USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 762 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 29 TYR OH : rot -58:sc= 0.322 USER MOD Set 1.2: A 33 HIS :FLIP no HE2:sc= -0.587 F(o=-1.1,f=-0.27) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 43:sc= 0.0871 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.047) USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= 1.03 (180deg=-0.368) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -139:sc= 1.2 (180deg=-0.47) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HE2:sc= -0.824! C(o=-0.82!,f=-4.7!) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 6:sc= 0.737 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc=-0.00651 X(o=-0.0065,f=-0.0065) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 133:sc= 1.25 (180deg=1.06) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 11.304 -7.332 -3.091 1.00 0.00 N ATOM 12 CA LEU A 2 10.652 -6.931 -4.330 1.00 0.00 C ATOM 13 C LEU A 2 9.881 -8.057 -5.021 1.00 0.00 C ATOM 14 O LEU A 2 10.313 -8.573 -6.054 1.00 0.00 O ATOM 15 CB LEU A 2 11.698 -6.295 -5.274 1.00 0.00 C ATOM 16 CG LEU A 2 11.969 -4.802 -5.059 1.00 0.00 C ATOM 17 CD1 LEU A 2 10.803 -3.947 -5.565 1.00 0.00 C ATOM 18 CD2 LEU A 2 12.301 -4.446 -3.605 1.00 0.00 C ATOM 0 HA LEU A 2 9.891 -6.195 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 2 12.638 -6.836 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 2 11.368 -6.441 -6.303 1.00 0.00 H new ATOM 0 HG LEU A 2 12.858 -4.575 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.026 -2.893 -5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 2 10.658 -4.123 -6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.894 -4.216 -5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 2 12.481 -3.374 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.465 -4.722 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 2 13.193 -4.988 -3.292 1.00 0.00 H new ATOM 30 N THR A 3 8.724 -8.416 -4.477 1.00 0.00 N ATOM 31 CA THR A 3 7.878 -9.460 -5.039 1.00 0.00 C ATOM 32 C THR A 3 6.448 -8.927 -5.129 1.00 0.00 C ATOM 33 O THR A 3 6.009 -8.092 -4.333 1.00 0.00 O ATOM 34 CB THR A 3 8.043 -10.769 -4.246 1.00 0.00 C ATOM 35 OG1 THR A 3 9.312 -11.321 -4.556 1.00 0.00 O ATOM 36 CG2 THR A 3 6.980 -11.830 -4.543 1.00 0.00 C ATOM 0 H THR A 3 8.346 -7.989 -3.631 1.00 0.00 H new ATOM 0 HA THR A 3 8.176 -9.719 -6.055 1.00 0.00 H new ATOM 0 HB THR A 3 7.937 -10.506 -3.194 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.436 -12.156 -4.058 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.174 -12.718 -3.941 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.994 -11.435 -4.300 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.015 -12.094 -5.600 1.00 0.00 H new ATOM 44 N THR A 4 5.753 -9.390 -6.156 1.00 0.00 N ATOM 45 CA THR A 4 4.383 -9.075 -6.499 1.00 0.00 C ATOM 46 C THR A 4 3.527 -10.170 -5.856 1.00 0.00 C ATOM 47 O THR A 4 3.539 -11.316 -6.312 1.00 0.00 O ATOM 48 CB THR A 4 4.297 -9.010 -8.041 1.00 0.00 C ATOM 49 OG1 THR A 4 5.026 -10.057 -8.651 1.00 0.00 O ATOM 50 CG2 THR A 4 4.908 -7.712 -8.582 1.00 0.00 C ATOM 0 H THR A 4 6.167 -10.045 -6.819 1.00 0.00 H new ATOM 0 HA THR A 4 4.024 -8.114 -6.131 1.00 0.00 H new ATOM 0 HB THR A 4 3.235 -9.080 -8.275 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.864 -10.894 -8.167 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.831 -7.699 -9.669 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.371 -6.858 -8.170 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.957 -7.655 -8.292 1.00 0.00 H new ATOM 58 N ILE A 5 2.944 -9.873 -4.696 1.00 0.00 N ATOM 59 CA ILE A 5 2.091 -10.790 -3.948 1.00 0.00 C ATOM 60 C ILE A 5 0.688 -10.658 -4.530 1.00 0.00 C ATOM 61 O ILE A 5 0.273 -9.558 -4.898 1.00 0.00 O ATOM 62 CB ILE A 5 2.159 -10.517 -2.419 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.955 -11.126 -1.671 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.312 -9.023 -2.061 1.00 0.00 C ATOM 65 CD1 ILE A 5 1.142 -11.164 -0.161 1.00 0.00 C ATOM 0 H ILE A 5 3.055 -8.967 -4.241 1.00 0.00 H new ATOM 0 HA ILE A 5 2.429 -11.821 -4.051 1.00 0.00 H new ATOM 0 HB ILE A 5 3.069 -11.016 -2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.061 -10.549 -1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.785 -12.139 -2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.352 -8.911 -0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.231 -8.636 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.460 -8.466 -2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.260 -11.604 0.304 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.018 -11.765 0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.283 -10.150 0.214 1.00 0.00 H new ATOM 77 N SER A 6 -0.017 -11.780 -4.638 1.00 0.00 N ATOM 78 CA SER A 6 -1.369 -11.803 -5.161 1.00 0.00 C ATOM 79 C SER A 6 -2.333 -11.386 -4.037 1.00 0.00 C ATOM 80 O SER A 6 -1.992 -11.494 -2.853 1.00 0.00 O ATOM 81 CB SER A 6 -1.670 -13.216 -5.679 1.00 0.00 C ATOM 82 OG SER A 6 -0.552 -13.768 -6.367 1.00 0.00 O ATOM 0 H SER A 6 0.338 -12.696 -4.364 1.00 0.00 H new ATOM 0 HA SER A 6 -1.490 -11.106 -5.990 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.939 -13.862 -4.843 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.531 -13.184 -6.347 1.00 0.00 H new ATOM 0 HG SER A 6 -0.774 -14.669 -6.683 1.00 0.00 H new ATOM 88 N PRO A 7 -3.555 -10.936 -4.352 1.00 0.00 N ATOM 89 CA PRO A 7 -4.508 -10.540 -3.326 1.00 0.00 C ATOM 90 C PRO A 7 -4.964 -11.737 -2.486 1.00 0.00 C ATOM 91 O PRO A 7 -4.567 -12.873 -2.752 1.00 0.00 O ATOM 92 CB PRO A 7 -5.640 -9.875 -4.087 1.00 0.00 C ATOM 93 CG PRO A 7 -5.600 -10.519 -5.462 1.00 0.00 C ATOM 94 CD PRO A 7 -4.107 -10.744 -5.683 1.00 0.00 C ATOM 0 HA PRO A 7 -4.076 -9.856 -2.595 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.600 -10.042 -3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.497 -8.796 -4.149 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.159 -11.455 -5.487 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.029 -9.870 -6.226 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.928 -11.615 -6.314 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.648 -9.890 -6.181 1.00 0.00 H new ATOM 102 N HIS A 8 -5.797 -11.484 -1.468 1.00 0.00 N ATOM 103 CA HIS A 8 -6.344 -12.464 -0.524 1.00 0.00 C ATOM 104 C HIS A 8 -5.256 -12.871 0.481 1.00 0.00 C ATOM 105 O HIS A 8 -5.516 -12.873 1.685 1.00 0.00 O ATOM 106 CB HIS A 8 -6.962 -13.672 -1.253 1.00 0.00 C ATOM 107 CG HIS A 8 -8.072 -14.386 -0.524 1.00 0.00 C ATOM 108 ND1 HIS A 8 -9.277 -14.749 -1.083 1.00 0.00 N ATOM 109 CD2 HIS A 8 -8.027 -14.903 0.743 1.00 0.00 C ATOM 110 CE1 HIS A 8 -9.947 -15.469 -0.171 1.00 0.00 C ATOM 111 NE2 HIS A 8 -9.233 -15.581 0.964 1.00 0.00 N ATOM 0 H HIS A 8 -6.124 -10.538 -1.271 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.162 -12.006 0.032 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.345 -13.333 -2.216 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.169 -14.391 -1.461 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.211 -14.806 1.444 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.925 -15.900 -0.326 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -9.514 -16.064 1.817 1.00 0.00 H new ATOM 119 N ASP A 9 -4.036 -13.142 0.010 1.00 0.00 N ATOM 120 CA ASP A 9 -2.890 -13.533 0.825 1.00 0.00 C ATOM 121 C ASP A 9 -2.417 -12.336 1.623 1.00 0.00 C ATOM 122 O ASP A 9 -2.183 -12.442 2.823 1.00 0.00 O ATOM 123 CB ASP A 9 -1.733 -14.051 -0.043 1.00 0.00 C ATOM 124 CG ASP A 9 -1.885 -15.549 -0.268 1.00 0.00 C ATOM 125 OD1 ASP A 9 -2.888 -15.968 -0.894 1.00 0.00 O ATOM 126 OD2 ASP A 9 -1.043 -16.295 0.279 1.00 0.00 O ATOM 0 H ASP A 9 -3.815 -13.093 -0.984 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.203 -14.338 1.490 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.723 -13.530 -1.000 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.780 -13.842 0.443 1.00 0.00 H new ATOM 131 N ALA A 10 -2.337 -11.164 0.985 1.00 0.00 N ATOM 132 CA ALA A 10 -1.882 -9.974 1.683 1.00 0.00 C ATOM 133 C ALA A 10 -2.762 -9.606 2.862 1.00 0.00 C ATOM 134 O ALA A 10 -2.239 -9.082 3.838 1.00 0.00 O ATOM 135 CB ALA A 10 -1.715 -8.798 0.713 1.00 0.00 C ATOM 0 H ALA A 10 -2.578 -11.022 0.004 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.904 -10.211 2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.374 -7.920 1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.981 -9.057 -0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.671 -8.580 0.238 1.00 0.00 H new ATOM 141 N GLN A 11 -4.064 -9.889 2.806 1.00 0.00 N ATOM 142 CA GLN A 11 -4.976 -9.583 3.898 1.00 0.00 C ATOM 143 C GLN A 11 -4.557 -10.297 5.190 1.00 0.00 C ATOM 144 O GLN A 11 -4.896 -9.843 6.283 1.00 0.00 O ATOM 145 CB GLN A 11 -6.369 -10.064 3.452 1.00 0.00 C ATOM 146 CG GLN A 11 -7.482 -9.820 4.475 1.00 0.00 C ATOM 147 CD GLN A 11 -7.790 -11.039 5.345 1.00 0.00 C ATOM 148 OE1 GLN A 11 -8.331 -12.032 4.861 1.00 0.00 O ATOM 149 NE2 GLN A 11 -7.429 -11.016 6.613 1.00 0.00 N ATOM 0 H GLN A 11 -4.510 -10.335 2.004 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.971 -8.514 4.112 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.632 -9.562 2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.319 -11.131 3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.197 -8.987 5.118 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.389 -9.521 3.949 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.981 -10.186 7.001 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.597 -11.829 7.206 1.00 0.00 H new ATOM 158 N GLU A 12 -3.896 -11.446 5.046 1.00 0.00 N ATOM 159 CA GLU A 12 -3.438 -12.312 6.113 1.00 0.00 C ATOM 160 C GLU A 12 -2.325 -11.601 6.869 1.00 0.00 C ATOM 161 O GLU A 12 -2.512 -11.186 8.013 1.00 0.00 O ATOM 162 CB GLU A 12 -3.019 -13.651 5.460 1.00 0.00 C ATOM 163 CG GLU A 12 -3.241 -14.903 6.302 1.00 0.00 C ATOM 164 CD GLU A 12 -2.438 -14.962 7.597 1.00 0.00 C ATOM 165 OE1 GLU A 12 -1.327 -14.397 7.707 1.00 0.00 O ATOM 166 OE2 GLU A 12 -2.922 -15.607 8.550 1.00 0.00 O ATOM 0 H GLU A 12 -3.656 -11.811 4.124 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.206 -12.536 6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.568 -13.764 4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.961 -13.592 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.301 -14.975 6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.993 -15.776 5.699 1.00 0.00 H new ATOM 173 N LEU A 13 -1.199 -11.403 6.187 1.00 0.00 N ATOM 174 CA LEU A 13 0.001 -10.765 6.702 1.00 0.00 C ATOM 175 C LEU A 13 -0.243 -9.359 7.241 1.00 0.00 C ATOM 176 O LEU A 13 0.294 -9.003 8.291 1.00 0.00 O ATOM 177 CB LEU A 13 1.140 -10.869 5.678 1.00 0.00 C ATOM 178 CG LEU A 13 0.852 -10.434 4.238 1.00 0.00 C ATOM 179 CD1 LEU A 13 0.997 -8.935 3.982 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.804 -11.179 3.305 1.00 0.00 C ATOM 0 H LEU A 13 -1.098 -11.698 5.216 1.00 0.00 H new ATOM 0 HA LEU A 13 0.324 -11.314 7.586 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.976 -10.274 6.046 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.474 -11.906 5.653 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.194 -10.676 4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.774 -8.721 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.303 -8.388 4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.018 -8.625 4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.612 -10.880 2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.834 -10.937 