL A 42 -17.108 -1.855 -0.841 1.00 0.00 O ATOM 675 CB VAL A 42 -14.738 -3.895 -2.223 1.00 0.00 C ATOM 676 CG1 VAL A 42 -15.069 -4.549 -0.880 1.00 0.00 C ATOM 677 CG2 VAL A 42 -14.622 -4.945 -3.330 1.00 0.00 C ATOM 0 H VAL A 42 -14.410 -2.332 -4.093 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.710 -3.357 -2.778 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.771 -3.402 -2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.316 -5.302 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.077 -3.790 -0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.049 -5.022 -0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.878 -5.690 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.587 -5.432 -3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.319 -4.462 -4.259 1.00 0.00 H new ATOM 687 N LEU A 43 -15.042 -1.006 -1.191 1.00 0.00 N ATOM 688 CA LEU A 43 -15.152 -0.011 -0.136 1.00 0.00 C ATOM 689 C LEU A 43 -16.094 1.104 -0.591 1.00 0.00 C ATOM 690 O LEU A 43 -16.911 1.588 0.193 1.00 0.00 O ATOM 691 CB LEU A 43 -13.765 0.485 0.277 1.00 0.00 C ATOM 692 CG LEU A 43 -12.772 -0.590 0.724 1.00 0.00 C ATOM 693 CD1 LEU A 43 -11.482 0.040 1.253 1.00 0.00 C ATOM 694 CD2 LEU A 43 -13.410 -1.535 1.745 1.00 0.00 C ATOM 0 H LEU A 43 -14.155 -0.997 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.588 -0.451 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.330 1.026 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.885 1.201 1.090 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.503 -1.190 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.794 -0.746 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.020 0.637 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.712 0.679 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.683 -2.289 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.726 -0.966 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.276 -2.023 1.297 1.00 0.00 H new ATOM 706 N ASN A 44 -15.950 1.481 -1.852 1.00 0.00 N ATOM 707 CA ASN A 44 -16.779 2.531 -2.418 1.00 0.00 C ATOM 708 C ASN A 44 -16.373 3.878 -1.815 1.00 0.00 C ATOM 709 O ASN A 44 -17.211 4.597 -1.273 1.00 0.00 O ATOM 710 CB ASN A 44 -18.258 2.298 -2.101 1.00 0.00 C ATOM 711 CG ASN A 44 -19.150 2.821 -3.229 1.00 0.00 C ATOM 712 OD1 ASN A 44 -18.686 3.290 -4.256 1.00 0.00 O ATOM 713 ND2 ASN A 44 -20.452 2.716 -2.981 1.00 0.00 N ATOM 0 H ASN A 44 -15.271 1.078 -2.498 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.637 2.526 -3.499 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -18.439 1.233 -1.954 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.516 2.797 -1.167 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -21.130 3.038 -3.671 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.773 2.313 -2.100 1.00 0.00 H new ATOM 720 N ALA A 45 -15.087 4.178 -1.929 1.00 0.00 N ATOM 721 CA ALA A 45 -14.560 5.425 -1.401 1.00 0.00 C ATOM 722 C ALA A 45 -13.703 6.104 -2.472 1.00 0.00 C ATOM 723 O ALA A 45 -13.667 5.659 -3.618 1.00 0.00 O ATOM 724 CB ALA A 45 -13.776 5.145 -0.118 1.00 0.00 C ATOM 0 H ALA A 45 -14.395 3.579 -2.379 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.371 6.107 -1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.381 6.080 0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.436 4.689 0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.952 4.466 -0.336 1.00 0.00 H new ATOM 730 N ASN A 46 -13.033 7.170 -2.059 1.00 0.00 N ATOM 731 CA ASN A 46 -12.179 7.915 -2.968 1.00 0.00 C ATOM 732 C ASN A 46 -11.066 6.999 -3.480 1.00 0.00 C ATOM 733 O ASN A 46 -10.303 6.442 -2.692 1.00 0.00 O ATOM 734 CB ASN A 46 -11.525 9.103 -2.259 1.00 0.00 C ATOM 735 CG ASN A 46 -10.753 9.977 -3.250 1.00 0.00 C ATOM 736 OD1 ASN A 46 -10.761 9.753 -4.450 1.00 0.00 O ATOM 737 ND2 ASN A 46 -10.090 10.980 -2.685 1.00 0.00 N ATOM 0 H ASN A 46 -13.064 7.535 -1.107 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.796 8.280 -3.789 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.290 9.700 -1.761 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.849 8.741 -1.484 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.545 11.620 -3.262 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.126 11.110 -1.674 1.00 0.00 H new ATOM 744 N LYS A 47 -11.009 6.872 -4.798 1.00 0.00 N ATOM 745 CA LYS A 47 -10.001 6.033 -5.425 1.00 0.00 C ATOM 746 C LYS A 47 -8.623 6.395 -4.868 1.00 0.00 C ATOM 747 O LYS A 47 -7.785 5.520 -4.659 1.00 0.00 O ATOM 748 CB LYS A 47 -10.094 6.133 -6.949 1.00 0.00 C ATOM 749 CG LYS A 47 -10.131 7.594 -7.401 1.00 0.00 C ATOM 750 CD LYS A 47 -8.842 7.974 -8.134 1.00 0.00 C ATOM 751 CE LYS A 47 -8.713 7.203 -9.450 1.00 0.00 C ATOM 752 NZ LYS A 47 -7.732 7.861 -10.342 1.00 0.00 N ATOM 0 H LYS A 47 -11.644 7.335 -5.448 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.176 4.984 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.240 5.630 -7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.990 5.618 -7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.987 7.754 -8.056 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.266 8.243 -6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.835 9.046 -8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.982 7.763 -7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.400 6.178 -9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.683 7.149 -9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.657 7.325 -11.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.046 8.831 -10.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.803 7.890 -9.875 1.00 0.00 H new ATOM 765 N GLN A 48 -8.431 7.687 -4.643 1.00 0.00 N ATOM 766 CA GLN A 48 -7.169 8.175 -4.114 1.00 0.00 C ATOM 767 C GLN A 48 -7.179 8.122 -2.585 1.00 0.00 C ATOM 768 O GLN A 48 -8.161 7.693 -1.981 1.00 0.00 O ATOM 769 CB GLN A 48 -6.878 9.592 -4.613 1.00 0.00 C ATOM 770 CG GLN A 48 -6.244 9.564 -6.005 1.00 0.00 C ATOM 771 CD GLN A 48 -4.928 10.343 -6.025 1.00 0.00 C ATOM 772 OE1 GLN A 48 -4.608 11.095 -5.119 1.00 0.00 O ATOM 773 NE2 GLN A 48 -4.184 10.121 -7.104 1.00 0.00 N ATOM 0 H GLN A 48 -9.129 8.410 -4.818 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.370 7.527 -4.475 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.803 10.168 -4.642 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.210 10.097 -3.915 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.064 8.532 -6.306 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.935 9.992 -6.732 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.511 9.479 -7.826 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.286 10.593 -7.210 1.00 0.00 H new ATOM 782 N VAL A 49 -6.074 8.564 -2.003 1.00 0.00 N ATOM 783 CA VAL A 49 -5.942 8.574 -0.556 1.00 0.00 C ATOM 784 C VAL A 49 -6.373 7.214 -0.001 1.00 0.00 C ATOM 785 O VAL A 49 -6.897 7.130 1.108 1.00 0.00 O ATOM 786 CB VAL A 49 -6.738 9.739 0.035 1.00 0.00 C ATOM 787 CG1 VAL A 49 -6.320 11.066 -0.602 1.00 0.00 C ATOM 788 CG2 VAL A 49 -8.243 9.508 -0.117 1.00 0.00 C ATOM 0 H VAL A 49 -5.261 8.918 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.902 8.730 -0.268 