USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 501 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 4 THR OG1 : rot -116:sc= 0.173 USER MOD Single : A 5 GLN :FLIP amide:sc= -2.08! C(o=-3.5!,f=-2.1!) USER MOD Single : A 20 THR OG1 : rot -29:sc= -2.22 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 171:sc= 0.00101 USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= -3.72! (180deg=-4.49!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00403 USER MOD Single : A 43 SER OG : rot 117:sc= -6.69! USER MOD Single : A 44 MET CE :methyl 142:sc= -2.04 (180deg=-5.23!) USER MOD Single : A 50 GLN :FLIP amide:sc= -2.31 F(o=-4.3!,f=-2.3) USER MOD Single : A 51 THR OG1 : rot 140:sc= -0.917 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 30:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.201 K(o=-0.2,f=-1.4) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 -9.795 2.046 -8.446 1.00 0.00 N ATOM 44 CA THR A 4 -10.431 2.256 -7.157 1.00 0.00 C ATOM 45 C THR A 4 -9.631 1.567 -6.050 1.00 0.00 C ATOM 46 O THR A 4 -8.534 1.065 -6.291 1.00 0.00 O ATOM 47 CB THR A 4 -11.877 1.767 -7.257 1.00 0.00 C ATOM 48 OG1 THR A 4 -12.480 2.216 -6.047 1.00 0.00 O ATOM 49 CG2 THR A 4 -11.985 0.242 -7.184 1.00 0.00 C ATOM 0 HA THR A 4 -10.449 3.313 -6.892 1.00 0.00 H new ATOM 0 HB THR A 4 -12.315 2.118 -8.191 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.757 1.442 -5.513 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.032 -0.053 -7.260 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.423 -0.202 -8.005 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.578 -0.107 -6.235 1.00 0.00 H new ATOM 57 N GLN A 5 -10.211 1.564 -4.858 1.00 0.00 N ATOM 58 CA GLN A 5 -9.567 0.945 -3.713 1.00 0.00 C ATOM 59 C GLN A 5 -9.382 -0.555 -3.955 1.00 0.00 C ATOM 60 O GLN A 5 -8.255 -1.045 -4.005 1.00 0.00 O ATOM 61 CB GLN A 5 -10.363 1.200 -2.432 1.00 0.00 C ATOM 62 CG GLN A 5 -9.699 0.523 -1.231 1.00 0.00 C ATOM 63 CD GLN A 5 -8.653 1.439 -0.593 1.00 0.00 C ATOM 64 OE1 GLN A 5 -7.524 1.538 -1.290 1.00 0.00 O flip ATOM 65 NE2 GLN A 5 -8.857 2.018 0.461 1.00 0.00 N flip ATOM 0 H GLN A 5 -11.121 1.981 -4.661 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.583 1.397 -3.586 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.438 2.273 -2.254 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.379 0.824 -2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.457 0.261 -0.492 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.228 -0.407 -1.548 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.747 1.898 0.945 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.138 2.622 0.858 1.00 0.00 H new ATOM 72 N GLU A 6 -10.506 -1.241 -4.098 1.00 0.00 N ATOM 73 CA GLU A 6 -10.482 -2.675 -4.334 1.00 0.00 C ATOM 74 C GLU A 6 -9.560 -3.005 -5.509 1.00 0.00 C ATOM 75 O GLU A 6 -9.136 -4.148 -5.668 1.00 0.00 O ATOM 76 CB GLU A 6 -11.894 -3.214 -4.576 1.00 0.00 C ATOM 77 CG GLU A 6 -12.410 -3.970 -3.350 1.00 0.00 C ATOM 78 CD GLU A 6 -13.865 -3.604 -3.053 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.745 -4.477 -3.093 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.069 -2.361 -2.772 1.00 0.00 O ATOM 0 H GLU A 6 -11.439 -0.831 -4.055 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.090 -3.164 -3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.567 -2.389 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.891 -3.877 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.329 -5.044 -3.520 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.789 -3.736 -2.486 1.00 0.00 H new ATOM 86 N GLU A 7 -9.277 -1.982 -6.303 1.00 0.00 N ATOM 87 CA GLU A 7 -8.413 -2.149 -7.459 1.00 0.00 C ATOM 88 C GLU A 7 -6.950 -2.237 -7.019 1.00 0.00 C ATOM 89 O GLU A 7 -6.217 -3.121 -7.462 1.00 0.00 O ATOM 90 CB GLU A 7 -8.616 -1.014 -8.464 1.00 0.00 C ATOM 91 CG GLU A 7 -9.377 -1.503 -9.697 1.00 0.00 C ATOM 92 CD GLU A 7 -8.417 -1.813 -10.847 1.00 0.00 C ATOM 93 OE1 GLU A 7 -7.212 -1.996 -10.617 1.00 0.00 O ATOM 94 OE2 GLU A 7 -8.963 -1.863 -12.015 1.00 0.00 O ATOM 0 H GLU A 7 -9.631 -1.035 -6.168 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.680 -3.082 -7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.166 -0.200 -7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.648 -0.613 -8.765 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.949 -2.396 -9.445 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.093 -0.744 -10.011 1.00 0.00 H new ATOM 100 N ILE A 8 -6.568 -1.309 -6.154 1.00 0.00 N ATOM 101 CA ILE A 8 -5.206 -1.271 -5.650 1.00 0.00 C ATOM 102 C ILE A 8 -5.105 -2.146 -4.399 1.00 0.00 C ATOM 103 O ILE A 8 -4.021 -2.318 -3.843 1.00 0.00 O ATOM 104 CB ILE A 8 -4.757 0.174 -5.428 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.275 1.087 -6.541 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.236 0.260 -5.279 1.00 0.00 C ATOM 107 CD1 ILE A 8 -5.111 2.560 -6.164 1.00 0.00 C ATOM 0 H ILE A 8 -7.178 -0.578 -5.789 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.516 -1.685 -6.385 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.193 0.526 -4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.734 0.882 -7.465 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.326 0.872 -6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.944 1.298 -5.122 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.920 -0.339 -4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.760 -0.118 -6.184 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.487 3.187 -6.973 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.673 2.767 -5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.056 2.778 -5.997 1.00 0.00 H new ATOM 118 N ILE A 9 -6.249 -2.674 -3.991 1.00 0.00 N ATOM 119 CA ILE A 9 -6.303 -3.526 -2.815 1.00 0.00 C ATOM 120 C ILE A 9 -6.468 -4.983 -3.254 1.00 0.00 C ATOM 121 O ILE A 9 -5.828 -5.877 -2.702 1.00 0.00 O ATOM 122 CB ILE A 9 -7.394 -3.046 -1.855 1.00 0.00 C ATOM 123 CG1 ILE A 9 -7.066 -1.657 -1.304 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.628 -4.065 -0.739 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.717 -1.442 0.064 1.00 0.00 C ATOM 0 H ILE A 9 -7.146 -2.528 -4.454 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.369 -3.464 -2.256 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.327 -2.959 -2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.985 -1.542 -1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.414 -0.894 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.408 -3.700 -0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.938 -5.015 -1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.705 -4.207 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.468 -0.447 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.799 -1.534 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.348 -2.192 0.764 1.00 0.00 H new ATOM 136 N ALA A 10 -7.329 -5.176 -4.242 1.00 0.00 N ATOM 137 CA ALA A 10 -7.585 -6.509 -4.761 1.00 0.00 C ATOM 138 C ALA A 10 -6.668 -6.772 -5.957 1.00 0.00 C ATOM 139 O ALA A 10 -6.157 -7.878 -6.121 1.00 0.00 O ATOM 140 CB ALA A 10 -9.066 -6.640 -5.122 1.00 0.00 C ATOM 0 H ALA A 10 -7.858 -4.432 -4.697 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.365 -7.263 -4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.259 -7.640 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.673 -6.474 -4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.323 -5.900 -5.880 1.00 0.00 H new ATOM 146 N GLY A 11 -6.487 -5.735 -6.762 1.00 0.00 N ATOM 147 CA GLY A 11 -5.641 -5.839 -7.938 1.00 0.00 C ATOM 148 C GLY A 11 -4.181 -6.071 -7.544 1.00 0.00 C ATOM 149 O GLY A 11 -3.487 -6.876 -8.164 1.00 0.00 O ATOM 0 H GLY A 11 -6.912 -4.818 -6.622 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.986 -6.659 -8.567 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.721 -4.927 -8.530 1.00 0.00 H new ATOM 153 N ILE A 12 -3.758 -5.352 -6.515 1.00 0.00 N ATOM 154 CA ILE A 12 -2.393 -5.470 -6.031 1.00 0.00 C ATOM 155 C ILE A 12 -2.261 -6.744 -5.194 1.00 0.00 C ATOM 156 O ILE A 12 -1.369 -7.557 -5.431 1.00 0.00 O ATOM 157 CB ILE A 12 -1.977 -4.199 -5.286 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.830 -3.021 -6.252 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.705 -4.434 -4.470 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.596 -2.184 -5.911 1.00 0.00 C ATOM 0 H ILE A 12 -4.336 -4.686 -6.003 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.700 -5.564 -6.867 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.768 -3.941 -4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.751 -3.392 -7.274 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.722 -2.396 -6.207 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.431 -3.516 -3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.881 -5.225 -3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.105 -4.729 -5.136 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.515 -1.354 -6.612 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.689 -1.795 -4.897 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.296 -2.806 -5.980 1.00 0.00 H new ATOM 171 N ALA A 13 -3.163 -6.878 -4.232 1.00 0.00 N ATOM 172 CA ALA A 13 -3.158 -8.039 -3.359 1.00 0.00 C ATOM 173 C ALA A 13 -2.899 -9.296 -4.191 1.00 0.00 C ATOM 174 O ALA