3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.647 -12.253 3.407 1.00 0.00 H new ATOM 192 N ILE A 14 -1.106 -8.576 6.600 1.00 0.00 N ATOM 193 CA ILE A 14 -1.416 -7.225 7.046 1.00 0.00 C ATOM 194 C ILE A 14 -2.047 -7.264 8.443 1.00 0.00 C ATOM 195 O ILE A 14 -1.656 -6.495 9.323 1.00 0.00 O ATOM 196 CB ILE A 14 -2.268 -6.536 5.954 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.450 -5.463 5.207 1.00 0.00 C ATOM 198 CG2 ILE A 14 -3.640 -6.084 6.446 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.743 -5.461 3.705 1.00 0.00 C ATOM 0 H ILE A 14 -1.608 -8.861 5.759 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.519 -6.617 7.167 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.519 -7.288 5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.676 -4.481 5.622 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.387 -5.640 5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.182 -5.610 5.628 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.202 -6.948 6.801 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.517 -5.371 7.261 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.145 -4.690 3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.492 -6.434 3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.801 -5.257 3.541 1.00 0.00 H new ATOM 211 N ALA A 15 -3.007 -8.166 8.684 1.00 0.00 N ATOM 212 CA ALA A 15 -3.657 -8.271 9.985 1.00 0.00 C ATOM 213 C ALA A 15 -2.686 -8.790 11.052 1.00 0.00 C ATOM 214 O ALA A 15 -2.958 -8.668 12.253 1.00 0.00 O ATOM 215 CB ALA A 15 -4.896 -9.161 9.871 1.00 0.00 C ATOM 0 H ALA A 15 -3.347 -8.832 7.990 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.972 -7.277 10.302 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.380 -9.238 10.845 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.592 -8.726 9.153 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.601 -10.154 9.533 1.00 0.00 H new ATOM 221 N ARG A 16 -1.560 -9.372 10.635 1.00 0.00 N ATOM 222 CA ARG A 16 -0.534 -9.903 11.519 1.00 0.00 C ATOM 223 C ARG A 16 0.354 -8.746 11.955 1.00 0.00 C ATOM 224 O ARG A 16 0.491 -8.524 13.156 1.00 0.00 O ATOM 225 CB ARG A 16 0.255 -11.022 10.834 1.00 0.00 C ATOM 226 CG ARG A 16 -0.655 -12.154 10.328 1.00 0.00 C ATOM 227 CD ARG A 16 -0.545 -13.403 11.218 1.00 0.00 C ATOM 228 NE ARG A 16 -0.950 -14.620 10.498 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.637 -15.885 10.798 1.00 0.00 C ATOM 230 NH1 ARG A 16 0.050 -16.175 11.896 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.056 -16.870 10.023 1.00 0.00 N ATOM 0 H ARG A 16 -1.336 -9.487 9.647 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.986 -10.356 12.402 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.815 -10.608 9.996 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.984 -11.430 11.534 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.689 -11.810 10.308 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.384 -12.410 9.304 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.482 -13.512 11.568 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.171 -13.277 12.101 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.537 -14.483 9.675 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.347 -15.428 12.524 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.281 -17.145 12.112 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.618 -16.665 9.197 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.818 -17.835 10.251 1.00 0.00 H new ATOM 245 N GLY A 17 0.879 -7.971 11.002 1.00 0.00 N ATOM 246 CA GLY A 17 1.735 -6.832 11.300 1.00 0.00 C ATOM 247 C GLY A 17 2.220 -6.055 10.078 1.00 0.00 C ATOM 248 O GLY A 17 2.455 -4.851 10.221 1.00 0.00 O ATOM 0 H GLY A 17 0.720 -8.120 10.006 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.192 -6.150 11.954 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.603 -7.184 11.857 1.00 0.00 H new ATOM 252 N ALA A 18 2.295 -6.681 8.895 1.00 0.00 N ATOM 253 CA ALA A 18 2.760 -6.066 7.656 1.00 0.00 C ATOM 254 C ALA A 18 2.072 -4.727 7.405 1.00 0.00 C ATOM 255 O ALA A 18 0.852 -4.596 7.523 1.00 0.00 O ATOM 256 CB ALA A 18 2.547 -7.001 6.466 1.00 0.00 C ATOM 0 H ALA A 18 2.025 -7.657 8.777 1.00 0.00 H new ATOM 0 HA ALA A 18 3.829 -5.883 7.767 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.902 -6.518 5.556 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.101 -7.926 6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.485 -7.227 6.366 1.00 0.00 H new ATOM 262 N LYS A 19 2.868 -3.713 7.080 1.00 0.00 N ATOM 263 CA LYS A 19 2.360 -2.375 6.806 1.00 0.00 C ATOM 264 C LYS A 19 2.230 -2.155 5.312 1.00 0.00 C ATOM 265 O LYS A 19 2.862 -2.856 4.532 1.00 0.00 O ATOM 266 CB LYS A 19 3.302 -1.335 7.442 1.00 0.00 C ATOM 267 CG LYS A 19 2.787 -0.917 8.824 1.00 0.00 C ATOM 268 CD LYS A 19 1.528 -0.040 8.720 1.00 0.00 C ATOM 269 CE LYS A 19 0.282 -0.741 9.271 1.00 0.00 C ATOM 270 NZ LYS A 19 -0.890 0.154 9.252 1.00 0.00 N ATOM 0 H LYS A 19 3.881 -3.796 7.000 1.00 0.00 H new ATOM 0 HA LYS A 19 1.368 -2.264 7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.305 -1.752 7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.377 -0.460 6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.563 -1.806 9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.568 -0.371 9.354 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.690 0.890 9.265 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.360 0.228 7.677 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.072 -1.632 8.679 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.471 -1.074 10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.564 -0.140 9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.584 1.131 9.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.350 0.103 8.321 1.00 0.00 H new ATOM 284 N LEU A 20 1.427 -1.179 4.906 1.00 0.00 N ATOM 285 CA LEU A 20 1.229 -0.803 3.513 1.00 0.00 C ATOM 286 C LEU A 20 1.420 0.713 3.486 1.00 0.00 C ATOM 287 O LEU A 20 1.093 1.382 4.471 1.00 0.00 O ATOM 288 CB LEU A 20 -0.117 -1.312 2.970 1.00 0.00 C ATOM 289 CG LEU A 20 -0.144 -1.445 1.428 1.00 0.00 C ATOM 290 CD1 LEU A 20 -1.289 -2.363 1.014 1.00 0.00 C ATOM 291 CD2 LEU A 20 -0.248 -0.137 0.631 1.00 0.00 C ATOM 0 H LEU A 20 0.881 -0.612 5.555 1.00 0.00 H new ATOM 0 HA LEU A 20 1.942 -1.270 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.337 -2.282 3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.908 -0.631 3.283 1.00 0.00 H new ATOM 0 HG LEU A 20 0.834 -1.855 1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.307 -2.456 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.146 -3.347 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.234 -1.943 1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.258 -0.361 -0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.168 0.382 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.608 0.498 0.860 1.00 0.00 H new ATOM 303 N ILE A 21 1.961 1.265 2.404 1.00 0.00 N ATOM 304 CA ILE A 21 2.218 2.692 2.246 1.00 0.00 C ATOM 305 C ILE A 21 1.429 3.201 1.062 1.00 0.00 C ATOM 306 O ILE A 21 1.476 2.628 -0.030 1.00 0.00 O ATOM 307 CB ILE A 21 3.721 2.959 2.059 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.599 2.168 3.042 1.00 0.00 C ATOM 309 CG2 ILE A 21 4.014 4.467 2.161 1.00 0.00 C ATOM 310 CD1 ILE A 21 4.336 2.497 4.512 1.00 0.00 C ATOM 0 H ILE A 21 2.240 0.716 1.591 1.00 0.00 H new ATOM 0 HA ILE A 21 1.903 3.220 3.146 1.00 0.00 H new ATOM 0 HB ILE A 21 3.981 2.607 1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.435 1.102 2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.647 2.366 2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.082 4.640 2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.460 4.998 1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.708 4.832 3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.994 1.899 5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.529 3.555 4.688 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.298 2.272 4.755 1.00 0.00 H new ATOM 322 N ASP A 22 0.712 4.293 1.300 1.00 0.00 N ATOM 323 CA ASP A 22 -0.114 4.908 0.291 1.00 0.00 C ATOM 324 C ASP A 22 0.691 5.885 -0.545 1.00 0.00 C ATOM 325 O ASP A 22 0.899 7.016 -0.091 1.00 0.00 O ATOM 326 CB ASP A 22 -1.258 5.679 0.952 1.00 0.00 C ATOM 327 CG ASP A 22 -2.401 4.812 1.421 1.00 0.00 C ATOM 328 OD1 ASP A 22 -2.962 5.104 2.498 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.810 3.913 0.649 1.00 0.00 O ATOM 0 H ASP A 22 0.693 4.770 2.201 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.505 4.115 -0.347 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.863 6.232 1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.641 6.414 0.245 1.00 0.00 H new ATOM 334 N ILE A 23 1.100 5.506 -1.762 1.00 0.00 N ATOM 335 CA ILE A 23 1.894 6.398 -2.603 1.00 0.00 C ATOM 336 C ILE A 23 1.215 6.818 -3.928 1.00 0.00 C ATOM 337 O ILE A 23 1.935 7.064 -4.901 1.00 0.00 O ATOM 338 CB ILE A 23 3.260 5.715 -2.875 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.095 4.456 -3.755 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.085 5.320 -1.635 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.107 4.469 -4.890 1.00 0.00 C ATOM 0 H ILE A 23 0.895 4.598 -2.179 1.00 0.00 H new ATOM 0 HA ILE A 23 2.016 7.333 -2.056 1.00 0.00 H new ATOM 0 HB ILE A 23 3.821 6.498 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.230 3.560 -3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.084 4.417 -4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.017 4.852 -1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.307 6.211 -1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.515 4.617 -1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.979 3.576 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.952 5.355 -5.505 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.116 4.485 -4.478 1.00 0.00 H new ATOM 353 N ARG A 24 -0.113 7.037 -4.002 1.00 0.00 N ATOM 354 CA ARG A 24 -0.711 7.479 -5.265 1.00 0.00 C ATOM 355 C ARG A 24 -0.963 8.965 -5.176 1.00 0.00 C ATOM 356 O ARG A 24 -0.190 9.739 -5.749 1.00 0.00 O ATOM 357 CB ARG A 24 -1.938 6.685 -5.730 1.00 0.00 C ATOM 358 CG ARG A 24 -2.651 5.847 -4.684 1.00 0.00 C ATOM 359 CD ARG A 24 -3.418 6.615 -3.584 1.00 0.00 C ATOM 360 NE ARG A 24 -4.569 5.803 -3.200 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.104 5.455 -2.018 1.00 0.00 C ATOM 362 NH1 ARG A 24 -4.710 5.990 -0.869 1.00 0.00 N ATOM 363 NH2 ARG A 24 -6.074 4.543 -2.001 1.00 0.00 N ATOM 0 H ARG A 24 -0.767 6.919 -3.229 1.00 0.00 H new ATOM 0 HA ARG A 24 0.007 7.267 -6.058 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.658 7.388 -6.150 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.628 6.025 -6.540 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.356 5.192 -5.196 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.913 5.207 -4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.774 6.797 -2.724 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.742 7.589 -3.952 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.074 5.418 -3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.973 6.695 -0.861 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.144 5.696 0.006 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.396 4.124 -2.874 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.495 4.263 -1.115 1.00 0.00 H new ATOM 377 N ASP A 25 -2.038 9.363 -4.508 1.00 0.00 N ATOM 378 CA ASP A 25 -2.417 10.751 -4.357 1.00 0.00 C ATOM 379 C ASP A 25 -3.303 10.908 -3.130 1.00 0.00 C ATOM 380 O ASP A 25 -3.870 9.930 -2.634 