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.514 9.793 1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.901 11.878 -0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.259 11.239 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.502 11.027 -1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.786 10.351 0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.492 9.416 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.525 8.593 0.403 1.00 0.00 H new ATOM 798 N LEU A 50 -6.134 6.183 -0.798 1.00 0.00 N ATOM 799 CA LEU A 50 -6.490 4.831 -0.401 1.00 0.00 C ATOM 800 C LEU A 50 -5.334 3.886 -0.730 1.00 0.00 C ATOM 801 O LEU A 50 -4.781 3.935 -1.828 1.00 0.00 O ATOM 802 CB LEU A 50 -7.821 4.419 -1.035 1.00 0.00 C ATOM 803 CG LEU A 50 -8.269 2.979 -0.778 1.00 0.00 C ATOM 804 CD1 LEU A 50 -9.738 2.929 -0.357 1.00 0.00 C ATOM 805 CD2 LEU A 50 -7.990 2.094 -1.994 1.00 0.00 C ATOM 0 H LEU A 50 -5.698 6.257 -1.717 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.647 4.780 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.598 5.091 -0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.750 4.570 -2.112 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.684 2.581 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.031 1.894 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.874 3.506 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.358 3.352 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.318 1.075 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.532 2.480 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.921 2.095 -2.207 1.00 0.00 H new ATOM 817 N VAL A 51 -5.003 3.047 0.240 1.00 0.00 N ATOM 818 CA VAL A 51 -3.922 2.091 0.067 1.00 0.00 C ATOM 819 C VAL A 51 -4.154 0.893 0.989 1.00 0.00 C ATOM 820 O VAL A 51 -5.086 0.894 1.791 1.00 0.00 O ATOM 821 CB VAL A 51 -2.575 2.777 0.306 1.00 0.00 C ATOM 822 CG1 VAL A 51 -1.468 2.114 -0.518 1.00 0.00 C ATOM 823 CG2 VAL A 51 -2.660 4.274 0.005 1.00 0.00 C ATOM 0 H VAL A 51 -5.464 3.009 1.149 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.904 1.715 -0.956 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.323 2.662 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.521 2.620 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.381 1.065 -0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.712 2.184 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.689 4.737 0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.946 4.420 -1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.406 4.734 0.654 1.00 0.00 H new ATOM 833 N VAL A 52 -3.290 -0.102 0.843 1.00 0.00 N ATOM 834 CA VAL A 52 -3.390 -1.304 1.652 1.00 0.00 C ATOM 835 C VAL A 52 -2.304 -1.281 2.729 1.00 0.00 C ATOM 836 O VAL A 52 -1.238 -0.700 2.529 1.00 0.00 O ATOM 837 CB VAL A 52 -3.318 -2.544 0.758 1.00 0.00 C ATOM 838 CG1 VAL A 52 -2.628 -3.702 1.482 1.00 0.00 C ATOM 839 CG2 VAL A 52 -4.710 -2.951 0.273 1.00 0.00 C ATOM 0 H VAL A 52 -2.518 -0.099 0.176 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.353 -1.342 2.162 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.719 -2.292 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.590 -4.571 0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.614 -3.408 1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.188 -3.953 2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.631 -3.835 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.343 -3.175 1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.150 -2.133 -0.298 1.00 0.00 H new ATOM 849 N ASP A 53 -2.611 -1.918 3.849 1.00 0.00 N ATOM 850 CA ASP A 53 -1.675 -1.977 4.958 1.00 0.00 C ATOM 851 C ASP A 53 -0.639 -3.069 4.688 1.00 0.00 C ATOM 852 O ASP A 53 0.562 -2.806 4.692 1.00 0.00 O ATOM 853 CB ASP A 53 -2.392 -2.318 6.266 1.00 0.00 C ATOM 854 CG ASP A 53 -2.413 -1.193 7.304 1.00 0.00 C ATOM 855 OD1 ASP A 53 -1.791 -0.137 7.115 1.00 0.00 O ATOM 856 OD2 ASP A 53 -3.114 -1.438 8.359 1.00 0.00 O ATOM 0 H ASP A 53 -3.496 -2.398 4.012 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.200 -1.000 5.051 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.420 -2.600 6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.913 -3.191 6.708 1.00 0.00 H new ATOM 862 N THR A 54 -1.142 -4.274 4.460 1.00 0.00 N ATOM 863 CA THR A 54 -0.276 -5.407 4.187 1.00 0.00 C ATOM 864 C THR A 54 -1.096 -6.599 3.688 1.00 0.00 C ATOM 865 O THR A 54 -2.318 -6.616 3.825 1.00 0.00 O ATOM 866 CB THR A 54 0.521 -5.709 5.459 1.00 0.00 C ATOM 867 OG1 THR A 54 1.727 -4.969 5.296 1.00 0.00 O ATOM 868 CG2 THR A 54 0.985 -7.166 5.527 1.00 0.00 C ATOM 0 H THR A 54 -2.139 -4.489 4.459 1.00 0.00 H new ATOM 0 HA THR A 54 0.430 -5.181 3.388 1.00 0.00 H new ATOM 0 HB THR A 54 -0.089 -5.481 6.333 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.523 -4.010 5.283 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.545 -7.327 6.448 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.117 -7.825 5.510 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.623 -7.385 4.671 1.00 0.00 H new ATOM 876 N LEU A 55 -0.391 -7.565 3.119 1.00 0.00 N ATOM 877 CA LEU A 55 -1.039 -8.757 2.598 1.00 0.00 C ATOM 878 C LEU A 55 -0.129 -9.967 2.824 1.00 0.00 C ATOM 879 O LEU A 55 1.042 -9.812 3.169 1.00 0.00 O ATOM 880 CB LEU A 55 -1.439 -8.553 1.136 1.00 0.00 C ATOM 881 CG LEU A 55 -2.701 -9.287 0.677 1.00 0.00 C ATOM 882 CD1 LEU A 55 -3.790 -8.297 0.259 1.00 0.00 C ATOM 883 CD2 LEU A 55 -2.380 -10.289 -0.433 1.00 0.00 C ATOM 0 H LEU A 55 0.623 -7.547 3.007 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.968 -8.952 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.581 -7.486 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.609 -8.870 0.505 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.091 -9.856 1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.676 -8.845 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.045 -7.659 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.426 -7.681 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.294 -10.797 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.953 -9.762 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.664 -11.023 -0.064 1.00 0.00 H new ATOM 895 N ASP A 56 -0.702 -11.144 2.621 1.00 0.00 N ATOM 896 CA ASP A 56 0.042 -12.379 2.799 1.00 0.00 C ATOM 897 C ASP A 56 -0.694 -13.518 2.091 1.00 0.00 C ATOM 898 O ASP A 56 -1.827 -13.843 2.441 1.00 0.00 O ATOM 899 CB ASP A 56 0.161 -12.742 4.280 1.00 0.00 C ATOM 900 CG ASP A 56 1.569 -12.612 4.866 1.00 0.00 C ATOM 901 OD1 ASP A 56 2.321 -13.595 4.944 1.00 0.00 O ATOM 902 OD2 ASP A 56 1.890 -11.425 5.257 1.00 0.00 O ATOM 0 H ASP A 56 -1.673 -11.269 2.335 1.00 0.00 H new ATOM 0 HA ASP A 56 1.039 -12.236 2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.514 -12.104 4.850 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.180 -13.769 4.416 1.00 0.00 H new ATOM 908 N GLN A 57 -0.019 -14.095 1.107 1.00 0.00 N ATOM 909 CA GLN A 57 -0.594 -15.192 0.347 1.00 0.00 C ATOM 910 C GLN A 57 -0.802 -16.411 1.248 1.00 0.00 C ATOM 911 O GLN A 57 0.010 -16.679 2.133 1.00 0.00 O ATOM 912 CB GLN A 57 0.282 -15.543 -0.857 1.00 0.00 