A 13 -2.071 -10.129 -3.823 1.00 0.00 O ATOM 175 CB ALA A 13 -4.482 -8.108 -2.595 1.00 0.00 C ATOM 0 H ALA A 13 -3.902 -6.202 -4.038 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.359 -7.962 -2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.479 -8.979 -1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.605 -7.205 -1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.307 -8.189 -3.303 1.00 0.00 H new ATOM 181 N GLU A 14 -3.622 -9.395 -5.297 1.00 0.00 N ATOM 182 CA GLU A 14 -3.480 -10.537 -6.184 1.00 0.00 C ATOM 183 C GLU A 14 -2.040 -10.642 -6.688 1.00 0.00 C ATOM 184 O GLU A 14 -1.449 -11.721 -6.669 1.00 0.00 O ATOM 185 CB GLU A 14 -4.465 -10.450 -7.352 1.00 0.00 C ATOM 186 CG GLU A 14 -5.825 -11.035 -6.967 1.00 0.00 C ATOM 187 CD GLU A 14 -6.701 -11.247 -8.204 1.00 0.00 C ATOM 188 OE1 GLU A 14 -6.294 -11.955 -9.137 1.00 0.00 O ATOM 189 OE2 GLU A 14 -7.841 -10.645 -8.174 1.00 0.00 O ATOM 0 H GLU A 14 -4.308 -8.703 -5.599 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.714 -11.441 -5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.585 -9.410 -7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.064 -10.987 -8.211 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.683 -11.984 -6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.329 -10.365 -6.271 1.00 0.00 H new ATOM 195 N ILE A 15 -1.516 -9.507 -7.127 1.00 0.00 N ATOM 196 CA ILE A 15 -0.155 -9.458 -7.635 1.00 0.00 C ATOM 197 C ILE A 15 0.817 -9.839 -6.517 1.00 0.00 C ATOM 198 O ILE A 15 1.771 -10.581 -6.745 1.00 0.00 O ATOM 199 CB ILE A 15 0.133 -8.092 -8.262 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.787 -7.831 -9.456 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.611 -7.963 -8.638 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.533 -6.445 -10.051 1.00 0.00 C ATOM 0 H ILE A 15 -2.009 -8.614 -7.142 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.021 -10.186 -8.435 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.079 -7.323 -7.519 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.625 -8.593 -10.218 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.828 -7.911 -9.142 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.789 -6.983 -9.082 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.225 -8.074 -7.744 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.873 -8.740 -9.357 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.200 -6.285 -10.898 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.720 -5.684 -9.293 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.502 -6.377 -10.386 1.00 0.00 H new ATOM 213 N ILE A 16 0.541 -9.314 -5.332 1.00 0.00 N ATOM 214 CA ILE A 16 1.379 -9.590 -4.178 1.00 0.00 C ATOM 215 C ILE A 16 1.483 -11.103 -3.979 1.00 0.00 C ATOM 216 O ILE A 16 2.518 -11.606 -3.543 1.00 0.00 O ATOM 217 CB ILE A 16 0.860 -8.842 -2.948 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.870 -7.330 -3.180 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.646 -9.235 -1.695 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.775 -6.571 -1.856 1.00 0.00 C ATOM 0 H ILE A 16 -0.251 -8.699 -5.146 1.00 0.00 H new ATOM 0 HA ILE A 16 2.391 -9.220 -4.344 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.177 -9.135 -2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.783 -7.045 -3.702 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.035 -7.052 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.257 -8.689 -0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.543 -10.306 -1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.699 -8.990 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.784 -5.498 -2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.151 -6.840 -1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.624 -6.833 -1.225 1.00 0.00 H new ATOM 231 N GLU A 17 0.398 -11.788 -4.308 1.00 0.00 N ATOM 232 CA GLU A 17 0.354 -13.233 -4.171 1.00 0.00 C ATOM 233 C GLU A 17 1.166 -13.897 -5.286 1.00 0.00 C ATOM 234 O GLU A 17 1.235 -15.123 -5.362 1.00 0.00 O ATOM 235 CB GLU A 17 -1.089 -13.741 -4.168 1.00 0.00 C ATOM 236 CG GLU A 17 -1.148 -15.226 -3.807 1.00 0.00 C ATOM 237 CD GLU A 17 -1.568 -16.068 -5.014 1.00 0.00 C ATOM 238 OE1 GLU A 17 -2.132 -15.530 -5.978 1.00 0.00 O ATOM 239 OE2 GLU A 17 -1.289 -17.324 -4.926 1.00 0.00 O ATOM 0 H GLU A 17 -0.458 -11.368 -4.670 1.00 0.00 H new ATOM 0 HA GLU A 17 0.800 -13.501 -3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.679 -13.166 -3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.535 -13.584 -5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.172 -15.556 -3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.854 -15.378 -2.990 1.00 0.00 H new ATOM 245 N GLU A 18 1.759 -13.058 -6.122 1.00 0.00 N ATOM 246 CA GLU A 18 2.563 -13.548 -7.228 1.00 0.00 C ATOM 247 C GLU A 18 4.050 -13.328 -6.942 1.00 0.00 C ATOM 248 O GLU A 18 4.869 -14.215 -7.177 1.00 0.00 O ATOM 249 CB GLU A 18 2.153 -12.879 -8.542 1.00 0.00 C ATOM 250 CG GLU A 18 0.660 -13.074 -8.814 1.00 0.00 C ATOM 251 CD GLU A 18 0.437 -13.907 -10.078 1.00 0.00 C ATOM 252 OE1 GLU A 18 0.106 -15.098 -9.984 1.00 0.00 O ATOM 253 OE2 GLU A 18 0.618 -13.274 -11.187 1.00 0.00 O ATOM 0 H GLU A 18 1.699 -12.042 -6.056 1.00 0.00 H new ATOM 0 HA GLU A 18 2.388 -14.619 -7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.382 -11.814 -8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.734 -13.297 -9.364 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.193 -13.568 -7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.177 -12.103 -8.924 1.00 0.00 H new ATOM 259 N VAL A 19 4.354 -12.141 -6.438 1.00 0.00 N ATOM 260 CA VAL A 19 5.728 -11.793 -6.118 1.00 0.00 C ATOM 261 C VAL A 19 6.069 -12.317 -4.721 1.00 0.00 C ATOM 262 O VAL A 19 6.914 -13.200 -4.574 1.00 0.00 O ATOM 263 CB VAL A 19 5.932 -10.283 -6.256 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.415 -9.943 -6.415 1.00 0.00 C ATOM 265 CG2 VAL A 19 5.113 -9.724 -7.421 1.00 0.00 C ATOM 0 H VAL A 19 3.672 -11.408 -6.243 1.00 0.00 H new ATOM 0 HA VAL A 19 6.415 -12.265 -6.820 1.00 0.00 H new ATOM 0 HB VAL A 19 5.577 -9.811 -5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.533 -8.864 -6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.964 -10.291 -5.540 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.807 -10.432 -7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.276 -8.649 -7.497 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.424 -10.205 -8.348 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.055 -9.919 -7.248 1.00 0.00 H new ATOM 275 N THR A 20 5.395 -11.752 -3.731 1.00 0.00 N ATOM 276 CA THR A 20 5.616 -12.151 -2.351 1.00 0.00 C ATOM 277 C THR A 20 4.927 -13.486 -2.065 1.00 0.00 C ATOM 278 O THR A 20 5.281 -14.180 -1.113 1.00 0.00 O ATOM 279 CB THR A 20 5.136 -11.013 -1.447 1.00 0.00 C ATOM 280 OG1 THR A 20 3.723 -10.998 -1.630 1.00 0.00 O ATOM 281 CG2 THR A 20 5.591 -9.639 -1.943 1.00 0.00 C ATOM 0 H THR A 20 4.695 -11.021 -3.857 1.00 0.00 H new ATOM 0 HA THR A 20 6.675 -12.319 -2.152 1.00 0.00 H new ATOM 0 HB THR A 20 5.506 -11.173 -0.434 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.506 -11.320 -2.530 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.224 -8.868 -1.266 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.680 -9.606 -1.974 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.194 -9.463 -2.943 1.00 0.00 H new ATOM 289 N GLY A 21 3.956 -13.807 -2.908 1.00 0.00 N ATOM 290 CA GLY A 21 3.214 -15.047 -2.757 1.00 0.00 C ATOM 291 C GLY A 21 2.301 -14.995 -1.531 1.00 0.00 C ATOM 292 O GLY A 21 1.907 -16.033 -1.001 1.00 0.00 O ATOM 0 H GLY A 21 3.666 -13.230 -3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.618 -15.229 -3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.909 -15.881 -2.662 1.00 0.00 H new ATOM 296 N ILE A 22 1.992 -13.776 -1.114 1.00 0.00 N ATOM 297 CA ILE A 22 1.133 -13.575 0.040 1.00 0.00 C ATOM 298 C ILE A 22 -0.329 -13.727 -0.384 1.00 0.00 C ATOM 299 O ILE A 22 -0.638 -13.714 -1.575 1.00 0.00 O ATOM 300 CB ILE A 22 1.442 -12.235 0.711 1.00 0.00 C ATOM 301 CG1 ILE A 22 2.916 -12.149 1.112 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.510 -11.989 1.900 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.323 -10.703 1.401 1.00 0.00 C ATOM 0 H ILE A 22 2.321 -12.917 -1.555 1.00 0.00 H new ATOM 0 HA ILE A 22 1.327 -14.336 0.796 1.00 0.00 H new ATOM 0 HB ILE A 22 1.258 -11.441 -0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.093 -12.763 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.538 -12.553 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.751 -11.030 2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.524 -11.977 1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.638 -12.785 2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.375 -10.671 1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.168 -10.096 0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.716 -10.310 2.217 1.00 0.00 H new ATOM 314 N GLU A 23 -1.190 -13.869 0.613 1.00 0.00 N ATOM 315 CA GLU A 23 -2.612 -14.024 0.358 1.00 0.00 C ATOM 316 C GLU A 23 -3.201 -12.715 -0.172 1.00 0.00 C ATOM 317 O GLU A 23 -2.676 -11.637 0.103 1.00 0.00 O ATOM 318 CB GLU A 23 -3.347 -14.487 1.617 1.00 0.00 C ATOM 319 CG GLU A 23 -3.818 -15.936 1.475 1.00 0.00 C ATOM 