1.00 0.00 O ATOM 381 CB ASP A 25 -3.181 11.185 -5.616 1.00 0.00 C ATOM 382 CG ASP A 25 -2.976 12.669 -5.913 1.00 0.00 C ATOM 383 OD1 ASP A 25 -2.980 13.027 -7.114 1.00 0.00 O ATOM 384 OD2 ASP A 25 -2.676 13.446 -4.978 1.00 0.00 O ATOM 0 H ASP A 25 -2.678 8.714 -4.050 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.531 11.372 -4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.846 10.593 -6.468 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.244 10.983 -5.485 1.00 0.00 H new ATOM 389 N ALA A 26 -3.409 12.132 -2.629 1.00 0.00 N ATOM 390 CA ALA A 26 -4.200 12.488 -1.460 1.00 0.00 C ATOM 391 C ALA A 26 -5.702 12.455 -1.746 1.00 0.00 C ATOM 392 O ALA A 26 -6.489 12.095 -0.871 1.00 0.00 O ATOM 393 CB ALA A 26 -3.797 13.898 -1.034 1.00 0.00 C ATOM 0 H ALA A 26 -2.929 12.932 -3.041 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.006 11.760 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.375 14.193 -0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.735 13.915 -0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.993 14.594 -1.849 1.00 0.00 H new ATOM 399 N ASP A 27 -6.104 12.803 -2.969 1.00 0.00 N ATOM 400 CA ASP A 27 -7.497 12.842 -3.406 1.00 0.00 C ATOM 401 C ASP A 27 -8.185 11.483 -3.318 1.00 0.00 C ATOM 402 O ASP A 27 -9.396 11.447 -3.109 1.00 0.00 O ATOM 403 CB ASP A 27 -7.601 13.401 -4.837 1.00 0.00 C ATOM 404 CG ASP A 27 -7.884 14.903 -4.838 1.00 0.00 C ATOM 405 OD1 ASP A 27 -8.832 15.334 -5.540 1.00 0.00 O ATOM 406 OD2 ASP A 27 -7.203 15.662 -4.107 1.00 0.00 O ATOM 0 H ASP A 27 -5.449 13.073 -3.703 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.020 13.507 -2.719 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.672 13.205 -5.373 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.394 12.881 -5.374 1.00 0.00 H new ATOM 411 N GLU A 28 -7.445 10.377 -3.444 1.00 0.00 N ATOM 412 CA GLU A 28 -8.021 9.036 -3.376 1.00 0.00 C ATOM 413 C GLU A 28 -8.413 8.674 -1.943 1.00 0.00 C ATOM 414 O GLU A 28 -9.507 8.146 -1.736 1.00 0.00 O ATOM 415 CB GLU A 28 -7.031 7.989 -3.903 1.00 0.00 C ATOM 416 CG GLU A 28 -6.591 8.254 -5.350 1.00 0.00 C ATOM 417 CD GLU A 28 -6.444 6.961 -6.154 1.00 0.00 C ATOM 418 OE1 GLU A 28 -7.038 6.877 -7.258 1.00 0.00 O ATOM 419 OE2 GLU A 28 -5.806 5.997 -5.680 1.00 0.00 O ATOM 0 H GLU A 28 -6.436 10.388 -3.595 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.915 9.037 -4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.152 7.972 -3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.489 7.002 -3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.320 8.902 -5.837 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.641 8.788 -5.347 1.00 0.00 H new ATOM 426 N TYR A 29 -7.516 8.980 -0.992 1.00 0.00 N ATOM 427 CA TYR A 29 -7.630 8.738 0.454 1.00 0.00 C ATOM 428 C TYR A 29 -8.898 9.379 1.043 1.00 0.00 C ATOM 429 O TYR A 29 -9.387 9.005 2.116 1.00 0.00 O ATOM 430 CB TYR A 29 -6.365 9.280 1.143 1.00 0.00 C ATOM 431 CG TYR A 29 -6.125 8.815 2.573 1.00 0.00 C ATOM 432 CD1 TYR A 29 -5.159 7.826 2.848 1.00 0.00 C ATOM 433 CD2 TYR A 29 -6.844 9.390 3.641 1.00 0.00 C ATOM 434 CE1 TYR A 29 -4.913 7.418 4.171 1.00 0.00 C ATOM 435 CE2 TYR A 29 -6.605 8.989 4.965 1.00 0.00 C ATOM 436 CZ TYR A 29 -5.636 7.999 5.237 1.00 0.00 C ATOM 437 OH TYR A 29 -5.417 7.595 6.520 1.00 0.00 O ATOM 0 H TYR A 29 -6.634 9.433 -1.229 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.716 7.666 0.629 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.500 8.998 0.542 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.414 10.369 1.141 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.604 7.378 2.037 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.587 10.147 3.438 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.171 6.660 4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.162 9.437 5.775 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.589 6.633 6.594 1.00 0.00 H new ATOM 447 N LEU A 30 -9.420 10.395 0.355 1.00 0.00 N ATOM 448 CA LEU A 30 -10.605 11.117 0.741 1.00 0.00 C ATOM 449 C LEU A 30 -11.805 10.179 0.753 1.00 0.00 C ATOM 450 O LEU A 30 -12.496 10.065 1.771 1.00 0.00 O ATOM 451 CB LEU A 30 -10.784 12.284 -0.237 1.00 0.00 C ATOM 452 CG LEU A 30 -11.841 13.291 0.227 1.00 0.00 C ATOM 453 CD1 LEU A 30 -11.502 14.659 -0.364 1.00 0.00 C ATOM 454 CD2 LEU A 30 -13.261 12.910 -0.219 1.00 0.00 C ATOM 0 H LEU A 30 -9.007 10.739 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.513 11.517 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.830 12.797 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.066 11.893 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.827 13.302 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.246 15.388 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.516 14.970 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.502 14.595 -1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.968 13.659 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.300 12.863 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.524 11.937 0.195 1.00 0.00 H new ATOM 466 N ARG A 31 -12.092 9.547 -0.388 1.00 0.00 N ATOM 467 CA ARG A 31 -13.229 8.649 -0.483 1.00 0.00 C ATOM 468 C ARG A 31 -12.880 7.245 -0.006 1.00 0.00 C ATOM 469 O ARG A 31 -13.579 6.714 0.855 1.00 0.00 O ATOM 470 CB ARG A 31 -13.797 8.584 -1.903 1.00 0.00 C ATOM 471 CG ARG A 31 -14.261 9.910 -2.524 1.00 0.00 C ATOM 472 CD ARG A 31 -15.460 9.716 -3.476 1.00 0.00 C ATOM 473 NE ARG A 31 -15.327 8.522 -4.330 1.00 0.00 N ATOM 474 CZ ARG A 31 -16.277 7.612 -4.581 1.00 0.00 C ATOM 475 NH1 ARG A 31 -17.569 7.921 -4.472 1.00 0.00 N ATOM 476 NH2 ARG A 31 -15.928 6.385 -4.939 1.00 0.00 N ATOM 0 H ARG A 31 -11.553 9.644 -1.249 1.00 0.00 H new ATOM 0 HA ARG A 31 -13.995 9.062 0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.037 8.152 -2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.642 7.896 -1.900 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.537 10.605 -1.731 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.434 10.363 -3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.375 9.636 -2.889 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -15.563 10.599 -4.107 1.00 0.00 H new ATOM 0 HE ARG A 31 -14.421 8.374 -4.774 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -17.847 8.862 -4.194 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -18.280 7.216 -4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.942 6.139 -5.022 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -16.646 5.686 -5.132 1.00 0.00 H new ATOM 490 N GLU A 32 -11.863 6.623 -0.589 1.00 0.00 N ATOM 491 CA GLU A 32 -11.412 5.269 -0.287 1.00 0.00 C ATOM 492 C GLU A 32 -10.080 5.288 0.467 1.00 0.00 C ATOM 493 O GLU A 32 -9.565 6.348 0.782 1.00 0.00 O ATOM 494 CB GLU A 32 -11.240 4.552 -1.649 1.00 0.00 C ATOM 495 CG GLU A 32 -12.543 4.116 -2.343 1.00 0.00 C ATOM 496 CD GLU A 32 -13.241 5.219 -3.151 1.00 0.00 C ATOM 497 OE1 GLU A 32 -12.754 5.620 -4.241 1.00 0.00 O ATOM 498 OE2 GLU A 32 -14.351 5.630 -2.756 1.00 0.00 O ATOM 0 H GLU A 32 -11.305 7.068 -1.318 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.133 4.757 0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.696 5.215 -2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.617 3.670 -1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.322 3.282 -3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.235 3.746 -1.587 1.00 0.00 H new ATOM 505 N HIS A 33 -9.546 4.113 0.803 1.00 0.00 N ATOM 506 CA HIS A 33 -8.276 3.925 1.487 1.00 0.00 C ATOM 507 C HIS A 33 -7.685 2.652 0.859 1.00 0.00 C ATOM 508 O HIS A 33 -7.590 2.602 -0.366 1.00 0.00 O ATOM 509 CB HIS A 33 -8.513 3.871 2.998 1.00 0.00 C ATOM 510 CG HIS A 33 -7.322 4.003 3.932 1.00 0.00 C ATOM 511 ND1 HIS A 33 -6.220 3.191 4.046 1.00 0.00 N flip ATOM 512 CD2 HIS A 33 -7.249 4.916 4.960 1.00 0.00 C flip ATOM 513 CE1 HIS A 33 -5.500 3.591 5.168 1.00 0.00 C flip ATOM 514 NE2 HIS A 33 -6.135 4.658 5.664 1.00 0.00 N flip ATOM 0 H HIS A 33 -10.012 3.230 0.594 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.562 4.740 1.366 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.219 4.663 3.250 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.004 2.924 3.221 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -5.972 2.427 3.417 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.962 5.701 5.164 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.605 3.131 5.560 1.00 0.00 H new ATOM 522 N ILE A 34 -7.378 1.608 1.640 1.00 0.00 N ATOM 523 CA ILE A 34 -6.805 0.320 1.246 1.00 0.00 C ATOM 524 C ILE A 34 -6.648 -0.533 2.535 1.00 0.00 C ATOM 525 O ILE A 34 -6.799 0.016 3.632 1.00 0.00 O ATOM 526 CB ILE A 34 -5.409 0.583 0.574 1.00 0.00 C ATOM 527 CG1 ILE A 34 -5.266 -0.094 -0.815 1.00 0.00 C ATOM 528 CG2 ILE A 34 -4.228 0.345 1.534 1.00 0.00 C ATOM 529 CD1 ILE A 34 -3.941 -0.795 -1.153 1.00 0.00 C ATOM 0 H ILE A 34 -7.538 1.649 2.646 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.439 -0.208 0.534 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.367 1.650 0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.065 -0.830 -0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.442 0.667 -1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.291 0.542 1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.315 1.013 2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.241 -0.689 1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.998 -1.217 -2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.126 -0.073 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.758 -1.593 -0.433 1.00 0.00 H new ATOM 541 N PRO A 35 -6.298 -1.829 2.441 1.00 0.00 N ATOM 542 CA PRO A 35 -6.067 -2.695 3.578 1.00 0.00 C ATOM 543 C PRO A 35 -4.757 -2.331 4.312 1.00 0.00 C ATOM 544 O PRO A 35 -3.656 -2.662 3.878 1.00 0.00 O ATOM 545 CB PRO A 35 -6.070 -4.131 3.033 1.00 0.00 C ATOM 546 CG PRO A 35 -5.704 -3.994 1.557 1.00 0.00 C ATOM 547 CD PRO A 35 -6.122 -2.575 1.212 1.00 0.00 C ATOM 0 HA PRO A 35 -6.845 -2.580 4.332 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.350 -4.755 3.562 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.047 -4.598 3.156 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.637 -4.148 1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.230 -4.726 0.944 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.366 -2.100 0.587 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.049 -2.583 0.639 1.00 0.00 H new ATOM 555 N GLU A 36 -4.921 -1.628 5.431 1.00 0.00 N ATOM 556 CA GLU A 36 -3.958 -1.180 6.429 1.00 0.00 C ATOM 557 C GLU A 36 -2.837 -0.178 6.088 1.00 0.00 C ATOM 558 O GLU A 36 -1.734 -0.282 6.644 1.00 0.00 O ATOM 559 CB GLU A 36 -3.426 -2.457 7.108 1.00 0.00 C ATOM 560 CG GLU A 36 -3.232 -2.263 8.612 1.00 0.00 C ATOM 561 CD GLU A 36 -4.440 -2.705 9.440 1.00 0.00 C ATOM 562 OE1 GLU A 36 -5.512 -2.081 9.260 1.00 0.00 O ATOM 563 OE2 GLU A 36 -4.288 -3.615 10.298 1.00 0.00 O ATOM 0 H GLU A 36 -5.858 -1.320 5.690 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.527 -0.508 7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.122 -3.278 6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.477 -2.742 6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.355 -2.824 8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.028 -1.211 8.812 1.00 0.00 H new ATOM 570 N ALA A 37 -3.082 0.822 5.242 1.00 0.00 N ATOM 571 CA ALA A 37 -2.050 1.802 4.891 1.00 0.00 C ATOM 572 C ALA A 37 -2.079 3.095 5.721 1.00 0.00 C ATOM 573 O ALA A 37 -2.764 3.192 6.749 1.00 0.00 O ATOM 574 CB ALA A 37 -2.131 2.096 3.397 