C ATOM 913 CG GLN A 57 -0.486 -16.404 -1.861 1.00 0.00 C ATOM 914 CD GLN A 57 0.408 -17.506 -2.435 1.00 0.00 C ATOM 915 OE1 GLN A 57 1.626 -17.430 -2.409 1.00 0.00 O ATOM 916 NE2 GLN A 57 -0.262 -18.531 -2.955 1.00 0.00 N ATOM 0 H GLN A 57 0.921 -13.823 0.819 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.566 -14.875 -0.032 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.623 -14.628 -1.342 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.172 -16.076 -0.521 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.353 -16.851 -1.374 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.862 -15.778 -2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.282 -18.532 -2.944 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.244 -19.316 -3.364 1.00 0.00 H new ATOM 925 N ILE A 58 -1.894 -17.116 0.993 1.00 0.00 N ATOM 926 CA ILE A 58 -2.219 -18.300 1.770 1.00 0.00 C ATOM 927 C ILE A 58 -1.619 -19.532 1.090 1.00 0.00 C ATOM 928 O ILE A 58 -1.750 -19.702 -0.122 1.00 0.00 O ATOM 929 CB ILE A 58 -3.729 -18.395 1.994 1.00 0.00 C ATOM 930 CG1 ILE A 58 -4.271 -17.114 2.629 1.00 0.00 C ATOM 931 CG2 ILE A 58 -4.084 -19.637 2.816 1.00 0.00 C ATOM 932 CD1 ILE A 58 -4.064 -17.122 4.146 1.00 0.00 C ATOM 0 H ILE A 58 -2.565 -16.890 0.259 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.776 -18.237 2.764 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.212 -18.502 1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.770 -16.249 2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.333 -17.014 2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.163 -19.681 2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.752 -20.530 2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.589 -19.585 3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.459 -16.199 4.572 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.586 -17.975 4.580 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.999 -17.198 4.368 1.00 0.00 H new ATOM 944 N PHE A 59 -0.974 -20.360 1.898 1.00 0.00 N ATOM 945 CA PHE A 59 -0.354 -21.572 1.389 1.00 0.00 C ATOM 946 C PHE A 59 -1.396 -22.670 1.168 1.00 0.00 C ATOM 947 O PHE A 59 -1.383 -23.345 0.140 1.00 0.00 O ATOM 948 CB PHE A 59 0.647 -22.040 2.446 1.00 0.00 C ATOM 949 CG PHE A 59 1.283 -23.398 2.144 1.00 0.00 C ATOM 950 CD1 PHE A 59 2.138 -23.530 1.093 1.00 0.00 C ATOM 951 CD2 PHE A 59 0.993 -24.473 2.923 1.00 0.00 C ATOM 952 CE1 PHE A 59 2.728 -24.790 0.812 1.00 0.00 C ATOM 953 CE2 PHE A 59 1.583 -25.734 2.642 1.00 0.00 C ATOM 954 CZ PHE A 59 2.438 -25.866 1.592 1.00 0.00 C ATOM 0 H PHE A 59 -0.867 -20.216 2.902 1.00 0.00 H new ATOM 0 HA PHE A 59 0.129 -21.370 0.433 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.436 -21.294 2.540 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.142 -22.093 3.411 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.367 -22.676 0.473 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.314 -24.368 3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.407 -24.894 -0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.353 -26.588 3.262 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.886 -26.825 1.378 1.00 0.00 H new ATOM 964 N GLY A 60 -2.274 -22.814 2.150 1.00 0.00 N ATOM 965 CA GLY A 60 -3.320 -23.820 2.076 1.00 0.00 C ATOM 966 C GLY A 60 -3.881 -23.923 0.656 1.00 0.00 C ATOM 967 O GLY A 60 -3.860 -24.994 0.053 1.00 0.00 O ATOM 0 H GLY A 60 -2.283 -22.251 3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.922 -24.787 2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.122 -23.568 2.770 1.00 0.00 H new ATOM 971 N LYS A 61 -4.371 -22.795 0.165 1.00 0.00 N ATOM 972 CA LYS A 61 -4.938 -22.744 -1.173 1.00 0.00 C ATOM 973 C LYS A 61 -4.464 -21.470 -1.875 1.00 0.00 C ATOM 974 O LYS A 61 -3.426 -20.913 -1.523 1.00 0.00 O ATOM 975 CB LYS A 61 -6.460 -22.885 -1.115 1.00 0.00 C ATOM 976 CG LYS A 61 -7.110 -21.604 -0.586 1.00 0.00 C ATOM 977 CD LYS A 61 -8.616 -21.605 -0.849 1.00 0.00 C ATOM 978 CE LYS A 61 -9.390 -22.056 0.391 1.00 0.00 C ATOM 979 NZ LYS A 61 -10.678 -21.334 0.491 1.00 0.00 N ATOM 0 H LYS A 61 -4.388 -21.908 0.669 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.586 -23.586 -1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.846 -23.109 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.727 -23.724 -0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.924 -21.513 0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.654 -20.737 -1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.938 -20.605 -1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.842 -22.268 -1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.571 -23.130 0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.794 -21.873 1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.234 -21.724 1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.498 -20.324 0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.209 -21.446 -0.396 1.00 0.00 H new ATOM 992 N LEU A 62 -5.247 -21.047 -2.855 1.00 0.00 N ATOM 993 CA LEU A 62 -4.921 -19.849 -3.611 1.00 0.00 C ATOM 994 C LEU A 62 -5.597 -18.640 -2.959 1.00 0.00 C ATOM 995 O LEU A 62 -6.193 -17.813 -3.646 1.00 0.00 O ATOM 996 CB LEU A 62 -5.280 -20.032 -5.087 1.00 0.00 C ATOM 997 CG LEU A 62 -4.355 -20.946 -5.893 1.00 0.00 C ATOM 998 CD1 LEU A 62 -5.162 -21.915 -6.760 1.00 0.00 C ATOM 999 CD2 LEU A 62 -3.362 -20.129 -6.721 1.00 0.00 C ATOM 0 H LEU A 62 -6.107 -21.512 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.847 -19.665 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.293 -20.429 -5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.293 -19.051 -5.562 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.774 -21.546 -5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.481 -22.553 -7.323 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.795 -22.533 -6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.786 -21.350 -7.453 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.717 -20.803 -7.284 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.907 -19.486 -7.412 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.754 -19.514 -6.057 1.00 0.00 H new ATOM 1011 N GLU A 63 -5.480 -18.578 -1.641 1.00 0.00 N ATOM 1012 CA GLU A 63 -6.071 -17.483 -0.889 1.00 0.00 C ATOM 1013 C GLU A 63 -4.989 -16.496 -0.448 1.00 0.00 C ATOM 1014 O GLU A 63 -3.803 -16.820 -0.468 1.00 0.00 O ATOM 1015 CB GLU A 63 -6.857 -18.009 0.314 1.00 0.00 C ATOM 1016 CG GLU A 63 -7.936 -17.011 0.743 1.00 0.00 C ATOM 1017 CD GLU A 63 -9.312 -17.678 0.789 1.00 0.00 C ATOM 1018 OE1 GLU A 63 -9.401 -18.912 0.859 1.00 0.00 O ATOM 1019 OE2 GLU A 63 -10.313 -16.865 0.751 1.00 0.00 O ATOM 0 H GLU A 63 -4.985 -19.267 -1.075 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.771 -16.957 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.319 -18.964 0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.176 -18.194 1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.692 -16.605 1.725 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.958 -16.172 0.048 1.00 0.00 H new ATOM 1027 N ALA A 64 -5.438 -15.311 -0.060 1.00 0.00 N ATOM 1028 CA ALA