320 CD GLU A 23 -4.231 -16.513 2.830 1.00 0.00 C ATOM 321 OE1 GLU A 23 -4.974 -15.864 3.581 1.00 0.00 O ATOM 322 OE2 GLU A 23 -3.751 -17.682 3.094 1.00 0.00 O ATOM 0 H GLU A 23 -0.930 -13.880 1.599 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.744 -14.793 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.688 -14.398 2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.204 -13.839 1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.660 -15.983 0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.020 -16.541 1.046 1.00 0.00 H new ATOM 328 N PRO A 24 -4.314 -12.856 -0.942 1.00 0.00 N ATOM 329 CA PRO A 24 -4.981 -11.698 -1.513 1.00 0.00 C ATOM 330 C PRO A 24 -5.773 -10.941 -0.445 1.00 0.00 C ATOM 331 O PRO A 24 -5.645 -9.724 -0.319 1.00 0.00 O ATOM 332 CB PRO A 24 -5.859 -12.256 -2.620 1.00 0.00 C ATOM 333 CG PRO A 24 -6.008 -13.740 -2.326 1.00 0.00 C ATOM 334 CD PRO A 24 -4.963 -14.117 -1.288 1.00 0.00 C ATOM 0 HA PRO A 24 -4.282 -10.963 -1.911 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.830 -11.761 -2.635 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.404 -12.095 -3.598 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.010 -13.957 -1.955 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.871 -14.325 -3.235 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.422 -14.579 -0.414 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.247 -14.834 -1.689 1.00 0.00 H new ATOM 339 N SER A 25 -6.574 -11.692 0.295 1.00 0.00 N ATOM 340 CA SER A 25 -7.388 -11.107 1.348 1.00 0.00 C ATOM 341 C SER A 25 -6.494 -10.620 2.490 1.00 0.00 C ATOM 342 O SER A 25 -6.880 -9.732 3.250 1.00 0.00 O ATOM 343 CB SER A 25 -8.418 -12.110 1.870 1.00 0.00 C ATOM 344 OG SER A 25 -9.730 -11.556 1.909 1.00 0.00 O ATOM 0 H SER A 25 -6.677 -12.701 0.187 1.00 0.00 H new ATOM 0 HA SER A 25 -7.929 -10.257 0.931 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.417 -12.995 1.234 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.132 -12.436 2.870 1.00 0.00 H new ATOM 0 HG SER A 25 -10.359 -12.228 2.246 1.00 0.00 H new ATOM 349 N GLU A 26 -5.317 -11.222 2.576 1.00 0.00 N ATOM 350 CA GLU A 26 -4.365 -10.860 3.613 1.00 0.00 C ATOM 351 C GLU A 26 -3.915 -9.409 3.438 1.00 0.00 C ATOM 352 O GLU A 26 -3.874 -8.647 4.403 1.00 0.00 O ATOM 353 CB GLU A 26 -3.166 -11.810 3.611 1.00 0.00 C ATOM 354 CG GLU A 26 -2.466 -11.812 4.972 1.00 0.00 C ATOM 355 CD GLU A 26 -1.099 -12.494 4.885 1.00 0.00 C ATOM 356 OE1 GLU A 26 -0.064 -11.826 5.018 1.00 0.00 O ATOM 357 OE2 GLU A 26 -1.137 -13.766 4.672 1.00 0.00 O ATOM 0 H GLU A 26 -5.001 -11.958 1.945 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.859 -10.952 4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.498 -12.819 3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.461 -11.510 2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.343 -10.787 5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.088 -12.328 5.704 1.00 0.00 H new ATOM 363 N ILE A 27 -3.589 -9.069 2.199 1.00 0.00 N ATOM 364 CA ILE A 27 -3.143 -7.722 1.885 1.00 0.00 C ATOM 365 C ILE A 27 -4.262 -6.731 2.211 1.00 0.00 C ATOM 366 O ILE A 27 -5.413 -6.942 1.831 1.00 0.00 O ATOM 367 CB ILE A 27 -2.653 -7.644 0.438 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.209 -8.134 0.320 1.00 0.00 C ATOM 369 CG2 ILE A 27 -2.827 -6.231 -0.124 1.00 0.00 C ATOM 370 CD1 ILE A 27 -0.936 -9.277 1.300 1.00 0.00 C ATOM 0 H ILE A 27 -3.625 -9.703 1.401 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.286 -7.450 2.502 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.268 -8.310 -0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.017 -8.470 -0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.524 -7.309 0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.471 -6.203 -1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.881 -5.956 -0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.253 -5.527 0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.098 -9.607 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.105 -8.930 2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.606 -10.109 1.084 1.00 0.00 H new ATOM 381 N THR A 28 -3.884 -5.670 2.910 1.00 0.00 N ATOM 382 CA THR A 28 -4.842 -4.646 3.290 1.00 0.00 C ATOM 383 C THR A 28 -4.239 -3.253 3.093 1.00 0.00 C ATOM 384 O THR A 28 -3.033 -3.117 2.893 1.00 0.00 O ATOM 385 CB THR A 28 -5.280 -4.920 4.730 1.00 0.00 C ATOM 386 OG1 THR A 28 -4.165 -5.590 5.311 1.00 0.00 O ATOM 387 CG2 THR A 28 -6.414 -5.944 4.812 1.00 0.00 C ATOM 0 H THR A 28 -2.928 -5.498 3.223 1.00 0.00 H new ATOM 0 HA THR A 28 -5.727 -4.676 2.654 1.00 0.00 H new ATOM 0 HB THR A 28 -5.598 -3.987 