1.00 0.00 C ATOM 0 H ALA A 37 -3.982 0.976 4.787 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.090 1.350 5.139 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.366 2.824 3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.969 1.176 2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.115 2.498 3.158 1.00 0.00 H new ATOM 580 N ASP A 38 -1.240 4.051 5.307 1.00 0.00 N ATOM 581 CA ASP A 38 -1.064 5.388 5.857 1.00 0.00 C ATOM 582 C ASP A 38 -0.609 6.288 4.700 1.00 0.00 C ATOM 583 O ASP A 38 0.280 5.895 3.936 1.00 0.00 O ATOM 584 CB ASP A 38 -0.010 5.388 6.957 1.00 0.00 C ATOM 585 CG ASP A 38 0.173 6.785 7.558 1.00 0.00 C ATOM 586 OD1 ASP A 38 -0.788 7.362 8.120 1.00 0.00 O ATOM 587 OD2 ASP A 38 1.304 7.315 7.525 1.00 0.00 O ATOM 0 H ASP A 38 -0.619 3.890 4.514 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.996 5.744 6.297 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.301 4.689 7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.940 5.037 6.553 1.00 0.00 H new ATOM 592 N LEU A 39 -1.205 7.480 4.586 1.00 0.00 N ATOM 593 CA LEU A 39 -0.960 8.493 3.561 1.00 0.00 C ATOM 594 C LEU A 39 0.494 8.947 3.489 1.00 0.00 C ATOM 595 O LEU A 39 0.964 9.622 4.413 1.00 0.00 O ATOM 596 CB LEU A 39 -1.879 9.705 3.818 1.00 0.00 C ATOM 597 CG LEU A 39 -1.687 10.871 2.824 1.00 0.00 C ATOM 598 CD1 LEU A 39 -2.123 10.489 1.407 1.00 0.00 C ATOM 599 CD2 LEU A 39 -2.507 12.083 3.268 1.00 0.00 C ATOM 0 H LEU A 39 -1.917 7.779 5.252 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.183 8.035 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.917 9.374 3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.702 10.072 4.829 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.623 11.110 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.972 11.337 0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.530 9.643 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.178 10.215 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.364 12.899 2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.563 11.815 3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.180 12.401 4.258 1.00 0.00 H new ATOM 611 N ALA A 40 1.200 8.645 2.396 1.00 0.00 N ATOM 612 CA ALA A 40 2.584 9.054 2.196 1.00 0.00 C ATOM 613 C ALA A 40 2.916 9.100 0.690 1.00 0.00 C ATOM 614 O ALA A 40 3.587 8.193 0.203 1.00 0.00 O ATOM 615 CB ALA A 40 3.520 8.123 2.972 1.00 0.00 C ATOM 0 H ALA A 40 0.819 8.104 1.620 1.00 0.00 H new ATOM 0 HA ALA A 40 2.729 10.062 2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.553 8.435 2.818 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.281 8.170 4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.393 7.100 2.617 1.00 0.00 H new ATOM 621 N PRO A 41 2.482 10.137 -0.055 1.00 0.00 N ATOM 622 CA PRO A 41 2.752 10.248 -1.488 1.00 0.00 C ATOM 623 C PRO A 41 4.251 10.322 -1.810 1.00 0.00 C ATOM 624 O PRO A 41 5.087 10.577 -0.939 1.00 0.00 O ATOM 625 CB PRO A 41 1.995 11.494 -1.964 1.00 0.00 C ATOM 626 CG PRO A 41 1.741 12.308 -0.700 1.00 0.00 C ATOM 627 CD PRO A 41 1.679 11.260 0.409 1.00 0.00 C ATOM 0 HA PRO A 41 2.412 9.354 -2.012 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.582 12.060 -2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.060 11.224 -2.454 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.539 13.029 -0.523 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.811 12.872 -0.769 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.070 11.659 1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.651 10.953 0.598 1.00 0.00 H new ATOM 635 N LEU A 42 4.606 10.166 -3.089 1.00 0.00 N ATOM 636 CA LEU A 42 5.998 10.206 -3.546 1.00 0.00 C ATOM 637 C LEU A 42 6.724 11.474 -3.077 1.00 0.00 C ATOM 638 O LEU A 42 7.918 11.419 -2.775 1.00 0.00 O ATOM 639 CB LEU A 42 6.048 10.048 -5.073 1.00 0.00 C ATOM 640 CG LEU A 42 7.463 10.127 -5.681 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.335 8.976 -5.172 1.00 0.00 C ATOM 642 CD2 LEU A 42 7.382 10.065 -7.209 1.00 0.00 C ATOM 0 H LEU A 42 3.933 10.008 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 42 6.531 9.370 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.605 9.089 -5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.429 10.822 -5.526 1.00 0.00 H new ATOM 0 HG LEU A 42 7.912 11.072 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.329 9.050 -5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.414 9.032 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.883 8.025 -5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.386 10.122 -7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.915 9.128 -7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.788 10.902 -7.576 1.00 0.00 H new ATOM 654 N SER A 43 6.003 12.591 -2.954 1.00 0.00 N ATOM 655 CA SER A 43 6.544 13.862 -2.511 1.00 0.00 C ATOM 656 C SER A 43 7.238 13.692 -1.160 1.00 0.00 C ATOM 657 O SER A 43 8.431 13.981 -1.041 1.00 0.00 O ATOM 658 CB SER A 43 5.429 14.911 -2.395 1.00 0.00 C ATOM 659 OG SER A 43 4.463 14.804 -3.423 1.00 0.00 O ATOM 0 H SER A 43 5.006 12.630 -3.166 1.00 0.00 H new ATOM 0 HA SER A 43 7.271 14.205 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.937 14.805 -1.428 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.870 15.907 -2.420 1.00 0.00 H new ATOM 0 HG SER A 43 3.777 15.493 -3.300 1.00 0.00 H new ATOM 665 N VAL A 44 6.503 13.189 -0.160 1.00 0.00 N ATOM 666 CA VAL A 44 7.005 12.995 1.190 1.00 0.00 C ATOM 667 C VAL A 44 8.083 11.915 1.263 1.00 0.00 C ATOM 668 O VAL A 44 9.027 12.042 2.046 1.00 0.00 O ATOM 669 CB VAL A 44 5.830 12.821 2.168 1.00 0.00 C ATOM 670 CG1 VAL A 44 5.210 11.427 2.251 1.00 0.00 C ATOM 671 CG2 VAL A 44 6.266 13.258 3.560 1.00 0.00 C ATOM 0 H VAL A 44 5.531 12.904 -0.276 1.00 0.00 H new ATOM 0 HA VAL A 44 7.533 13.893 1.511 1.00 0.00 H new ATOM 0 HB VAL A 44 5.039 13.450 1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.394 11.434 2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.826 11.141 1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.968 10.710 2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.436 13.136 4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.107 12.646 3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.568 14.305 3.535 1.00 0.00 H new ATOM 681 N LEU A 45 7.982 10.876 0.432 1.00 0.00 N ATOM 682 CA LEU A 45 8.965 9.792 0.389 1.00 0.00 C ATOM 683 C LEU A 45 10.333 10.381 0.021 1.00 0.00 C ATOM 684 O LEU A 45 11.352 10.042 0.618 1.00 0.00 O ATOM 685 CB LEU A 45 8.528 8.729 -0.630 1.00 0.00 C ATOM 686 CG LEU A 45 7.480 7.700 -0.154 1.00 0.00 C ATOM 687 CD1 LEU A 45 8.131 6.384 0.282 1.00 0.00 C ATOM 688 CD2 LEU A 45 6.602 8.108 1.034 1.00 0.00 C ATOM 0 H LEU A 45 7.215 10.762 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 45 9.037 9.310 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.129 9.241 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.415 8.185 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 45 6.853 7.613 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.359 5.687 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.677 5.953 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.821 6.574 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.909 7.300 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.232 8.309 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.039 9.006 0.779 1.00 0.00 H new ATOM 700 N GLU A 46 10.364 11.301 -0.935 1.00 0.00 N ATOM 701 CA GLU A 46 11.560 11.968 -1.403 1.00 0.00 C ATOM 702 C GLU A 46 11.954 13.157 -0.506 1.00 0.00 C ATOM 703 O GLU A 46 13.131 13.528 -0.459 1.00 0.00 O ATOM 704 CB GLU A 46 11.247 12.412 -2.830 1.00 0.00 C ATOM 705 CG GLU A 46 11.238 11.262 -3.842 1.00 0.00 C ATOM 706 CD GLU A 46 12.593 10.573 -4.031 1.00 0.00 C ATOM 707 OE1 GLU A 46 13.656 11.176 -3.754 1.00 0.00 O ATOM 708 OE2 GLU A 46 12.576 9.403 -4.473 1.00 0.00 O ATOM 0 H GLU A 46 9.522 11.611 -1.420 1.00 0.00 H new ATOM 0 HA GLU A 46 12.421 11.300 -1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.275 12.904 -2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.984 13.153 -3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.508 10.519 -3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.902 11.645 -4.805 1.00 0.00 H new ATOM 715 N GLN A 47 11.007 13.778 0.209 1.00 0.00 N ATOM 716 CA GLN A 47 11.274 14.898 1.109 1.00 0.00 C ATOM 717 C GLN A 47 11.814 14.384 2.457 1.00 0.00 C ATOM 718 O GLN A 47 12.504 15.129 3.159 1.00 0.00 O ATOM 719 CB GLN A 47 9.995 15.720 1.336 1.00 0.00 C ATOM 720 CG GLN A 47 9.641 16.667 0.170 1.00 0.00 C ATOM 721 CD GLN A 47 8.204 17.204 0.238 1.00 0.00 C ATOM 722 OE1 GLN A 47 7.260 16.484 0.559 1.00 0.00 O ATOM 723 NE2 GLN A 47 7.983 18.468 -0.084 1.00 0.00 N ATOM 0 H GLN A 47 10.023 13.510 0.175 1.00 0.00 H new ATOM 0 HA GLN A 47 12.026 15.538 0.648 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.162 15.037 1.502 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.111 16.309 2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.336 17.507 0.170 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.780 16.138 -0.773 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.762 19.070 -0.351 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.034 18.841 -0.065 1.00 0.00 H new ATOM 732 N SER A 48 11.514 13.135 2.832 1.00 0.00 N ATOM 733 CA SER A 48 11.954 12.526 4.082 1.00 0.00 C ATOM 734 C SER A 48 12.189 11.031 3.891 1.00 0.00 C ATOM 735 O SER A 48 13.331 10.576 3.959 1.00 0.00 O ATOM 736 CB SER A 48 10.922 12.798 5.194 1.00 0.00 C ATOM 737 OG SER A 48 11.320 12.255 6.448 1.00 0.00 O ATOM 0 H SER A 48 10.946 12.510 2.259 1.00 0.00 H new ATOM 0 HA SER A 48 12.901 12.973 4.384 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.777 13.873 5.296 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.961 12.373 4.906 1.00 0.00 H new ATOM 0 HG SER A 48 10.637 12.453 7.122 1.00 0.00 H new ATOM 743 N GLY A 49 11.127 10.257 3.674 1.00 0.00 N ATOM 744 CA GLY A 49 11.215 8.818 3.508 1.00 0.00 C ATOM 745 C GLY A 49 10.164 8.121 4.348 1.00 0.00 C ATOM 746 O GLY A 49 9.169 8.726 4.759 1.00 0.00 O ATOM 0 H GLY A 49 10.176 10.620 3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.081 8.558 2.458 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.208 8.473 3.797 1.00 0.00 H new ATOM 750 N LEU A 50 10.384 6.824 4.537 1.00 0.00 N ATOM 751 CA LEU A 50 9.539 5.907 5.276 1.00 0.00 C ATOM 752 C LEU A 50 9.534 6.264 6.779 1.00 0.00 C ATOM 753 O LEU A 50 10.589 6.137 7.409 1.00 0.00 O ATOM 754 CB LEU A 50 10.112 4.490 5.027 1.00 0.00 C ATOM 755 CG LEU A 50 9.075 3.388 4.804 1.00 0.00 C ATOM 756 CD1 LEU A 50 8.137 3.212 5.990 1.00 0.00 C ATOM 757 CD2 LEU A 50 8.270 3.640 3.527 1.00 0.00 C ATOM 0 H LEU A 50 11.208 6.362 4.153 1.00 0.00 H new ATOM 0 HA LEU A 50 8.502 5.963 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.766 4.530 4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.732 4.213 5.880 1.00 0.00 H new ATOM 0 HG LEU A 50 9.635 2.459 4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.423 2.417 5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.716 2.950 6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.600 4.143 6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.540 2.841 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.752 4.596 3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.944 3.663 2.671 1.00 0.00 H new ATOM 769 N PRO A 51 8.422 6.718 7.390 1.00 0.00 N ATOM 770 CA PRO A 51 8.387 7.051 8.813 1.00 0.00 C ATOM 771 C PRO A 51 8.422 5.802 9.701 1.00 0.00 C ATOM 772 O PRO A 51 7.915 