A 64 -4.522 -14.274 0.384 1.00 0.00 C ATOM 1029 C ALA A 64 -5.235 -13.368 1.391 1.00 0.00 C ATOM 1030 O ALA A 64 -6.343 -12.900 1.135 1.00 0.00 O ATOM 1031 CB ALA A 64 -4.000 -13.500 -0.828 1.00 0.00 C ATOM 0 H ALA A 64 -6.423 -15.046 -0.044 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.660 -14.713 0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.313 -12.722 -0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.478 -14.183 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.837 -13.043 -1.356 1.00 0.00 H new ATOM 1037 N GLU A 65 -4.569 -13.149 2.516 1.00 0.00 N ATOM 1038 CA GLU A 65 -5.125 -12.308 3.562 1.00 0.00 C ATOM 1039 C GLU A 65 -4.282 -11.041 3.729 1.00 0.00 C ATOM 1040 O GLU A 65 -3.056 -11.094 3.661 1.00 0.00 O ATOM 1041 CB GLU A 65 -5.231 -13.073 4.883 1.00 0.00 C ATOM 1042 CG GLU A 65 -6.083 -12.306 5.895 1.00 0.00 C ATOM 1043 CD GLU A 65 -5.463 -12.368 7.292 1.00 0.00 C ATOM 1044 OE1 GLU A 65 -5.931 -13.137 8.145 1.00 0.00 O ATOM 1045 OE2 GLU A 65 -4.458 -11.581 7.479 1.00 0.00 O ATOM 0 H GLU A 65 -3.650 -13.539 2.725 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.133 -12.015 3.268 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.669 -14.055 4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.234 -13.238 5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.179 -11.266 5.581 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.089 -12.725 5.921 1.00 0.00 H new ATOM 1053 N GLY A 66 -4.976 -9.932 3.944 1.00 0.00 N ATOM 1054 CA GLY A 66 -4.307 -8.655 4.120 1.00 0.00 C ATOM 1055 C GLY A 66 -5.246 -7.628 4.756 1.00 0.00 C ATOM 1056 O GLY A 66 -6.443 -7.876 4.889 1.00 0.00 O ATOM 0 H GLY A 66 -5.994 -9.892 4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.426 -8.785 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.959 -8.287 3.155 1.00 0.00 H new ATOM 1060 N TYR A 67 -4.667 -6.497 5.130 1.00 0.00 N ATOM 1061 CA TYR A 67 -5.438 -5.430 5.747 1.00 0.00 C ATOM 1062 C TYR A 67 -5.432 -4.173 4.876 1.00 0.00 C ATOM 1063 O TYR A 67 -4.432 -3.867 4.229 1.00 0.00 O ATOM 1064 CB TYR A 67 -4.741 -5.120 7.074 1.00 0.00 C ATOM 1065 CG TYR A 67 -5.701 -4.858 8.235 1.00 0.00 C ATOM 1066 CD1 TYR A 67 -5.600 -5.601 9.396 1.00 0.00 C ATOM 1067 CD2 TYR A 67 -6.668 -3.880 8.125 1.00 0.00 C ATOM 1068 CE1 TYR A 67 -6.503 -5.354 10.489 1.00 0.00 C ATOM 1069 CE2 TYR A 67 -7.572 -3.634 9.219 1.00 0.00 C ATOM 1070 CZ TYR A 67 -7.445 -4.384 10.347 1.00 0.00 C ATOM 1071 OH TYR A 67 -8.299 -4.151 11.379 1.00 0.00 O ATOM 0 H TYR A 67 -3.673 -6.296 5.018 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.476 -5.735 5.880 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.091 -5.955 7.335 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.101 -4.248 6.941 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.844 -6.367 9.483 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.747 -3.299 7.218 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.434 -5.927 11.402 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.333 -2.872 9.146 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.917 -3.430 11.136 1.00 0.00 H new ATOM 1081 N ALA A 68 -6.560 -3.478 4.888 1.00 0.00 N ATOM 1082 CA ALA A 68 -6.697 -2.262 4.106 1.00 0.00 C ATOM 1083 C ALA A 68 -6.591 -1.049 5.034 1.00 0.00 C ATOM 1084 O ALA A 68 -6.803 -1.167 6.239 1.00 0.00 O ATOM 1085 CB ALA A 68 -8.022 -2.294 3.339 1.00 0.00 C ATOM 0 H ALA A 68 -7.387 -3.734 5.427 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.896 -2.187 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.125 -1.381 2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.036 -3.157 2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.849 -2.367 4.045 1.00 0.00 H new ATOM 1091 N LYS A 69 -6.261 0.086 4.436 1.00 0.00 N ATOM 1092 CA LYS A 69 -6.124 1.318 5.194 1.00 0.00 C ATOM 1093 C LYS A 69 -6.598 2.494 4.339 1.00 0.00 C ATOM 1094 O LYS A 69 -6.466 2.470 3.115 1.00 0.00 O ATOM 1095 CB LYS A 69 -4.692 1.472 5.711 1.00 0.00 C ATOM 1096 CG LYS A 69 -4.671 2.190 7.062 1.00 0.00 C ATOM 1097 CD LYS A 69 -4.450 3.693 6.880 1.00 0.00 C ATOM 1098 CE LYS A 69 -3.396 4.216 7.859 1.00 0.00 C ATOM 1099 NZ LYS A 69 -3.728 3.809 9.242 1.00 0.00 N ATOM 0 H LYS A 69 -6.085 0.178 3.436 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.758 1.292 6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.230 0.490 5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.099 2.032 4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.612 2.018 7.584 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.879 1.775 7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.134 3.896 5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.390 4.223 7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.414 3.830 7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.340 5.303 7.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.341 4.505 9.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.761 3.761 9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.316 2.874 9.437 1.00 0.00 H new ATOM 1112 N ILE A 70 -7.143 3.495 5.014 1.00 0.00 N ATOM 1113 CA ILE A 70 -7.638 4.678 4.330 1.00 0.00 C ATOM 1114 C ILE A 70 -7.370 5.911 5.196 1.00 0.00 C ATOM 1115 O ILE A 70 -7.724 5.936 6.373 1.00 0.00 O ATOM 1116 CB ILE A 70 -9.109 4.501 3.951 1.00 0.00 C ATOM 1117 CG1 ILE A 70 -9.265 3.488 2.816 1.00 0.00 C ATOM 1118 CG2 ILE A 70 -9.753 5.846 3.610 1.00 0.00 C ATOM 1119 CD1 ILE A 70 -10.726 3.061 2.658 1.00 0.00 C ATOM 0 H ILE A 70 -7.253 3.511 6.028 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.106 4.826 3.390 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.638 4.100 4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.907 3.924 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.647 2.613 3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.799 5.692 3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.692 6.508 4.474 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -9.228 6.298 2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.809 2.341 1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.074 2.604 3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.338 3.934 2.433 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.747 6.904 4.578 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.428 8.137 5.277 1.00 0.00 C ATOM 1133 C TYR A 71 -7.336 9.279 4.817 1.00 0.00 C ATOM 1134 O TYR A 71 -7.871 9.244 3.709 1.00 0.00 O ATOM 1135 CB TYR A 71 -4.981 8.471 4.905 1.00 0.00 C ATOM 1136 CG TYR A 71 -4.078 7.244 4.761 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -3.266 6.859 5.808 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -4.074 6.524 3.584 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -2.416 5.704 5.673 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -3.224 5.369 3.448 1.00 0.00 C ATOM 1141 CZ TYR A 71 -2.436 5.017 4.499 1.00 0.00 C ATOM 1142 OH TYR A 71 -1.633 3.926 4.371 1.00 0.00 O ATOM 0 H TYR A 71 -6.455 6.880 3.601 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.566 8.015 6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.976 9.025 3.966 