5.196 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.302 -5.676 6.278 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.687 -6.102 5.855 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.279 -5.573 4.263 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.085 -6.887 4.376 1.00 0.00 H new ATOM 395 N PRO A 29 -5.129 -2.227 3.159 1.00 0.00 N ATOM 396 CA PRO A 29 -4.698 -0.850 2.990 1.00 0.00 C ATOM 397 C PRO A 29 -3.972 -0.346 4.239 1.00 0.00 C ATOM 398 O PRO A 29 -3.561 0.812 4.298 1.00 0.00 O ATOM 399 CB PRO A 29 -5.969 -0.074 2.688 1.00 0.00 C ATOM 400 CG PRO A 29 -7.116 -0.954 3.155 1.00 0.00 C ATOM 401 CD PRO A 29 -6.565 -2.350 3.395 1.00 0.00 C ATOM 0 HA PRO A 29 -3.974 -0.732 2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.975 0.884 3.208 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.051 0.142 1.623 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.556 -0.555 4.069 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.907 -0.980 2.406 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -6.772 -2.688 4.410 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.017 -3.076 2.719 1.00 0.00 H new ATOM 406 N GLU A 30 -3.835 -1.240 5.207 1.00 0.00 N ATOM 407 CA GLU A 30 -3.166 -0.901 6.451 1.00 0.00 C ATOM 408 C GLU A 30 -1.699 -1.331 6.399 1.00 0.00 C ATOM 409 O GLU A 30 -0.966 -1.169 7.374 1.00 0.00 O ATOM 410 CB GLU A 30 -3.881 -1.532 7.648 1.00 0.00 C ATOM 411 CG GLU A 30 -4.111 -3.028 7.422 1.00 0.00 C ATOM 412 CD GLU A 30 -3.735 -3.834 8.667 1.00 0.00 C ATOM 413 OE1 GLU A 30 -3.567 -3.258 9.752 1.00 0.00 O ATOM 414 OE2 GLU A 30 -3.619 -5.105 8.478 1.00 0.00 O ATOM 0 H GLU A 30 -4.176 -2.200 5.155 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.203 0.181 6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.288 -1.384 8.550 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.837 -1.034 7.810 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.157 -3.205 7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.518 -3.367 6.572 1.00 0.00 H new ATOM 420 N LYS A 31 -1.314 -1.871 5.252 1.00 0.00 N ATOM 421 CA LYS A 31 0.053 -2.325 5.061 1.00 0.00 C ATOM 422 C LYS A 31 1.007 -1.138 5.213 1.00 0.00 C ATOM 423 O LYS A 31 0.572 0.012 5.239 1.00 0.00 O ATOM 424 CB LYS A 31 0.192 -3.057 3.724 1.00 0.00 C ATOM 425 CG LYS A 31 -0.632 -4.347 3.718 1.00 0.00 C ATOM 426 CD LYS A 31 0.276 -5.578 3.751 1.00 0.00 C ATOM 427 CE LYS A 31 -0.104 -6.509 4.904 1.00 0.00 C ATOM 428 NZ LYS A 31 -0.967 -7.609 4.419 1.00 0.00 N ATOM 0 H LYS A 31 -1.925 -2.004 4.446 1.00 0.00 H new ATOM 0 HA LYS A 31 0.323 -3.052 5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.137 -2.407 2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.241 -3.290 3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.300 -4.360 4.579 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.260 -4.378 2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.201 -6.115 2.805 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.315 -5.265 3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.797 -6.920 5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.624 -5.945 5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.928 -8.403 5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.947 -7.272 4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.633 -7.927 3.487 1.00 0.00 H new ATOM 437 N SER A 32 2.289 -1.459 5.310 1.00 0.00 N ATOM 438 CA SER A 32 3.307 -0.434 5.460 1.00 0.00 C ATOM 439 C SER A 32 4.408 -0.634 4.416 1.00 0.00 C ATOM 440 O SER A 32 5.471 -0.021 4.505 1.00 0.00 O ATOM 441 CB SER A 32 3.903 -0.450 6.869 1.00 0.00 C ATOM 442 OG SER A 32 4.101 0.865 7.380 1.00 0.00 O ATOM 0 H SER A 32 2.646 -2.414 5.288 1.00 0.00 H new ATOM 0 HA SER A 32 2.839 0.538 5.305 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.241 -1.002 7.536 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.855 -0.980 6.854 1.00 0.00 H new ATOM 0 HG SER A 32 4.481 0.812 8.282 1.00 0.00 H new ATOM 447 N PHE A 33 4.115 -1.493 3.451 1.00 0.00 N ATOM 448 CA PHE A 33 5.067 -1.782 2.392 1.00 0.00 C ATOM 449 C PHE A 33 6.127 -2.779 2.864 1.00 0.00 C ATOM 450 O PHE A 33 6.565 -3.635 2.096 1.00 0.00 O ATOM 451 CB PHE A 33 5.750 -0.461 2.032 1.00 0.00 C ATOM 452 CG PHE A 33 6.014 -0.284 0.536 1.00 0.00 C ATOM 453 CD1 PHE A 33 4.988 0.017 -0.305 1.00 0.00 C ATOM 454 CD2 PHE A 33 7.275 -0.426 0.046 1.00 0.00 C ATOM 455 CE1 PHE A 33 5.233 0.181 -1.694 1.00 0.00 C ATOM 456 CE2 PHE A 33 7.520 -0.262 -1.343 1.00 0.00 C ATOM 457 CZ PHE A 33 6.494 0.038 -2.184 1.00 0.00 C ATOM 0 H PHE A 33 3.232 -1.998 3.380 1.00 0.00 H new ATOM 0 HA PHE A 33 4.551 -2.220 1.537 