4.741 9.327 1.00 0.00 O ATOM 773 CB PRO A 51 7.057 7.772 9.035 1.00 0.00 C ATOM 774 CG PRO A 51 6.156 7.237 7.926 1.00 0.00 C ATOM 775 CD PRO A 51 7.120 6.939 6.783 1.00 0.00 C ATOM 0 HA PRO A 51 9.256 7.654 9.076 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.646 7.557 10.021 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.173 8.854 8.967 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.622 6.341 8.242 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.404 7.970 7.634 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.799 6.061 6.223 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.156 7.770 6.079 1.00 0.00 H new ATOM 783 N ALA A 52 8.875 5.967 10.953 1.00 0.00 N ATOM 784 CA ALA A 52 8.968 4.884 11.930 1.00 0.00 C ATOM 785 C ALA A 52 7.637 4.150 12.125 1.00 0.00 C ATOM 786 O ALA A 52 7.622 2.924 12.255 1.00 0.00 O ATOM 787 CB ALA A 52 9.498 5.380 13.274 1.00 0.00 C ATOM 0 H ALA A 52 9.189 6.868 11.314 1.00 0.00 H new ATOM 0 HA ALA A 52 9.681 4.170 11.518 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.553 4.546 13.974 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.492 5.806 13.138 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.828 6.143 13.670 1.00 0.00 H new ATOM 793 N LYS A 53 6.509 4.871 12.099 1.00 0.00 N ATOM 794 CA LYS A 53 5.187 4.261 12.262 1.00 0.00 C ATOM 795 C LYS A 53 4.905 3.163 11.239 1.00 0.00 C ATOM 796 O LYS A 53 4.030 2.340 11.496 1.00 0.00 O ATOM 797 CB LYS A 53 4.070 5.316 12.297 1.00 0.00 C ATOM 798 CG LYS A 53 3.932 6.208 11.054 1.00 0.00 C ATOM 799 CD LYS A 53 3.646 7.649 11.494 1.00 0.00 C ATOM 800 CE LYS A 53 3.151 8.564 10.377 1.00 0.00 C ATOM 801 NZ LYS A 53 1.763 8.240 10.018 1.00 0.00 N ATOM 0 H LYS A 53 6.488 5.882 11.966 1.00 0.00 H new ATOM 0 HA LYS A 53 5.199 3.769 13.235 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.121 4.804 12.456 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.234 5.959 13.162 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.847 6.171 10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.126 5.843 10.418 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.901 7.632 12.290 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.556 8.074 11.918 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.216 9.604 10.696 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.793 8.458 9.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.654 8.278 8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.531 7.284 10.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.120 8.928 10.460 1.00 0.00 H new ATOM 815 N LEU A 54 5.620 3.120 10.106 1.00 0.00 N ATOM 816 CA LEU A 54 5.410 2.090 9.104 1.00 0.00 C ATOM 817 C LEU A 54 6.767 1.529 8.660 1.00 0.00 C ATOM 818 O LEU A 54 6.856 0.909 7.607 1.00 0.00 O ATOM 819 CB LEU A 54 4.703 2.733 7.876 1.00 0.00 C ATOM 820 CG LEU A 54 3.771 3.950 8.093 1.00 0.00 C ATOM 821 CD1 LEU A 54 3.614 4.791 6.826 1.00 0.00 C ATOM 822 CD2 LEU A 54 2.402 3.547 8.639 1.00 0.00 C ATOM 0 H LEU A 54 6.349 3.793 9.869 1.00 0.00 H new ATOM 0 HA LEU A 54 4.800 1.287 9.517 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.478 3.035 7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.117 1.953 7.390 1.00 0.00 H new ATOM 0 HG LEU A 54 4.260 4.566 8.847 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.952 5.633 7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.589 5.164 6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.189 4.177 6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.787 4.437 8.773 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.914 2.872 7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.526 3.044 9.598 1.00 0.00 H new ATOM 834 N ARG A 55 7.744 1.451 9.570 1.00 0.00 N ATOM 835 CA ARG A 55 9.102 0.944 9.286 1.00 0.00 C ATOM 836 C ARG A 55 9.253 -0.563 9.484 1.00 0.00 C ATOM 837 O ARG A 55 10.377 -1.061 9.572 1.00 0.00 O ATOM 838 CB ARG A 55 10.113 1.703 10.160 1.00 0.00 C ATOM 839 CG ARG A 55 10.059 1.272 11.640 1.00 0.00 C ATOM 840 CD ARG A 55 11.328 0.547 12.100 1.00 0.00 C ATOM 841 NE ARG A 55 11.034 -0.497 13.085 1.00 0.00 N ATOM 842 CZ ARG A 55 10.804 -0.353 14.392 1.00 0.00 C ATOM 843 NH1 ARG A 55 10.704 0.855 14.945 1.00 0.00 N ATOM 844 NH2 ARG A 55 10.688 -1.440 15.136 1.00 0.00 N ATOM 0 H ARG A 55 7.618 1.741 10.540 1.00 0.00 H new ATOM 0 HA ARG A 55 9.295 1.122 8.228 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.119 1.537 9.774 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.917 2.773 10.090 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.904 2.153 12.264 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.199 0.619 11.791 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.825 0.103 11.238 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.022 1.268 12.532 1.00 0.00 H new ATOM 0 HE ARG A 55 11.001 -1.452 12.728 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.803 1.690 14.368 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.528 0.945 15.946 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.774 -2.362 14.709 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.512 -1.356 16.137 1.00 0.00 H new ATOM 858 N HIS A 56 8.124 -1.248 9.643 1.00 0.00 N ATOM 859 CA HIS A 56 8.010 -2.678 9.868 1.00 0.00 C ATOM 860 C HIS A 56 8.984 -3.494 9.010 1.00 0.00 C ATOM 861 O HIS A 56 9.379 -3.096 7.915 1.00 0.00 O ATOM 862 CB HIS A 56 6.546 -3.117 9.678 1.00 0.00 C ATOM 863 CG HIS A 56 6.195 -4.318 10.517 1.00 0.00 C ATOM 864 ND1 HIS A 56 5.989 -5.613 10.089 1.00 0.00 N ATOM 865 CD2 HIS A 56 6.066 -4.305 11.878 1.00 0.00 C ATOM 866 CE1 HIS A 56 5.771 -6.365 11.185 1.00 0.00 C ATOM 867 NE2 HIS A 56 5.822 -5.612 12.301 1.00 0.00 N ATOM 0 H HIS A 56 7.214 -0.789 9.616 1.00 0.00 H new ATOM 0 HA HIS A 56 8.301 -2.884 10.898 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.885 -2.290 9.937 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.372 -3.347 8.627 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.140 -3.435 12.514 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.581 -7.428 11.171 1.00 0.00 H new ATOM 0 HE2 HIS A 56 5.706 -5.933 13.262 1.00 0.00 H new ATOM 875 N GLU A 57 9.338 -4.673 9.511 1.00 0.00 N ATOM 876 CA GLU A 57 10.258 -5.620 8.886 1.00 0.00 C ATOM 877 C GLU A 57 9.769 -6.121 7.521 1.00 0.00 C ATOM 878 O GLU A 57 10.560 -6.603 6.704 1.00 0.00 O ATOM 879 CB GLU A 57 10.392 -6.767 9.886 1.00 0.00 C ATOM 880 CG GLU A 57 11.378 -7.850 9.455 1.00 0.00 C ATOM 881 CD GLU A 57 11.581 -8.824 10.602 1.00 0.00 C ATOM 882 OE1 GLU A 57 11.063 -9.960 10.521 1.00 0.00 O ATOM 883 OE2 GLU A 57 12.202 -8.417 11.609 1.00 0.00 O ATOM 0 H GLU A 57 8.976 -5.010 10.403 1.00 0.00 H new ATOM 0 HA GLU A 57 11.215 -5.143 8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.708 -6.363 10.848 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.412 -7.220 10.038 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.999 -8.376 8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.329 -7.400 9.171 1.00 0.00 H new ATOM 890 N GLN A 58 8.463 -6.018 7.283 1.00 0.00 N ATOM 891 CA GLN A 58 7.772 -6.409 6.073 1.00 0.00 C ATOM 892 C GLN A 58 6.732 -5.335 5.804 1.00 0.00 C ATOM 893 O GLN A 58 5.905 -5.047 6.679 1.00 0.00 O ATOM 894 CB GLN A 58 7.124 -7.792 6.242 1.00 0.00 C ATOM 895 CG GLN A 58 8.181 -8.888 6.037 1.00 0.00 C ATOM 896 CD GLN A 58 7.579 -10.276 5.874 1.00 0.00 C ATOM 897 OE1 GLN A 58 6.705 -10.677 6.631 1.00 0.00 O ATOM 898 NE2 GLN A 58 8.030 -11.042 4.894 1.00 0.00 N ATOM 0 H GLN A 58 7.825 -5.633 7.980 1.00 0.00 H new ATOM 0 HA GLN A 58 8.460 -6.493 5.232 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.684 -7.879 7.235 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.314 -7.915 5.523 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.775 -8.651 5.155 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.862 -8.892 6.888 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.759 -10.696 4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.649 -11.979 4.762 1.00 0.00 H new ATOM 907 N ILE A 59 6.826 -4.683 4.646 1.00 0.00 N ATOM 908 CA ILE A 59 5.908 -3.643 4.228 1.00 0.00 C ATOM 909 C ILE A 59 5.494 -3.915 2.772 1.00 0.00 C ATOM 910 O ILE A 59 6.124 -4.690 2.051 1.00 0.00 O ATOM 911 CB ILE A 59 6.396 -2.215 4.581 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.625 -1.327 3.351 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.547 -2.136 5.612 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.173 0.042 3.698 1.00 0.00 C ATOM 0 H ILE A 59 7.560 -4.872 3.964 1.00 0.00 H new ATOM 0 HA ILE A 59 4.988 -3.679 4.811 1.00 0.00 H new ATOM 0 HB ILE A 59 5.547 -1.787 5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.317 -1.827 2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.683 -1.209 2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.809 -1.092 5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.227 -2.590 6.550 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.416 -2.670 5.228 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.312 0.620 2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.471 0.560 4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.130 -0.068 4.208 1.00 0.00 H new ATOM 926 N ILE A 60 4.427 -3.267 2.329 1.00 0.00 N ATOM 927 CA ILE A 60 3.841 -3.377 1.009 1.00 0.00 C ATOM 928 C ILE A 60 3.615 -1.963 0.469 1.00 0.00 C ATOM 929 O ILE A 60 3.480 -0.988 1.210 1.00 0.00 O ATOM 930 CB ILE A 60 2.550 -4.241 1.102 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.910 -5.630 1.683 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.822 -4.369 -0.253 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.860 -6.729 1.522 1.00 0.00 C ATOM 0 H ILE A 60 3.919 -2.611 2.921 1.00 0.00 H new ATOM 0 HA ILE A 60 4.496 -3.886 0.302 1.00 0.00 H new ATOM 0 HB ILE A 60 1.850 -3.737 1.769 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.833 -5.968 1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.120 -5.511 2.746 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.929 -4.982 -0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.536 -3.379 -0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.486 -4.837 -0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.229 -7.653 1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.939 -6.428 2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.663 -6.892 0.462 1.00 0.00 H new ATOM 945 N PHE A 61 3.548 -1.856 -0.847 1.00 0.00 N ATOM 946 CA PHE A 61 3.324 -0.636 -1.597 1.00 0.00 C ATOM 947 C PHE A 61 2.266 -0.922 -2.669 1.00 0.00 C ATOM 948 O PHE A 61 2.115 -2.063 -3.120 1.00 0.00 O ATOM 949 CB PHE A 61 4.662 -0.209 -2.219 1.00 0.00 C ATOM 950 CG PHE A 61 5.565 0.599 -1.309 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.378 1.988 -1.189 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.626 -0.015 -0.622 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.266 2.757 -0.416 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.522 0.758 0.129 1.00 0.00 C ATOM 955 CZ PHE A 61 7.350 2.147 0.230 1.00 0.00 C ATOM 0 H PHE A 61 3.655 -2.668 -1.455 1.00 0.00 H new ATOM 0 HA PHE A 61 2.962 0.174 -0.964 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.199 -1.103 -2.537 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.458 0.376 -3.116 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.550 2.465 -1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.751 -1.086 -0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.112 3.822 -0.320 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.350 0.282 0.633 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.048 