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.563 9.130 5.666 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.268 7.424 6.729 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.709 6.827 2.764 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.777 5.390 6.485 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.213 4.796 2.533 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.752 3.535 3.481 1.00 0.00 H new ATOM 1152 N ASN A 72 -7.482 10.265 5.689 1.00 0.00 N ATOM 1153 CA ASN A 72 -8.316 11.416 5.387 1.00 0.00 C ATOM 1154 C ASN A 72 -7.580 12.328 4.402 1.00 0.00 C ATOM 1155 O ASN A 72 -7.926 12.379 3.221 1.00 0.00 O ATOM 1156 CB ASN A 72 -8.614 12.227 6.649 1.00 0.00 C ATOM 1157 CG ASN A 72 -10.082 12.083 7.059 1.00 0.00 C ATOM 1158 OD1 ASN A 72 -10.899 12.966 6.856 1.00 0.00 O ATOM 1159 ND2 ASN A 72 -10.368 10.925 7.645 1.00 0.00 N ATOM 0 H ASN A 72 -7.036 10.291 6.606 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.252 11.053 4.963 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.971 11.891 7.462 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.383 13.278 6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.320 10.732 7.956 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.635 10.229 7.784 1.00 0.00 H new ATOM 1166 N ASP A 73 -6.582 13.025 4.923 1.00 0.00 N ATOM 1167 CA ASP A 73 -5.796 13.933 4.104 1.00 0.00 C ATOM 1168 C ASP A 73 -4.310 13.617 4.283 1.00 0.00 C ATOM 1169 O ASP A 73 -3.816 13.551 5.408 1.00 0.00 O ATOM 1170 CB ASP A 73 -6.024 15.387 4.520 1.00 0.00 C ATOM 1171 CG ASP A 73 -6.473 15.583 5.969 1.00 0.00 C ATOM 1172 OD1 ASP A 73 -7.623 15.964 6.235 1.00 0.00 O ATOM 1173 OD2 ASP A 73 -5.574 15.325 6.858 1.00 0.00 O ATOM 0 H ASP A 73 -6.299 12.980 5.902 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.103 13.803 3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.099 15.943 4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.774 15.824 3.861 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.637 13.430 3.157 1.00 0.00 N ATOM 1180 CA GLU A 74 -2.218 13.123 3.176 1.00 0.00 C ATOM 1181 C GLU A 74 -1.481 14.072 4.123 1.00 0.00 C ATOM 1182 O GLU A 74 -0.410 13.742 4.630 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.624 13.186 1.767 1.00 0.00 C ATOM 1184 CG GLU A 74 -2.414 12.303 0.798 1.00 0.00 C ATOM 1185 CD GLU A 74 -2.941 13.119 -0.383 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -2.227 13.299 -1.380 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -4.140 13.571 -0.240 1.00 0.00 O ATOM 0 H GLU A 74 -4.049 13.485 2.226 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.093 12.104 3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.629 14.217 1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.583 12.863 1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.777 11.498 0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.248 11.837 1.323 1.00 0.00 H new ATOM 1195 N LYS A 75 -2.085 15.232 4.335 1.00 0.00 N ATOM 1196 CA LYS A 75 -1.500 16.231 5.213 1.00 0.00 C ATOM 1197 C LYS A 75 -1.260 15.614 6.592 1.00 0.00 C ATOM 1198 O LYS A 75 -0.169 15.731 7.146 1.00 0.00 O ATOM 1199 CB LYS A 75 -2.369 17.490 5.245 1.00 0.00 C ATOM 1200 CG LYS A 75 -2.092 18.379 4.031 1.00 0.00 C ATOM 1201 CD LYS A 75 -1.703 19.794 4.465 1.00 0.00 C ATOM 1202 CE LYS A 75 -2.867 20.490 5.173 1.00 0.00 C ATOM 1203 NZ LYS A 75 -2.870 21.938 4.866 1.00 0.00 N ATOM 0 H LYS A 75 -2.974 15.502 3.914 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.530 16.551 4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.422 17.209 5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.174 18.048 6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.291 17.945 3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.977 18.420 3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.842 19.750 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.403 20.376 3.594 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.811 20.044 4.859 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.787 20.341 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.666 22.395 5.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.977 22.363 5.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.969 22.075 3.840 1.00 0.00 H new ATOM 1216 N ALA A 76 -2.298 14.971 7.106 1.00 0.00 N ATOM 1217 CA ALA A 76 -2.213 14.335 8.410 1.00 0.00 C ATOM 1218 C ALA A 76 -1.327 13.091 8.309 1.00 0.00 C ATOM 1219 O ALA A 76 -0.374 12.941 9.072 1.00 0.00 O ATOM 1220 CB ALA A 76 -3.622 14.008 8.910 1.00 0.00 C ATOM 0 H ALA A 76 -3.202 14.877 6.643 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.756 15.007 9.136 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.559 13.531 9.888 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.202 14.927 8.991 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.110 13.332 8.207 1.00 0.00 H new ATOM 1226 N MET A 77 -1.672 12.233 7.361 1.00 0.00 N ATOM 1227 CA MET A 77 -0.919 11.008 7.152 1.00 0.00 C ATOM 1228 C MET A 77 0.575 11.300 7.008 1.00 0.00 C ATOM 1229 O MET A 77 1.405 10.612 7.601 1.00 0.00 O ATOM 1230 CB MET A 77 -1.426 10.307 5.889 1.00 0.00 C ATOM 1231 CG MET A 77 -0.298 9.537 5.199 1.00 0.00 C ATOM 1232 SD MET A 77 -0.981 8.297 4.112 1.00 0.00 S ATOM 1233 CE MET A 77 -0.679 9.071 2.532 1.00 0.00 C ATOM 0 H MET A 77 -2.462 12.361 6.729 1.00 0.00 H new ATOM 0 HA MET A 77 -1.062 10.364 8.019 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.233 9.622 6.148 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.842 11.044 5.202 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.329 10.225 4.631 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.341 9.066 5.945 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.047 8.426 1.734 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.197 10.029 2.491 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.392 9.231 2.404 1.00 0.00 H new ATOM 1243 N ALA A 78 0.873 12.322 6.219 1.00 0.00 N ATOM 1244 CA ALA A 78 2.254 12.714 5.991 1.00 0.00 C ATOM 1245 C ALA A 78 2.968 12.857 7.337 1.00 0.00 C ATOM 1246 O ALA A 78 4.174 12.636 7.430 1.00 0.00 O ATOM 1247 CB ALA A 78 2.289 14.005 5.172 1.00 0.00 C ATOM 0 H ALA A 78 0.182 12.891 5.730 1.00 0.00 H new ATOM 0 HA ALA A 78 2.781 11.950 5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.324 14.299 5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.795 13.842 4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.772 14.795 5.717 1.00 0.00 H new ATOM 1253 N THR A 79 2.192 13.226 8.346 1.00 0.00 N ATOM 1254 CA THR A 79 2.735 13.402 9.681 1.00 0.00 C ATOM 1255 C THR A 79 2.454 12.167 10.538 1.00 0.00 C ATOM 1256 O THR A 79 3.380 11.512 11.014 1.00 0.00 O ATOM 1257 CB THR A 79 2.151 14.691 10.263 1.00 0.00 C ATOM 1258 OG1 THR A 79 2.859 15.728 9.591 1.00 0.00 O ATOM 1259 CG2 THR A 79 2.516 14.887 11.737 1.00 0.00 C ATOM 0 H THR A 79 1.192 13.408 8.265 1.00 0.00 H new ATOM 0 HA THR A 79 3.820 13.502 9.656 1.00 0.00 H new ATOM 0 HB THR A 79 1.066 14.678 10.156 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.541 16.599 9.907 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.077 