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.129 0.364 2.381 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.697 -0.396 2.568 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.987 0.131 0.084 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.090 -0.664 0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.418 0.419 -2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.521 -0.375 -1.732 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.680 0.163 -3.240 1.00 0.00 H new ATOM 466 N VAL A 34 6.510 -2.634 4.124 1.00 0.00 N ATOM 467 CA VAL A 34 7.511 -3.511 4.707 1.00 0.00 C ATOM 468 C VAL A 34 7.067 -3.920 6.113 1.00 0.00 C ATOM 469 O VAL A 34 6.953 -5.108 6.411 1.00 0.00 O ATOM 470 CB VAL A 34 8.880 -2.829 4.687 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.559 -2.922 6.055 1.00 0.00 C ATOM 472 CG2 VAL A 34 9.771 -3.419 3.592 1.00 0.00 C ATOM 0 H VAL A 34 6.145 -1.922 4.757 1.00 0.00 H new ATOM 0 HA VAL A 34 7.609 -4.423 4.119 1.00 0.00 H new ATOM 0 HB VAL A 34 8.725 -1.774 4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.530 -2.429 6.013 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.936 -2.433 6.804 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.695 -3.970 6.323 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.738 -2.916 3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.914 -4.484 3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.296 -3.277 2.621 1.00 0.00 H new ATOM 482 N ASP A 35 6.830 -2.913 6.940 1.00 0.00 N ATOM 483 CA ASP A 35 6.401 -3.153 8.308 1.00 0.00 C ATOM 484 C ASP A 35 5.433 -4.337 8.334 1.00 0.00 C ATOM 485 O ASP A 35 5.378 -5.078 9.314 1.00 0.00 O ATOM 486 CB ASP A 35 5.674 -1.935 8.879 1.00 0.00 C ATOM 487 CG ASP A 35 5.740 -1.797 10.401 1.00 0.00 C ATOM 488 OD1 ASP A 35 6.520 -2.489 11.072 1.00 0.00 O ATOM 489 OD2 ASP A 35 4.936 -0.923 10.905 1.00 0.00 O ATOM 0 H ASP A 35 6.927 -1.929 6.690 1.00 0.00 H new ATOM 0 HA ASP A 35 7.288 -3.357 8.908 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.095 -1.036 8.429 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.627 -1.982 8.579 1.00 0.00 H new ATOM 494 N ASP A 36 4.692 -4.478 7.245 1.00 0.00 N ATOM 495 CA ASP A 36 3.728 -5.560 7.130 1.00 0.00 C ATOM 496 C ASP A 36 4.272 -6.623 6.173 1.00 0.00 C ATOM 497 O ASP A 36 4.592 -7.734 6.592 1.00 0.00 O ATOM 498 CB ASP A 36 2.397 -5.054 6.569 1.00 0.00 C ATOM 499 CG ASP A 36 1.185 -5.284 7.473 1.00 0.00 C ATOM 500 OD1 ASP A 36 0.591 -6.373 7.481 1.00 0.00 O ATOM 501 OD2 ASP A 36 0.849 -4.274 8.202 1.00 0.00 O ATOM 0 H ASP A 36 4.739 -3.861 6.434 1.00 0.00 H new ATOM 0 HA ASP A 36 3.566 -5.974 8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.486 -3.986 6.371 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.215 -5.542 5.611 1.00 0.00 H new ATOM 506 N LEU A 37 4.359 -6.244 4.907 1.00 0.00 N ATOM 507 CA LEU A 37 4.858 -7.151 3.887 1.00 0.00 C ATOM 508 C LEU A 37 6.067 -7.912 4.436 1.00 0.00 C ATOM 509 O LEU A 37 6.085 -9.142 4.432 1.00 0.00 O ATOM 510 CB LEU A 37 5.146 -6.393 2.590 1.00 0.00 C ATOM 511 CG LEU A 37 3.924 -5.861 1.839 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.332 -5.223 0.510 1.00 0.00 C ATOM 513 CD2 LEU A 37 2.876 -6.961 1.649 1.00 0.00 C ATOM 0 H LEU A 37 4.092 -5.321 4.564 1.00 0.00 H new ATOM 0 HA LEU A 37 4.101 -7.893 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.800 -5.552 2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.699 -7.053 1.922 1.00 0.00 H new ATOM 0 HG LEU A 37 3.465 -5.079 2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.445 -4.853 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.014 -4.394 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.828 -5.967 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.017 -6.557 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.309 -7.781 1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.554 -7.329 2.623 1.00 0.00 H new ATOM 524 N ASP A 38 7.049 -7.149 4.894 1.00 0.00 N ATOM 525 CA ASP A 38 8.258 -7.735 5.444 1.00 0.00 C ATOM 526 C ASP A 38 9.050 -8.408 4.321 1.00 0.00 C ATOM 527 O ASP A 38 9.992 -9.156 4.582 1.00 0.00 O ATOM 528 CB ASP A 38 7.927 -8.800 6.492 1.00 0.00 C ATOM 529 CG ASP A 38 8.873 -8.840 7.694 1.00 0.00 C ATOM 530 OD1 ASP A 38 8.656 -8.150 8.701 1.00 0.00 O ATOM 531 OD2 ASP A 38 9.882 -9.634 7.567 1.00 0.00 O ATOM 0 H ASP A 38 7.031 -6.129 4.895 1.00 0.00 H new ATOM 0 HA ASP A 38 8.837 -6.938 5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.912 -8.630 6.853 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.935 -9.778 6.010 1.00 0.00 H new ATOM 536 N ILE A 39 8.640 -8.119 3.095 1.00 0.00 N ATOM 537 CA ILE A 39 