2.742 0.801 1.00 0.00 H new ATOM 965 N HIS A 62 1.510 0.097 -3.086 1.00 0.00 N ATOM 966 CA HIS A 62 0.486 -0.017 -4.122 1.00 0.00 C ATOM 967 C HIS A 62 0.378 1.345 -4.819 1.00 0.00 C ATOM 968 O HIS A 62 0.708 2.357 -4.202 1.00 0.00 O ATOM 969 CB HIS A 62 -0.853 -0.487 -3.521 1.00 0.00 C ATOM 970 CG HIS A 62 -1.919 0.578 -3.435 1.00 0.00 C ATOM 971 ND1 HIS A 62 -3.056 0.613 -4.202 1.00 0.00 N ATOM 972 CD2 HIS A 62 -1.918 1.697 -2.649 1.00 0.00 C ATOM 973 CE1 HIS A 62 -3.728 1.734 -3.911 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.072 2.423 -2.974 1.00 0.00 N ATOM 0 H HIS A 62 1.596 1.039 -2.705 1.00 0.00 H new ATOM 0 HA HIS A 62 0.759 -0.773 -4.859 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.233 -1.314 -4.121 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.668 -0.878 -2.520 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -3.341 -0.095 -4.879 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.171 1.969 -1.918 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.660 2.035 -4.366 1.00 0.00 H new ATOM 982 N CYS A 63 -0.044 1.388 -6.090 1.00 0.00 N ATOM 983 CA CYS A 63 -0.196 2.624 -6.856 1.00 0.00 C ATOM 984 C CYS A 63 -0.848 2.327 -8.210 1.00 0.00 C ATOM 985 O CYS A 63 -0.214 1.626 -9.007 1.00 0.00 O ATOM 986 CB CYS A 63 1.175 3.279 -7.101 1.00 0.00 C ATOM 987 SG CYS A 63 0.934 4.942 -7.759 1.00 0.00 S ATOM 0 H CYS A 63 -0.292 0.552 -6.619 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.826 3.303 -6.281 1.00 0.00 H new ATOM 0 HB2 CYS A 63 1.741 3.322 -6.171 1.00 0.00 H new ATOM 0 HB3 CYS A 63 1.757 2.680 -7.801 1.00 0.00 H new ATOM 0 HG CYS A 63 2.090 5.499 -7.965 1.00 0.00 H new ATOM 1073 N THR A 69 3.073 0.469 -9.499 1.00 0.00 N ATOM 1074 CA THR A 69 4.021 0.489 -8.391 1.00 0.00 C ATOM 1075 C THR A 69 5.376 -0.095 -8.821 1.00 0.00 C ATOM 1076 O THR A 69 6.433 0.383 -8.411 1.00 0.00 O ATOM 1077 CB THR A 69 3.436 -0.239 -7.177 1.00 0.00 C ATOM 1078 OG1 THR A 69 2.031 -0.430 -7.296 1.00 0.00 O ATOM 1079 CG2 THR A 69 3.710 0.499 -5.871 1.00 0.00 C ATOM 0 HA THR A 69 4.200 1.523 -8.097 1.00 0.00 H new ATOM 0 HB THR A 69 3.936 -1.207 -7.154 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.734 -0.133 -8.182 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.275 -0.057 -5.041 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.786 0.590 -5.723 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.265 1.493 -5.914 1.00 0.00 H new ATOM 1087 N SER A 70 5.364 -1.106 -9.697 1.00 0.00 N ATOM 1088 CA SER A 70 6.587 -1.731 -10.181 1.00 0.00 C ATOM 1089 C SER A 70 7.379 -0.795 -11.108 1.00 0.00 C ATOM 1090 O SER A 70 8.536 -1.079 -11.411 1.00 0.00 O ATOM 1091 CB SER A 70 6.210 -3.039 -10.888 1.00 0.00 C ATOM 1092 OG SER A 70 7.283 -3.963 -10.968 1.00 0.00 O ATOM 0 H SER A 70 4.510 -1.507 -10.084 1.00 0.00 H new ATOM 0 HA SER A 70 7.244 -1.945 -9.338 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.378 -3.504 -10.358 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.860 -2.812 -11.895 1.00 0.00 H new ATOM 0 HG SER A 70 6.982 -4.775 -11.426 1.00 0.00 H new ATOM 1098 N ASN A 71 6.787 0.308 -11.582 1.00 0.00 N ATOM 1099 CA ASN A 71 7.472 1.240 -12.483 1.00 0.00 C ATOM 1100 C ASN A 71 8.508 2.085 -11.760 1.00 0.00 C ATOM 1101 O ASN A 71 9.445 2.542 -12.409 1.00 0.00 O ATOM 1102 CB ASN A 71 6.507 2.223 -13.172 1.00 0.00 C ATOM 1103 CG ASN A 71 5.779 1.633 -14.367 1.00 0.00 C ATOM 1104 OD1 ASN A 71 4.828 0.869 -14.228 1.00 0.00 O ATOM 1105 ND2 ASN A 71 6.180 2.006 -15.568 1.00 0.00 N ATOM 0 H ASN A 71 5.830 0.577 -11.354 1.00 0.00 H new ATOM 0 HA ASN A 71 7.947 0.597 -13.224 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.772 2.566 -12.444 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.067 3.100 -13.497 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.698 1.659 -16.397 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.972 2.641 -15.667 1.00 0.00 H new ATOM 1112 N ASN A 72 8.359 2.327 -10.452 1.00 0.00 N ATOM 1113 CA ASN A 72 9.295 3.167 -9.694 1.00 0.00 C ATOM 1114 C ASN A 72 9.729 2.521 -8.376 1.00 0.00 C ATOM 1115 O ASN A 72 10.302 3.201 -7.516 1.00 0.00 O ATOM 1116 CB ASN A 72 8.669 4.560 -9.453 1.00 0.00 C ATOM 1117 CG ASN A 72 8.138 5.257 -10.708 1.00 0.00 C ATOM 1118 OD1 ASN A 72 6.973 5.645 -10.775 1.00 0.00 O ATOM 1119 ND2 ASN A 72 8.922 5.403 -11.760 1.00 0.00 N ATOM 0 H ASN A 72 7.594 1.950 -9.893 1.00 0.00 H new ATOM 0 HA ASN A 72 10.200 3.278 -10.291 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.851 4.456 -8.740 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.417 5.202 -8.988 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.559 5.832 -12.611 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.891 5.087 -11.722 1.00 0.00 H new ATOM 1126 N ALA A 73 9.493 1.215 -8.214 1.00 0.00 N ATOM 1127 CA ALA A 73 9.826 0.461 -7.014 1.00 0.00 C ATOM 1128 C ALA A 73 11.307 0.487 -6.608 1.00 0.00 C ATOM 1129 O ALA A 73 11.591 0.241 -5.437 1.00 0.00 O ATOM 1130 CB ALA A 73 9.355 -0.985 -7.193 1.00 0.00 C ATOM 0 H ALA A 73 9.054 0.644 -8.936 1.00 0.00 H new ATOM 0 HA ALA A 73 9.307 0.957 -6.194 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.599 -1.560 -6.300 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.277 -1.000 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.854 -1.426 -8.056 1.00 0.00 H new ATOM 1136 N ASP A 74 12.251 0.806 -7.497 1.00 0.00 N ATOM 1137 CA ASP A 74 13.683 0.822 -7.152 1.00 0.00 C ATOM 1138 C ASP A 74 13.995 1.801 -6.022 1.00 0.00 C ATOM 1139 O ASP A 74 14.635 1.439 -5.032 1.00 0.00 O ATOM 1140 CB ASP A 74 14.561 1.124 -8.377 1.00 0.00 C ATOM 1141 CG ASP A 74 14.983 -0.153 -9.097 1.00 0.00 C ATOM 1142 OD1 ASP A 74 15.523 -1.060 -8.426 1.00 0.00 O ATOM 1143 OD2 ASP A 74 14.760 -0.244 -10.325 1.00 0.00 O ATOM 0 H ASP A 74 12.053 1.058 -8.465 1.00 0.00 H new ATOM 0 HA ASP A 74 13.922 -0.181 -6.799 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.015 1.767 -9.067 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.448 1.674 -8.063 1.00 0.00 H new ATOM 1148 N LYS A 75 13.529 3.047 -6.122 1.00 0.00 N ATOM 1149 CA LYS A 75 13.771 4.036 -5.082 1.00 0.00 C ATOM 1150 C LYS A 75 13.010 3.650 -3.807 1.00 0.00 C ATOM 1151 O LYS A 75 13.521 3.850 -2.707 1.00 0.00 O ATOM 1152 CB LYS A 75 13.382 5.421 -5.619 1.00 0.00 C ATOM 1153 CG LYS A 75 14.336 6.560 -5.245 1.00 0.00 C ATOM 1154 CD LYS A 75 14.621 6.640 -3.751 1.00 0.00 C ATOM 1155 CE LYS A 75 15.328 7.960 -3.434 1.00 0.00 C ATOM 1156 NZ LYS A 75 15.645 8.098 -2.000 1.00 0.00 N ATOM 0 H LYS A 75 12.984 3.390 -6.913 1.00 0.00 H new ATOM 0 HA LYS A 75 14.827 4.070 -4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.317 5.366 -6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.386 5.668 -5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.276 6.428 -5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.909 7.506 -5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.690 6.570 -3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.243 5.799 -3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.248 8.025 -4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.696 8.792 -3.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.123 9.007 -1.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.766 8.064 -1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.270 7.321 -1.706 1.00 0.00 H new ATOM 1170 N LEU A 76 11.797 3.089 -3.942 1.00 0.00 N ATOM 1171 CA LEU A 76 10.979 2.671 -2.797 1.00 0.00 C ATOM 1172 C LEU A 76 11.704 1.586 -1.988 1.00 0.00 C ATOM 1173 O LEU A 76 11.544 1.520 -0.771 1.00 0.00 O ATOM 1174 CB LEU A 76 9.586 2.154 -3.230 1.00 0.00 C ATOM 1175 CG LEU A 76 8.700 3.136 -4.021 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.384 2.466 -4.454 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.381 4.403 -3.217 1.00 0.00 C ATOM 0 H LEU A 76 11.359 2.914 -4.846 1.00 0.00 H new ATOM 0 HA LEU A 76 10.828 3.553 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.728 1.259 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.043 1.850 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 76 9.270 3.424 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.778 3.181 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.604 1.607 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.837 2.135 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.755 5.065 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.853 4.131 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.309 4.915 -2.961 1.00 0.00 H new ATOM 1189 N ALA A 77 12.517 0.760 -2.656 1.00 0.00 N ATOM 1190 CA ALA A 77 13.273 -0.323 -2.049 1.00 0.00 C ATOM 1191 C ALA A 77 14.241 0.229 -1.008 1.00 0.00 C ATOM 1192 O ALA A 77 14.112 -0.088 0.173 1.00 0.00 O ATOM 1193 CB ALA A 77 14.024 -1.121 -3.126 1.00 0.00 C ATOM 0 H ALA A 77 12.666 0.835 -3.662 1.00 0.00 H new ATOM 0 HA ALA A 77 12.579 -0.998 -1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.585 -1.928 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.308 -1.541 -3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.712 -0.461 -3.655 1.00 0.00 H new ATOM 1199 N ALA A 78 15.182 1.072 -1.444 1.00 0.00 N ATOM 1200 CA ALA A 78 16.191 1.679 -0.580 1.00 0.00 C ATOM 1201 C ALA A 78 15.574 2.533 0.523 1.00 0.00 C ATOM 1202 O ALA A 78 16.143 2.664 1.606 1.00 0.00 O ATOM 1203 CB ALA A 78 17.111 2.550 -1.429 1.00 0.00 C ATOM 0 H ALA A 78 15.263 1.354 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 78 16.746 0.872 -0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.868 3.008 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.597 1.935 -2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.526 3.330 -1.916 1.00 0.00 H new ATOM 1209 N ILE A 79 14.417 3.130 0.250 1.00 0.00 N ATOM 1210 CA ILE A 79 13.702 3.966 1.195 1.00 0.00 C ATOM 1211 C ILE A 79 13.229 3.151 2.403 1.00 0.00 C ATOM 1212 O ILE A 79 13.298 3.669 3.516 1.00 0.00 O ATOM 1213 CB ILE A 79 12.549 4.661 0.439 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.086 5.970 -0.169 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.298 4.910 1.288 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.071 6.655 -1.083 1.00 0.00 C ATOM 0 H ILE A 79 13.947 3.042 -0.651 1.00 0.00 H new ATOM 0 HA ILE A 79 14.358 4.733 1.606 1.00 0.00 H new ATOM 0 HB ILE A 79 12.212 3.982 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.364 6.652 0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.993 5.758 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.538 5.401 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.911 3.959 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.554 5.547 2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.503 7.572 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.812 5.987 -1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.173 6.895 -0.514 1.00 0.00 H new ATOM 1228 N ALA A 80 12.760 1.912 2.218 1.00 0.00 N ATOM 1229 CA ALA A 80 12.264 1.093 3.317 1.00 0.00 C ATOM 1230 C ALA A 80 13.225 -0.033 3.734 1.00 0.00 C ATOM 1231 O ALA A 80 12.919 -0.761 4.679 1.00 0.00 O ATOM 1232 CB ALA A 80 10.915 0.540 2.877 1.00 0.00 C ATOM 0 H ALA A 80 12.716 1.456 1.307 1.00 0.00 H new ATOM 0 HA ALA A 80 12.172 1.711 4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.501 -0.083 3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.233 1.365 2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.044 -0.059 1.975 1.00 0.00 H new ATOM 1238 N ALA A 81 14.348 -0.211 3.036 1.00 0.00 N ATOM 1239 CA ALA A 81 15.341 -1.244 3.312 1.00 0.00 C ATOM 1240 C ALA A 81 15.918 -1.123 