15.816 12.100 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.132 14.051 12.321 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.600 14.934 11.840 1.00 0.00 H new ATOM 1267 N ILE A 80 1.170 11.885 10.710 1.00 0.00 N ATOM 1268 CA ILE A 80 0.755 10.739 11.502 1.00 0.00 C ATOM 1269 C ILE A 80 1.609 9.527 11.125 1.00 0.00 C ATOM 1270 O ILE A 80 2.500 9.134 11.876 1.00 0.00 O ATOM 1271 CB ILE A 80 -0.749 10.502 11.352 1.00 0.00 C ATOM 1272 CG1 ILE A 80 -1.548 11.490 12.204 1.00 0.00 C ATOM 1273 CG2 ILE A 80 -1.109 9.049 11.670 1.00 0.00 C ATOM 1274 CD1 ILE A 80 -3.050 11.218 12.097 1.00 0.00 C ATOM 0 H ILE A 80 0.404 12.430 10.315 1.00 0.00 H new ATOM 0 HA ILE A 80 0.921 10.928 12.563 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.021 10.681 10.312 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.234 11.414 13.245 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.336 12.509 11.881 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.184 8.907 11.556 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.581 8.385 10.986 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.819 8.818 12.695 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.594 11.934 12.712 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.365 11.319 11.058 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.262 10.207 12.444 1.00 0.00 H new ATOM 1286 N GLU A 81 1.307 8.970 9.961 1.00 0.00 N ATOM 1287 CA GLU A 81 2.037 7.811 9.475 1.00 0.00 C ATOM 1288 C GLU A 81 3.534 8.115 9.411 1.00 0.00 C ATOM 1289 O GLU A 81 3.954 9.241 9.671 1.00 0.00 O ATOM 1290 CB GLU A 81 1.509 7.363 8.111 1.00 0.00 C ATOM 1291 CG GLU A 81 0.430 6.290 8.265 1.00 0.00 C ATOM 1292 CD GLU A 81 -0.754 6.815 9.081 1.00 0.00 C ATOM 1293 OE1 GLU A 81 -1.457 7.732 8.632 1.00 0.00 O ATOM 1294 OE2 GLU A 81 -0.932 6.235 10.219 1.00 0.00 O ATOM 0 H GLU A 81 0.567 9.299 9.341 1.00 0.00 H new ATOM 0 HA GLU A 81 1.883 6.990 10.175 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.100 8.220 7.576 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.330 6.974 7.509 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.085 5.972 7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.852 5.412 8.754 1.00 0.00 H new ATOM 1302 N THR A 82 4.299 7.091 9.062 1.00 0.00 N ATOM 1303 CA THR A 82 5.741 7.235 8.960 1.00 0.00 C ATOM 1304 C THR A 82 6.238 6.691 7.618 1.00 0.00 C ATOM 1305 O THR A 82 5.452 6.181 6.822 1.00 0.00 O ATOM 1306 CB THR A 82 6.373 6.540 10.168 1.00 0.00 C ATOM 1307 OG1 THR A 82 5.889 5.202 10.091 1.00 0.00 O ATOM 1308 CG2 THR A 82 5.822 7.061 11.497 1.00 0.00 C ATOM 0 H THR A 82 3.947 6.158 8.846 1.00 0.00 H new ATOM 0 HA THR A 82 6.035 8.284 8.980 1.00 0.00 H new ATOM 0 HB THR A 82 7.454 6.680 10.144 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.251 4.680 10.837 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.303 6.535 12.322 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.023 8.129 11.581 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.746 6.891 11.537 1.00 0.00 H new ATOM 1316 N LYS A 83 7.541 6.819 7.410 1.00 0.00 N ATOM 1317 CA LYS A 83 8.151 6.346 6.179 1.00 0.00 C ATOM 1318 C LYS A 83 7.865 4.852 6.014 1.00 0.00 C ATOM 1319 O LYS A 83 7.857 4.339 4.896 1.00 0.00 O ATOM 1320 CB LYS A 83 9.641 6.694 6.152 1.00 0.00 C ATOM 1321 CG LYS A 83 10.438 5.762 7.067 1.00 0.00 C ATOM 1322 CD LYS A 83 10.752 6.441 8.402 1.00 0.00 C ATOM 1323 CE LYS A 83 12.171 7.012 8.406 1.00 0.00 C ATOM 1324 NZ LYS A 83 12.168 8.412 7.926 1.00 0.00 N ATOM 0 H LYS A 83 8.190 7.243 8.073 1.00 0.00 H new ATOM 0 HA LYS A 83 7.713 6.851 5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.018 6.618 5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.783 7.728 6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.871 4.848 7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.366 5.471 6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.034 7.240 8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.643 5.722 9.214 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.584 6.968 9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.815 6.405 7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.139 8.784 7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.793 8.446 6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.569 8.991 8.549 1.00 0.00 H new ATOM 1337 N SER A 84 7.640 4.197 7.142 1.00 0.00 N ATOM 1338 CA SER A 84 7.354 2.773 7.137 1.00 0.00 C ATOM 1339 C SER A 84 6.043 2.504 6.394 1.00 0.00 C ATOM 1340 O SER A 84 5.948 1.552 5.622 1.00 0.00 O ATOM 1341 CB SER A 84 7.279 2.220 8.561 1.00 0.00 C ATOM 1342 OG SER A 84 7.942 0.964 8.682 1.00 0.00 O ATOM 0 H SER A 84 7.650 4.626 8.067 1.00 0.00 H new ATOM 0 HA SER A 84 8.168 2.264 6.621 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.727 2.934 9.251 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.235 2.108 8.852 1.00 0.00 H new ATOM 0 HG SER A 84 7.873 0.645 9.606 1.00 0.00 H new ATOM 1348 N VAL A 85 5.067 3.361 6.653 1.00 0.00 N ATOM 1349 CA VAL A 85 3.767 3.229 6.019 1.00 0.00 C ATOM 1350 C VAL A 85 3.847 3.757 4.584 1.00 0.00 C ATOM 1351 O VAL A 85 3.622 3.013 3.631 1.00 0.00 O ATOM 1352 CB VAL A 85 2.701 3.936 6.857 1.00 0.00 C ATOM 1353 CG1 VAL A 85 1.512 4.356 5.991 1.00 0.00 C ATOM 1354 CG2 VAL A 85 2.247 3.055 8.023 1.00 0.00 C ATOM 0 H VAL A 85 5.151 4.150 7.294 1.00 0.00 H new ATOM 0 HA VAL A 85 3.475 2.180 5.964 1.00 0.00 H new ATOM 0 HB VAL A 85 3.147 4.839 7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.769 4.856 6.612 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.852 5.038 5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.067 3.473 5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.489 3.581 8.603 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.828 2.126 7.636 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.101 2.829 8.662 1.00 0.00 H new ATOM 1364 N LEU A 86 4.169 5.038 4.478 1.00 0.00 N ATOM 1365 CA LEU A 86 4.282 5.675 3.177 1.00 0.00 C ATOM 1366 C LEU A 86 5.144 4.804 2.260 1.00 0.00 C ATOM 1367 O LEU A 86 5.031 4.882 1.037 1.00 0.00 O ATOM 1368 CB LEU A 86 4.796 7.108 3.325 1.00 0.00 C ATOM 1369 CG LEU A 86 3.731 8.185 3.539 1.00 0.00 C ATOM 1370 CD1 LEU A 86 2.417 7.567 4.023 1.00 0.00 C ATOM 1371 CD2 LEU A 86 4.235 9.275 4.487 1.00 0.00 C ATOM 0 H LEU A 86 4.355 5.652 5.271 1.00 0.00 H new ATOM 0 HA LEU A 86 3.302 5.759 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.489 7.139 4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.367 7.362 2.432 1.00 0.00 H new ATOM 0 HG LEU A 86 3.530 8.662 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.676 8.354 4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.053 6.858 3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.585 7.049 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.458 10.028 4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.482 8.832 5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.124 9.743 4.064 1.00 0.00 H new ATOM 1383 N GLU A 87 5.985 3.994 2.886 1.00 0.00 N ATOM 1384 CA GLU A 87 6.866 3.109 2.143 1.00 0.00 C ATOM 1385 C GLU A 87 6.050 2.202 1.220 1.00 0.00 C ATOM 1386 O GLU A 87 6.377 2.053 0.043 1.00 0.00 O ATOM 1387 CB GLU A 87 7.740 2.284 3.088 1.00 0.00 C ATOM 1388 CG GLU A 87 9.190 2.773 3.060 1.00 0.00 C ATOM 1389 CD GLU A 87 10.096 1.763 2.352 1.00 0.00 C ATOM 1390 OE1 GLU A 87 10.435 1.954 1.175 1.00 0.00 O ATOM 1391 OE2 GLU A 87 10.448 0.751 3.069 1.00 0.00 O ATOM 0 H GLU A 87 6.075 3.932 3.900 1.00 0.00 H new ATOM 0 HA GLU A 87 7.529 3.719 1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.349 2.352 4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.701 1.233 2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.243 3.735 2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.543 2.932 4.079 1.00 0.00 H new ATOM 1399 N LYS A 88 5.004 1.619 1.788 1.00 0.00 N ATOM 1400 CA LYS A 88 4.138 0.732 1.030 1.00 0.00 C ATOM 1401 C LYS A 88 3.474 1.516 -0.103 1.00 0.00 C ATOM 1402 O LYS A 88 3.243 0.978 -1.184 1.00 0.00 O ATOM 1403 CB LYS A 88 3.144 0.031 1.959 1.00 0.00 C ATOM 1404 CG LYS A 88 2.088 1.012 2.470 1.00 0.00 C ATOM 1405 CD LYS A 88 1.985 0.963 3.996 1.00 0.00 C ATOM 1406 CE LYS A 88 1.372 -0.360 4.461 1.00 0.00 C ATOM 1407 NZ LYS A 88 1.102 -0.322 5.916 1.00 0.00 N ATOM 0 H LYS A 88 4.737 1.744 2.764 1.00 0.00 H new ATOM 0 HA LYS A 88 4.721 -0.063 0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.659 -0.787 1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.676 -0.408 2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.342 2.023 2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.120 0.772 2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.975 1.084 4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.376 1.795 4.350 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.446 -0.550 3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.050 -1.182 4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.998 -1.292 6.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.893 0.145 6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.225 0.209 6.093 1.00 0.00 H new ATOM 1420 N ASN A 89 3.185 2.777 0.184 1.00 0.00 N ATOM 1421 CA ASN A 89 2.552 3.643 -0.796 1.00 0.00 C ATOM 1422 C ASN A 89 3.538 3.929 -1.930 1.00 0.00 C ATOM 1423 O ASN A 89 4.483 4.697 -1.756 1.00 0.00 O ATOM 1424 CB ASN A 89 2.147 4.980 -0.172 1.00 0.00 C ATOM 1425 CG ASN A 89 1.721 5.980 -1.248 1.00 0.00 C ATOM 1426 OD1 ASN A 89 2.320 7.028 -1.429 1.00 0.00 O ATOM 1427 ND2 ASN A 89 0.658 5.600 -1.949 1.00 0.00 N ATOM 0 H ASN A 89 3.378 3.220 1.082 1.00 0.00 H new ATOM 0 HA ASN A 89 1.662 3.136 -1.168 1.00 0.00 H new ATOM 0 HB2 ASN A 89 1.328 4.825 0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.982 5.387 0.398 1.00 0.00 H new ATOM 0 HD21 ASN A 89 0.296 6.199 -2.691 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.204 4.709 -1.745 1.00 0.00 H new ATOM 1434 N LYS A 90 3.286 3.296 -3.066 1.00 0.00 N ATOM 1435 CA LYS A 90 4.140 3.474 -4.227 1.00 0.00 C ATOM 1436 C LYS A 90 4.483 4.956 -4.381 1.00 0.00 C ATOM 1437 O LYS A 90 3.693 5.822 -4.007 1.00 0.00 O ATOM 1438 CB LYS A 90 3.490 2.861 -5.470 1.00 0.00 C ATOM 1439 CG LYS A 90 4.258 1.622 -5.935 1.00 0.00 C ATOM 1440 CD LYS A 90 3.844 1.222 -7.354 1.00 0.00 C ATOM 1441 CE LYS A 90 4.326 2.251 -8.377 1.00 0.00 C ATOM 1442 NZ LYS A 90 4.655 1.592 -9.661 1.00 0.00 N ATOM 0 H LYS A 90 2.502 2.659 -3.207 1.00 0.00 H new ATOM 0 HA LYS A 90 5.081 2.941 -4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.457 2.592 -5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.463 3.599 -6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.329 1.822 -5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.070 0.795 -5.250 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.258 0.243 -7.595 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.759 1.131 -7.408 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.554 3.004 -8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.204 2.771 -7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.981 2.306 -10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.407 0.890 -9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.809 1.117 -10.034 1.00 0.00 H new ATOM 1455 N ILE A 91 5.662 5.204 -4.932 1.00 0.00 N ATOM 1456 CA ILE A 91 6.119 6.568 -5.141 1.00 0.00 C ATOM 1457 C ILE A 91 6.120 6.879 -6.639 1.00 0.00 C ATOM 1458 O ILE A 91 5.165 7.452 -7.158 1.00 0.00 O ATOM 1459 CB ILE A 91 7.475 6.787 -4.465 1.00 0.00 C ATOM 1460 CG1 ILE A 91 7.388 6.525 -2.961 1.00 0.00 C ATOM 1461 CG2 ILE A 91 8.021 8.183 -4.773 1.00 0.00 C ATOM 1462 CD1 ILE A 91 8.416 5.478 -2.527 1.00 0.00 C ATOM 0 H ILE A 91 6.315 4.484 -5.240 1.00 0.00 H new ATOM 0 HA ILE A 91 5.436 7.275 -4.671 1.00 0.00 H new ATOM 0 HB ILE A 91 8.182 6.066 -4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 91 7.557 7.454 -2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.385 6.183 -2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.985 8.313 -4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.145 8.296 -5.850 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.322 8.936 -4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.333 5.310 -1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.229 4.543 -3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 91 9.419 5.834 -2.762 1.00 0.00 H new ATOM 1474 N GLU A 92 7.204 6.484 -7.291 1.00 0.00 N ATOM 1475 CA GLU A 92 7.342 6.713 -8.719 1.00 0.00 C ATOM 1476 C GLU A 92 8.583 5.994 -9.254 1.00 0.00 C ATOM 1477 O GLU A 92 8.507 4.836 -9.659 1.00 0.00 O ATOM 1478 CB GLU A 92 7.397 8.209 -9.032 1.00 0.00 C ATOM 1479 CG GLU A 92 7.669 8.449 -10.519 1.00 0.00 C ATOM 1480 CD GLU A 92 6.422 8.160 -11.358 1.00 0.00 C ATOM 1481 OE1 GLU A 92 6.000 6.999 -11.460 1.00 0.00 O ATOM 1482 OE2 GLU A 92 5.889 9.194 -11.915 1.00 0.00 O ATOM 0 H GLU A 92 7.994 6.007 -6.857 1.00 0.00 H new ATOM 0 HA GLU A 92 6.465 6.303 -9.219 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.454 8.678 -8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.178 8.681 -8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.984 9.481 -10.673 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.490 7.813 -10.850 1.00 0.00 H new ATOM 1490 N GLU A 93 9.696 6.712 -9.239 1.00 0.00 N ATOM 1491 CA GLU A 93 10.951 6.157 -9.716 1.00 0.00 C ATOM 1492 C GLU A 93 11.924 5.963 -8.552 1.00 0.00 C ATOM 1493 O GLU A 93 11.601 6.284 -7.409 1.00 0.00 O ATOM 1494 CB GLU A 93 11.565 7.045 -10.800 1.00 0.00 C ATOM 1495 CG GLU A 93 11.803 8.464 -10.278 1.00 0.00 C ATOM 1496 CD GLU A 93 12.998 9.113 -10.979 1.00 0.00 C ATOM 1497 OE1 GLU A 93 14.144 8.687 -10.774 1.00 0.00 O ATOM 1498 OE2 GLU A 93 12.703 10.094 -11.762 1.00 0.00 O ATOM 0 H GLU A 93 9.755 7.674 -8.904 1.00 0.00 H new ATOM 0 HA GLU A 93 10.748 5.182 -10.160 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.508 6.615 -11.136 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.903 7.078 -11.666 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.910 9.069 -10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.979 8.435 -9.203 1.00 0.00 H new ATOM 1506 N GLU A 94 13.094 5.437 -8.881 1.00 0.00 N ATOM 1507 CA GLU A 94 14.116 5.196 -7.877 1.00 0.00 C ATOM 1508 