4.739 1.00 0.00 C ATOM 1241 O ALA A 81 15.903 -0.035 5.322 1.00 0.00 O ATOM 1242 CB ALA A 81 16.458 -1.120 2.265 1.00 0.00 C ATOM 0 H ALA A 81 14.596 0.378 2.241 1.00 0.00 H new ATOM 0 HA ALA A 81 14.866 -2.223 3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.215 -1.882 2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.039 -1.257 1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.913 -0.132 2.334 1.00 0.00 H new ATOM 1248 N PRO A 82 16.467 -2.205 5.325 1.00 0.00 N ATOM 1249 CA PRO A 82 16.595 -3.558 4.784 1.00 0.00 C ATOM 1250 C PRO A 82 15.274 -4.342 4.803 1.00 0.00 C ATOM 1251 O PRO A 82 15.273 -5.523 4.448 1.00 0.00 O ATOM 1252 CB PRO A 82 17.658 -4.237 5.658 1.00 0.00 C ATOM 1253 CG PRO A 82 17.417 -3.592 7.018 1.00 0.00 C ATOM 1254 CD PRO A 82 17.071 -2.155 6.647 1.00 0.00 C ATOM 0 HA PRO A 82 16.877 -3.527 3.731 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.527 -5.319 5.692 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.667 -4.049 5.291 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.605 -4.078 7.559 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.300 -3.645 7.654 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.382 -1.722 7.372 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.964 -1.530 6.642 1.00 0.00 H new ATOM 1262 N ALA A 83 14.159 -3.722 5.218 1.00 0.00 N ATOM 1263 CA ALA A 83 12.878 -4.402 5.253 1.00 0.00 C ATOM 1264 C ALA A 83 12.517 -4.931 3.866 1.00 0.00 C ATOM 1265 O ALA A 83 12.877 -4.372 2.821 1.00 0.00 O ATOM 1266 CB ALA A 83 11.768 -3.500 5.796 1.00 0.00 C ATOM 0 H ALA A 83 14.130 -2.752 5.532 1.00 0.00 H new ATOM 0 HA ALA A 83 12.971 -5.246 5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.826 -4.048 5.805 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.016 -3.188 6.810 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.670 -2.620 5.160 1.00 0.00 H new ATOM 1272 N GLU A 84 11.784 -6.030 3.901 1.00 0.00 N ATOM 1273 CA GLU A 84 11.291 -6.769 2.761 1.00 0.00 C ATOM 1274 C GLU A 84 10.025 -6.073 2.254 1.00 0.00 C ATOM 1275 O GLU A 84 9.003 -6.047 2.942 1.00 0.00 O ATOM 1276 CB GLU A 84 11.067 -8.218 3.205 1.00 0.00 C ATOM 1277 CG GLU A 84 12.389 -8.985 3.382 1.00 0.00 C ATOM 1278 CD GLU A 84 12.982 -9.379 2.035 1.00 0.00 C ATOM 1279 OE1 GLU A 84 12.319 -10.164 1.321 1.00 0.00 O ATOM 1280 OE2 GLU A 84 14.024 -8.814 1.629 1.00 0.00 O ATOM 0 H GLU A 84 11.501 -6.454 4.785 1.00 0.00 H new ATOM 0 HA GLU A 84 11.995 -6.791 1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.516 -8.227 4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.448 -8.730 2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.101 -8.367 3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.217 -9.879 3.982 1.00 0.00 H new ATOM 1287 N ILE A 85 10.113 -5.466 1.067 1.00 0.00 N ATOM 1288 CA ILE A 85 9.032 -4.733 0.414 1.00 0.00 C ATOM 1289 C ILE A 85 8.370 -5.578 -0.666 1.00 0.00 C ATOM 1290 O ILE A 85 9.052 -6.268 -1.429 1.00 0.00 O ATOM 1291 CB ILE A 85 9.592 -3.392 -0.125 1.00 0.00 C ATOM 1292 CG1 ILE A 85 9.450 -2.280 0.927 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.882 -2.872 -1.388 1.00 0.00 C ATOM 1294 CD1 ILE A 85 9.791 -2.647 2.380 1.00 0.00 C ATOM 0 H ILE A 85 10.972 -5.474 0.517 1.00 0.00 H new ATOM 0 HA ILE A 85 8.245 -4.507 1.134 1.00 0.00 H new ATOM 0 HB ILE A 85 10.632 -3.615 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.088 -1.448 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.422 -1.918 0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.335 -1.930 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.982 -3.604 -2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.826 -2.713 -1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.649 -1.775 3.018 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.137 -3.452 2.715 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.829 -2.975 2.439 1.00 0.00 H new ATOM 1306 N PHE A 86 7.047 -5.430 -0.782 1.00 0.00 N ATOM 1307 CA PHE A 86 6.219 -6.132 -1.749 1.00 0.00 C ATOM 1308 C PHE A 86 5.178 -5.223 -2.395 1.00 0.00 C ATOM 1309 O PHE A 86 5.049 -4.059 -2.014 1.00 0.00 O ATOM 1310 CB PHE A 86 5.583 -7.347 -1.064 1.00 0.00 C ATOM 1311 CG PHE A 86 6.548 -8.194 -0.260 1.00 0.00 C ATOM 1312 CD1 PHE A 86 6.580 -8.134 1.146 1.00 0.00 C ATOM 1313 CD2 PHE A 86 7.454 -9.018 -0.940 1.00 0.00 C ATOM 1314 CE1 PHE A 86 7.475 -8.950 1.858 1.00 0.00 C ATOM 1315 CE2 PHE A 86 8.361 -9.821 -0.232 1.00 0.00 C ATOM 1316 CZ PHE A 86 8.353 -9.808 1.172 1.00 0.00 C ATOM 0 H PHE A 86 6.513 -4.798 -0.185 1.00 0.00 H new ATOM 0 HA PHE A 86 6.849 -6.473 -2.571 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.787 -7.001 -0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.117 -7.973 -1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.919 -7.463 1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.454 -9.035 -2.020 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.489 -8.918 2.937 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.062 -10.446 -0.765 1.00 0.00 H new ATOM 0 HZ PHE A 86 9.019 -10.455 1.723 1.00 0.00 H new ATOM 1326 N LEU A 87 4.447 -5.747 -3.385 1.00 0.00 N ATOM 1327 CA LEU A 87 3.418 -5.036 -4.140 1.00 0.00 C ATOM 1328 C LEU A 87 2.110 -5.819 -4.062 1.00 0.00 C ATOM 1329 O LEU A 87 2.098 -6.992 -4.422 1.00 0.00 O ATOM 1330 CB LEU A 87 3.845 -4.855 -5.607 1.00 0.00 C ATOM 1331 CG LEU A 87 5.136 -4.055 -5.866 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.340 -3.885 -7.376 1.00 0.00 C ATOM 1333 CD2 LEU A 87 5.082 -2.669 -5.222 1.00 0.00 C ATOM 0 H LEU A 87 4.563 -6.713 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 87 3.278 -4.046 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.965 -5.844 -6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.030 -4.364 -6.139 1.00 0.00 H new ATOM 0 HG LEU A 87 5.963 -4.611 -5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.253 -3.319 -7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.421 -4.866 -7.845 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.491 -3.349 -7.800 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.010 -2.136 -5.427 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.243 -2.109 -5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.954 -2.773 -4.145 1.00 0.00 H new ATOM 1345 N LEU A 88 1.029 -5.156 -3.639 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.331 -5.712 -3.455 1.00 0.00 C ATOM 1347 C LEU A 88 -1.046 -6.169 -4.742 1.00 0.00 C ATOM 1348 O LEU A 88 -2.025 -6.908 -4.681 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.188 -4.674 -2.700 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.549 -5.235 -2.215 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -2.792 -4.911 -0.739 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -3.719 -4.657 -3.028 1.00 0.00 C ATOM 0 H LEU A 88 1.073 -4.165 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.208 -6.630 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.627 -4.307 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.367 -3.819 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.502 -6.315 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.755 -5.318 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.000 -5.353 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.794 -3.830 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.657 -5.072 -2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.736 -3.572 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.595 -4.916 -4.079 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.559 -5.722 -5.897 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.048 -6.017 -7.242 1.00 0.00 C ATOM 1366 C GLU A 89 -2.338 -5.313 -7.652 1.00 0.00 C ATOM 1367 O GLU A 89 -3.170 -4.922 -6.833 1.00 0.00 O ATOM 1368 CB GLU A 89 -1.164 -7.531 -7.490 1.00 0.00 C ATOM 1369 CG GLU A 89 -0.867 -7.856 -8.963 1.00 0.00 C ATOM 1370 CD GLU A 89 -0.166 -9.198 -9.099 1.00 0.00 C ATOM 1371 OE1 GLU A 89 0.935 -9.348 -8.527 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -0.685 -10.073 -9.820 1.00 0.00 O ATOM 0 H GLU A 89 0.247 -5.098 -5.919 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.277 -5.595 -7.887 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.467 -8.066 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.166 -7.873 -7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.798 -7.870 -9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.244 -7.072 -9.393 1.00 0.00 H new ATOM 1379 N ASP A 90 -2.482 -5.168 -8.977 1.00 0.00 N ATOM 1380 CA ASP A 90 -3.601 -4.546 -9.685 1.00 0.00 C ATOM 1381 C ASP A 90 -4.021 -3.219 -9.020 1.00 0.00 C ATOM 1382 O ASP A 90 -5.179 -2.798 -9.069 1.00 0.00 O ATOM 1383 CB ASP A 90 -4.745 -5.561 -9.862 1.00 0.00 C ATOM 1384 CG ASP A 90 -4.453 -6.692 -10.851 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -4.289 -7.863 -10.434 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -4.478 -6.434 -12.075 1.00 0.00 O ATOM 0 H ASP A 90 -1.769 -5.507 -9.623 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.286 -4.264 -10.690 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.978 -5.998 -8.891 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.636 -5.028 -10.194 1.00 0.00 H new ATOM 1391 N GLY A 91 -3.062 -2.499 -8.424 1.00 0.00 N ATOM 1392 CA GLY A 91 -3.304 -1.247 -7.733 1.00 0.00 C ATOM 1393 C GLY A 91 -4.127 -1.514 -6.486 1.00 0.00 C ATOM 1394 O GLY A 91 -3.566 -1.794 -5.433 1.00 0.00 O ATOM 0 H GLY A 91 -2.083 -2.784 -8.414 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.358 -0.778 -7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.830 -0.552 -8.388 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.446 -1.344 -6.577 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.391 -1.568 -5.483 1.00 0.00 C ATOM 1400 C ILE A 92 -7.433 -2.620 -5.888 1.00 0.00 C ATOM 1401 O ILE A 92 -8.207 -3.096 -5.052 1.00 0.00 O ATOM 1402 CB ILE A 92 -6.964 -0.225 -4.987 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.699 -0.422 -3.648 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -7.853 0.468 -6.032 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -7.882 0.881 -2.874 1.00 0.00 C ATOM 0 H ILE A 92 -5.899 -1.038 -7.438 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.884 -1.993 -4.617 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.123 0.449 -4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -8.676 -0.867 -3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.141 -1.129 -3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.227 1.408 -5.626 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.270 0.668 -6.931 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.694 -0.180 -6.281 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.406 0.679 -1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.906 1.315 -2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.465 1.581 -3.473 1.00 0.00 H new ATOM 1417 N ASP A 93 -7.458 -3.006 -7.171 1.00 0.00 N ATOM 1418 CA ASP A 93 -8.370 -4.025 -7.681 1.00 0.00 C ATOM 1419 C ASP A 93 -8.051 -5.333 -6.942 1.00 0.00 C ATOM 1420 O ASP A 93 -8.952 -6.137 -6.726 1.00 0.00 O ATOM 1421 CB ASP A 93 -8.238 -4.127 -9.207 1.00 0.00 C ATOM 1422 CG ASP A 93 -8.874 -5.378 -9.820 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -10.114 -5.541 -9.716 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -8.145 -6.182 -10.448 1.00 0.00 O ATOM 0 H ASP A 93 -6.841 -2.615 -7.883 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.415 -3.775 -7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.694 -3.246 -9.658 