C GLU A 94 14.936 6.465 -7.638 1.00 0.00 C ATOM 1509 O GLU A 94 14.517 7.560 -8.012 1.00 0.00 O ATOM 1510 CB GLU A 94 15.018 4.028 -8.282 1.00 0.00 C ATOM 1511 CG GLU A 94 15.887 4.398 -9.486 1.00 0.00 C ATOM 1512 CD GLU A 94 16.687 3.190 -9.977 1.00 0.00 C ATOM 1513 OE1 GLU A 94 16.123 2.293 -10.620 1.00 0.00 O ATOM 1514 OE2 GLU A 94 17.939 3.205 -9.669 1.00 0.00 O ATOM 0 H GLU A 94 13.357 5.171 -9.830 1.00 0.00 H new ATOM 0 HA GLU A 94 13.623 4.925 -6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.654 3.747 -7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.407 3.159 -8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.257 4.773 -10.292 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.569 5.204 -9.213 1.00 0.00 H new ATOM 1522 N ALA A 95 16.090 6.277 -7.017 1.00 0.00 N ATOM 1523 CA ALA A 95 16.974 7.393 -6.723 1.00 0.00 C ATOM 1524 C ALA A 95 18.089 6.925 -5.789 1.00 0.00 C ATOM 1525 O ALA A 95 17.968 7.034 -4.569 1.00 0.00 O ATOM 1526 CB ALA A 95 16.160 8.546 -6.129 1.00 0.00 C ATOM 0 H ALA A 95 16.435 5.368 -6.709 1.00 0.00 H new ATOM 0 HA ALA A 95 17.443 7.761 -7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 95 16.822 9.383 -5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 95 15.401 8.862 -6.845 1.00 0.00 H new ATOM 0 HB3 ALA A 95 15.676 8.214 -5.210 1.00 0.00 H new ATOM 1532 N GLU A 96 19.150 6.412 -6.395 1.00 0.00 N ATOM 1533 CA GLU A 96 20.286 5.925 -5.631 1.00 0.00 C ATOM 1534 C GLU A 96 20.563 6.849 -4.443 1.00 0.00 C ATOM 1535 O GLU A 96 20.475 6.428 -3.291 1.00 0.00 O ATOM 1536 CB GLU A 96 21.525 5.788 -6.518 1.00 0.00 C ATOM 1537 CG GLU A 96 21.447 4.525 -7.378 1.00 0.00 C ATOM 1538 CD GLU A 96 22.816 4.170 -7.958 1.00 0.00 C ATOM 1539 OE1 GLU A 96 23.553 3.367 -7.364 1.00 0.00 O ATOM 1540 OE2 GLU A 96 23.109 4.758 -9.067 1.00 0.00 O ATOM 0 H GLU A 96 19.247 6.323 -7.407 1.00 0.00 H new ATOM 0 HA GLU A 96 20.042 4.934 -5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 96 21.616 6.664 -7.160 1.00 0.00 H new ATOM 0 HB3 GLU A 96 22.420 5.754 -5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 96 21.076 3.694 -6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 96 20.733 4.676 -8.188 1.00 0.00 H new ATOM 1548 N ALA A 97 20.891 8.092 -4.765 1.00 0.00 N ATOM 1549 CA ALA A 97 21.181 9.079 -3.738 1.00 0.00 C ATOM 1550 C ALA A 97 21.339 10.454 -4.390 1.00 0.00 C ATOM 1551 O ALA A 97 21.472 10.556 -5.609 1.00 0.00 O ATOM 1552 CB ALA A 97 22.428 8.655 -2.960 1.00 0.00 C ATOM 0 H ALA A 97 20.962 8.438 -5.722 1.00 0.00 H new ATOM 0 HA ALA A 97 20.359 9.145 -3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 97 22.646 9.395 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 97 22.253 7.686 -2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 97 23.275 8.582 -3.642 1.00 0.00 H new ATOM 1558 N GLU A 98 21.321 11.477 -3.550 1.00 0.00 N ATOM 1559 CA GLU A 98 21.462 12.842 -4.028 1.00 0.00 C ATOM 1560 C GLU A 98 21.702 13.795 -2.855 1.00 0.00 C ATOM 1561 O GLU A 98 22.699 14.515 -2.830 1.00 0.00 O ATOM 1562 CB GLU A 98 20.236 13.269 -4.838 1.00 0.00 C ATOM 1563 CG GLU A 98 20.605 14.335 -5.872 1.00 0.00 C ATOM 1564 CD GLU A 98 19.452 14.575 -6.847 1.00 0.00 C ATOM 1565 OE1 GLU A 98 18.494 15.288 -6.511 1.00 0.00 O ATOM 1566 OE2 GLU A 98 19.574 13.992 -7.991 1.00 0.00 O ATOM 0 H GLU A 98 21.211 11.389 -2.540 1.00 0.00 H new ATOM 0 HA GLU A 98 22.328 12.886 -4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 98 19.808 12.402 -5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 98 19.470 13.658 -4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 98 20.857 15.266 -5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 98 21.492 14.021 -6.422 1.00 0.00 H new ATOM 1574 N VAL A 99 20.772 13.767 -1.912 1.00 0.00 N ATOM 1575 CA VAL A 99 20.870 14.618 -0.739 1.00 0.00 C ATOM 1576 C VAL A 99 21.273 16.030 -1.171 1.00 0.00 C ATOM 1577 O VAL A 99 22.442 16.285 -1.458 1.00 0.00 O ATOM 1578 CB VAL A 99 21.838 14.004 0.274 1.00 0.00 C ATOM 1579 CG1 VAL A 99 21.226 12.770 0.940 1.00 0.00 C ATOM 1580 CG2 VAL A 99 23.178 13.665 -0.383 1.00 0.00 C ATOM 0 H VAL A 99 19.947 13.168 -1.937 1.00 0.00 H new ATOM 0 HA VAL A 99 19.904 14.694 -0.240 1.00 0.00 H new ATOM 0 HB VAL A 99 22.024 14.746 1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 99 21.935 12.353 1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 99 20.311 13.053 1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 99 20.996 12.023 0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 99 23.847 13.230 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 99 23.017 12.950 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 99 23.625 14.573 -0.787 1.00 0.00 H new ATOM 1590 N ALA A 100 20.283 16.909 -1.204 1.00 0.00 N ATOM 1591 CA ALA A 100 20.519 18.288 -1.596 1.00 0.00 C ATOM 1592 C ALA A 100 20.783 19.132 -0.346 1.00 0.00 C ATOM 1593 O ALA A 100 21.903 19.587 -0.125 1.00 0.00 O ATOM 1594 CB ALA A 100 19.327 18.801 -2.404 1.00 0.00 C ATOM 0 H ALA A 100 19.315 16.693 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 100 21.400 18.359 -2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 100 19.505 19.836 -2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 100 19.201 18.187 -3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 100 18.424 18.747 -1.795 1.00 0.00 H new ATOM 1600 N GLU A 101 19.730 19.314 0.437 1.00 0.00 N ATOM 1601 CA GLU A 101 19.832 20.095 1.659 1.00 0.00 C ATOM 1602 C GLU A 101 18.525 20.015 2.451 1.00 0.00 C ATOM 1603 O GLU A 101 17.522 19.510 1.951 1.00 0.00 O ATOM 1604 CB GLU A 101 20.200 21.547 1.351 1.00 0.00 C ATOM 1605 CG GLU A 101 20.890 22.204 2.550 1.00 0.00 C ATOM 1606 CD GLU A 101 21.850 23.304 2.095 1.00 0.00 C ATOM 1607 OE1 GLU A 101 23.058 23.057 1.963 1.00 0.00 O ATOM 1608 OE2 GLU A 101 21.301 24.451 1.874 1.00 0.00 O ATOM 0 H GLU A 101 18.802 18.934 0.250 1.00 0.00 H new ATOM 0 HA GLU A 101 20.630 19.675 2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 101 20.859 21.583 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 101 19.301 22.107 1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 101 20.140 22.625 3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 101 21.437 21.451 3.117 1.00 0.00 H new ATOM 1616 N GLU A 102 18.581 20.522 3.674 1.00 0.00 N ATOM 1617 CA GLU A 102 17.414 20.516 4.540 1.00 0.00 C ATOM 1618 C GLU A 102 16.577 21.778 4.313 1.00 0.00 C ATOM 1619 O GLU A 102 16.839 22.542 3.386 1.00 0.00 O ATOM 1620 CB GLU A 102 17.822 20.385 6.008 1.00 0.00 C ATOM 1621 CG GLU A 102 18.586 21.624 6.478 1.00 0.00 C ATOM 1622 CD GLU A 102 17.743 22.453 7.450 1.00 0.00 C ATOM 1623 OE1 GLU A 102 17.064 21.887 8.318 1.00 0.00 O ATOM 1624 OE2 GLU A 102 17.811 23.729 7.278 1.00 0.00 O ATOM 0 H GLU A 102 19.416 20.939 4.086 1.00 0.00 H new ATOM 0 HA GLU A 102 16.803 19.649 4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 102 16.934 20.245 6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 102 18.443 19.499 6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 102 19.514 21.321 6.963 1.00 0.00 H new ATOM 0 HG3 GLU A 102 18.861 22.234 5.618 1.00 0.00 H new TER 1632 GLU A 102