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.180 -4.108 -9.469 1.00 0.00 H new ATOM 1429 N GLY A 94 -6.808 -5.499 -6.460 1.00 0.00 N ATOM 1430 CA GLY A 94 -6.342 -6.649 -5.703 1.00 0.00 C ATOM 1431 C GLY A 94 -7.088 -6.732 -4.369 1.00 0.00 C ATOM 1432 O GLY A 94 -7.639 -7.775 -4.026 1.00 0.00 O ATOM 0 H GLY A 94 -6.078 -4.800 -6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.502 -7.562 -6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.270 -6.568 -5.525 1.00 0.00 H new ATOM 1436 N TRP A 95 -7.165 -5.645 -3.593 1.00 0.00 N ATOM 1437 CA TRP A 95 -7.887 -5.681 -2.317 1.00 0.00 C ATOM 1438 C TRP A 95 -9.334 -6.136 -2.591 1.00 0.00 C ATOM 1439 O TRP A 95 -9.839 -7.098 -2.006 1.00 0.00 O ATOM 1440 CB TRP A 95 -7.894 -4.311 -1.649 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.764 -4.250 -0.429 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.741 -3.344 -0.224 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -8.767 -5.103 0.762 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -10.260 -3.507 1.043 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -9.671 -4.547 1.711 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -8.043 -6.240 1.178 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -9.826 -5.050 3.009 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -8.156 -6.732 2.489 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -9.056 -6.153 3.400 1.00 0.00 C ATOM 0 H TRP A 95 -6.744 -4.744 -3.821 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.388 -6.376 -1.642 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.874 -4.044 -1.373 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.235 -3.566 -2.368 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.067 -2.605 -0.941 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -10.997 -2.921 1.437 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -7.391 -6.740 0.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.526 -4.596 3.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -7.544 -7.565 2.801 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -9.154 -6.557 4.397 1.00 0.00 H new ATOM 1460 N LYS A 96 -9.982 -5.455 -3.545 1.00 0.00 N ATOM 1461 CA LYS A 96 -11.356 -5.705 -3.973 1.00 0.00 C ATOM 1462 C LYS A 96 -11.543 -7.098 -4.601 1.00 0.00 C ATOM 1463 O LYS A 96 -12.667 -7.603 -4.603 1.00 0.00 O ATOM 1464 CB LYS A 96 -11.759 -4.574 -4.941 1.00 0.00 C ATOM 1465 CG LYS A 96 -13.279 -4.478 -5.135 1.00 0.00 C ATOM 1466 CD LYS A 96 -13.655 -3.345 -6.096 1.00 0.00 C ATOM 1467 CE LYS A 96 -15.182 -3.206 -6.131 1.00 0.00 C ATOM 1468 NZ LYS A 96 -15.642 -2.270 -7.175 1.00 0.00 N ATOM 0 H LYS A 96 -9.544 -4.688 -4.056 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.011 -5.705 -3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.384 -3.624 -4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.283 -4.741 -5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.657 -5.424 -5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.760 -4.313 -4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.199 -2.409 -5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.273 -3.556 -7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.629 -4.185 -6.304 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.534 -2.862 -5.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.680 -2.212 -7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.240 -1.328 -6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.331 -2.610 -8.107 1.00 0.00 H new ATOM 1482 N LYS A 97 -10.474 -7.752 -5.067 1.00 0.00 N ATOM 1483 CA LYS A 97 -10.489 -9.077 -5.694 1.00 0.00 C ATOM 1484 C LYS A 97 -11.025 -10.129 -4.734 1.00 0.00 C ATOM 1485 O LYS A 97 -11.660 -11.081 -5.178 1.00 0.00 O ATOM 1486 CB LYS A 97 -9.059 -9.461 -6.125 1.00 0.00 C ATOM 1487 CG LYS A 97 -8.948 -10.107 -7.502 1.00 0.00 C ATOM 1488 CD LYS A 97 -9.076 -9.067 -8.618 1.00 0.00 C ATOM 1489 CE LYS A 97 -8.670 -9.714 -9.937 1.00 0.00 C ATOM 1490 NZ LYS A 97 -8.754 -8.761 -11.055 1.00 0.00 N ATOM 0 H LYS A 97 -9.536 -7.356 -5.015 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.143 -9.036 -6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.439 -8.564 -6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.645 -10.146 -5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.990 -10.620 -7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.726 -10.862 -7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.101 -8.700 -8.677 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.441 -8.207 -8.408 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.652 -10.095 -9.858 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.315 -10.569 -10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.887 -8.818 -11.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.575 -8.994 -11.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.860 -7.796 -10.682 1.00 0.00 H new ATOM 1504 N ALA A 98 -10.759 -9.938 -3.441 1.00 0.00 N ATOM 1505 CA ALA A 98 -11.177 -10.803 -2.351 1.00 0.00 C ATOM 1506 C ALA A 98 -12.554 -10.377 -1.805 1.00 0.00 C ATOM 1507 O ALA A 98 -12.986 -10.867 -0.763 1.00 0.00 O ATOM 1508 CB ALA A 98 -10.072 -10.775 -1.288 1.00 0.00 C ATOM 0 H ALA A 98 -10.220 -9.135 -3.116 1.00 0.00 H new ATOM 0 HA ALA A 98 -11.309 -11.829 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.354 -11.416 -0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.140 -11.135 -1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.936 -9.754 -0.932 1.00 0.00 H new ATOM 1514 N GLY A 99 -13.247 -9.440 -2.464 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.563 -8.959 -2.064 1.00 0.00 C ATOM 1516 C GLY A 99 -14.576 -8.163 -0.760 1.00 0.00 C ATOM 1517 O GLY A 99 -15.600 -8.161 -0.081 1.00 0.00 O ATOM 0 H GLY A 99 -12.895 -8.989 -3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.965 -8.334 -2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.232 -9.813 -1.961 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.478 -7.495 -0.383 1.00 0.00 N ATOM 1522 CA LEU A 100 -13.405 -6.714 0.856 1.00 0.00 C ATOM 1523 C LEU A 100 -13.509 -5.203 0.588 1.00 0.00 C ATOM 1524 O LEU A 100 -12.989 -4.737 -0.433 1.00 0.00 O ATOM 1525 CB LEU A 100 -12.074 -6.983 1.565 1.00 0.00 C ATOM 1526 CG LEU A 100 -11.944 -8.391 2.181 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -10.577 -9.003 1.869 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -12.109 -8.330 3.703 1.00 0.00 C ATOM 0 H LEU A 100 -12.616 -7.482 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 100 -14.246 -7.021 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.262 -6.837 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.942 -6.243 2.354 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.729 -9.009 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.512 -9.995 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.452 -9.082 0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.792 -8.368 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.014 -9.333 4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.338 -7.686 4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.092 -7.927 3.947 1.00 0.00 H new ATOM 1540 N PRO A 101 -14.133 -4.420 1.489 1.00 0.00 N ATOM 1541 CA PRO A 101 -14.279 -2.973 1.376 1.00 0.00 C ATOM 1542 C PRO A 101 -13.042 -2.264 1.949 1.00 0.00 C ATOM 1543 O PRO A 101 -12.368 -2.779 2.838 1.00 0.00 O ATOM 1544 CB PRO A 101 -15.492 -2.643 2.256 1.00 0.00 C ATOM 1545 CG PRO A 101 -15.368 -3.651 3.397 1.00 0.00 C ATOM 1546 CD PRO A 101 -14.785 -4.886 2.706 1.00 0.00 C ATOM 0 HA PRO A 101 -14.395 -2.654 0.340 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.461 -1.616 2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.430 -2.761 1.713 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.714 -3.285 4.189 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -16.334 -3.863 3.854 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.072 -5.392 3.357 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.570 -5.605 2.473 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.674 -1.099 1.419 1.00 0.00 N ATOM 1555 CA VAL A 102 -11.538 -0.315 1.920 1.00 0.00 C ATOM 1556 C VAL A 102 -11.997 0.459 3.168 1.00 0.00 C ATOM 1557 O VAL A 102 -13.147 0.325 3.591 1.00 0.00 O ATOM 1558 CB VAL A 102 -11.054 0.666 0.837 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -10.523 -0.033 -0.411 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -12.137 1.656 0.421 1.00 0.00 C ATOM 0 H VAL A 102 -13.154 -0.668 0.629 1.00 0.00 H new ATOM 0 HA VAL A 102 -10.711 -0.977 2.175 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.233 1.208 1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.198 0.714 -1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.679 -0.668 -0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.312 -0.644 -0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -11.744 2.325 -0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -12.994 1.112 0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.449 2.240 1.287 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.133 1.293 3.757 1.00 0.00 N ATOM 1571 CA ALA A 103 -11.485 2.103 4.916 1.00 0.00 C ATOM 1572 C ALA A 103 -12.204 3.362 4.420 1.00 0.00 C ATOM 1573 O ALA A 103 -11.629 4.453 4.360 1.00 0.00 O ATOM 1574 CB ALA A 103 -10.246 2.458 5.733 1.00 0.00 C ATOM 0 H ALA A 103 -10.172 1.421 3.440 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.145 1.540 5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.537 3.063 6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.764 1.544 6.080 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.550 3.022 5.112 1.00 0.00 H new ATOM 1580 N VAL A 104 -13.446 3.188 3.989 1.00 0.00 N ATOM 1581 CA VAL A 104 -14.298 4.256 3.488 1.00 0.00 C ATOM 1582 C VAL A 104 -14.868 5.013 4.699 1.00 0.00 C ATOM 1583 O VAL A 104 -14.942 4.461 5.801 1.00 0.00 O ATOM 1584 CB VAL A 104 -15.454 3.668 2.631 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -15.142 3.682 1.131 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -15.829 2.221 2.987 1.00 0.00 C ATOM 0 H VAL A 104 -13.900 2.275 3.978 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.722 4.931 2.856 1.00 0.00 H new ATOM 0 HB VAL A 104 -16.290 4.327 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.983 3.260 0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.972 4.708 0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.249 3.088 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -16.643 1.887 2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.963 1.575 2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -16.147 2.173 4.028 1.00 0.00 H new ATOM 1596 N ASN A 105 -15.324 6.253 4.497 1.00 0.00 N ATOM 1597 CA ASN A 105 -15.899 7.097 5.550 1.00 0.00 C ATOM 1598 C ASN A 105 -17.318 7.551 5.210 1.00 0.00 C ATOM 1599 O ASN A 105 -17.947 8.218 6.028 1.00 0.00 O ATOM 1600 CB ASN A 105 -15.033 8.349 5.799 1.00 0.00 C ATOM 1601 CG ASN A 105 -13.594 8.041 6.169 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -12.688 8.158 5.348 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -13.353 7.651 7.407 1.00 0.00 N ATOM 0 H ASN A 105 -15.304 6.706 3.583 1.00 0.00 H new ATOM 0 HA ASN A 105 -15.928 6.481 6.449 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -15.042 8.969 4.902 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -15.485 8.938 6.598 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -12.399 7.440 7.699 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -14.121 7.561 8.072 1.00 0.00 H new