9.299 -8.687 1.932 1.00 0.00 C ATOM 538 C ILE A 39 10.404 -7.738 1.464 1.00 0.00 C ATOM 539 O ILE A 39 11.295 -8.138 0.716 1.00 0.00 O ATOM 540 CB ILE A 39 8.275 -9.021 0.845 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.689 -10.271 0.067 1.00 0.00 C ATOM 542 CG2 ILE A 39 8.043 -7.822 -0.077 1.00 0.00 C ATOM 543 CD1 ILE A 39 10.116 -10.137 -0.467 1.00 0.00 C ATOM 0 H ILE A 39 7.859 -7.498 2.882 1.00 0.00 H new ATOM 0 HA ILE A 39 9.777 -9.633 2.189 1.00 0.00 H new ATOM 0 HB ILE A 39 7.324 -9.244 1.329 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.620 -11.146 0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.000 -10.432 -0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.311 -8.086 -0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.670 -6.981 0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.982 -7.544 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.385 -11.039 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.176 -9.276 -1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.805 -10.000 0.366 1.00 0.00 H new ATOM 554 N ASP A 40 10.311 -6.499 1.923 1.00 0.00 N ATOM 555 CA ASP A 40 11.292 -5.490 1.561 1.00 0.00 C ATOM 556 C ASP A 40 10.860 -4.808 0.261 1.00 0.00 C ATOM 557 O ASP A 40 9.743 -5.015 -0.211 1.00 0.00 O ATOM 558 CB ASP A 40 12.668 -6.118 1.331 1.00 0.00 C ATOM 559 CG ASP A 40 13.855 -5.198 1.621 1.00 0.00 C ATOM 560 OD1 ASP A 40 14.777 -5.066 0.802 1.00 0.00 O ATOM 561 OD2 ASP A 40 13.809 -4.592 2.759 1.00 0.00 O ATOM 0 H ASP A 40 9.571 -6.170 2.543 1.00 0.00 H new ATOM 0 HA ASP A 40 11.355 -4.772 2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.755 -7.006 1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.730 -6.451 0.295 1.00 0.00 H new ATOM 566 N SER A 41 11.767 -4.008 -0.280 1.00 0.00 N ATOM 567 CA SER A 41 11.493 -3.295 -1.516 1.00 0.00 C ATOM 568 C SER A 41 11.862 -4.168 -2.717 1.00 0.00 C ATOM 569 O SER A 41 11.703 -3.752 -3.863 1.00 0.00 O ATOM 570 CB SER A 41 12.258 -1.971 -1.568 1.00 0.00 C ATOM 571 OG SER A 41 13.634 -2.135 -1.234 1.00 0.00 O ATOM 0 H SER A 41 12.692 -3.838 0.115 1.00 0.00 H new ATOM 0 HA SER A 41 10.427 -3.070 -1.552 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.176 -1.544 -2.568 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.800 -1.261 -0.880 1.00 0.00 H new ATOM 0 HG SER A 41 14.088 -1.268 -1.281 1.00 0.00 H new ATOM 576 N LEU A 42 12.347 -5.363 -2.412 1.00 0.00 N ATOM 577 CA LEU A 42 12.740 -6.298 -3.453 1.00 0.00 C ATOM 578 C LEU A 42 11.495 -6.759 -4.214 1.00 0.00 C ATOM 579 O LEU A 42 11.324 -6.430 -5.388 1.00 0.00 O ATOM 580 CB LEU A 42 13.558 -7.447 -2.860 1.00 0.00 C ATOM 581 CG LEU A 42 15.011 -7.546 -3.326 1.00 0.00 C ATOM 582 CD1 LEU A 42 15.963 -7.667 -2.134 1.00 0.00 C ATOM 583 CD2 LEU A 42 15.191 -8.694 -4.321 1.00 0.00 C ATOM 0 H LEU A 42 12.477 -5.705 -1.460 1.00 0.00 H new ATOM 0 HA LEU A 42 13.395 -5.811 -4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.551 -7.349 -1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.056 -8.385 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 42 15.265 -6.624 -3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.990 -7.736 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.860 -6.789 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.718 -8.562 -1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.233 -8.742 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.912 -9.634 -3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.556 -8.525 -5.191 1.00 0.00 H new ATOM 594 N SER A 43 10.658 -7.512 -3.516 1.00 0.00 N ATOM 595 CA SER A 43 9.434 -8.020 -4.112 1.00 0.00 C ATOM 596 C SER A 43 8.494 -6.861 -4.446 1.00 0.00 C ATOM 597 O SER A 43 7.970 -6.782 -5.557 1.00 0.00 O ATOM 598 CB SER A 43 8.740 -9.015 -3.180 1.00 0.00 C ATOM 599 OG SER A 43 7.782 -9.813 -3.869 1.00 0.00 O ATOM 0 H SER A 43 10.803 -7.783 -2.543 1.00 0.00 H new ATOM 0 HA SER A 43 9.693 -8.545 -5.031 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.487 -9.662 -2.720 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.247 -8.473 -2.373 1.00 0.00 H new ATOM 0 HG SER A 43 8.054 -10.754 -3.834 1.00 0.00 H new ATOM 604 N MET A 44 8.308 -5.989 -3.466 1.00 0.00 N ATOM 605 CA MET A 44 7.440 -4.838 -3.642 1.00 0.00 C ATOM 606 C MET A 44 7.737 -4.124 -4.962 1.00 0.00 C ATOM 607 O MET A 44 6.829 -3.610 -5.613 1.00 0.00 O ATOM 608 CB MET A 44 7.640 -3.864 -2.479 1.00 0.00 C ATOM 609 CG MET A 44 6.639 -4.139 -1.356 1.00 0.00 C ATOM 610 SD MET A 44 5.440 -2.818 -1.270 1.00 0.00 S ATOM 611 CE MET A 44 4.066 -3.592 -2.107 1.00 0.00 C ATOM 0 H MET A 44 8.744 -6.057 -2.547 1.00 0.00 H new ATOM 0 HA MET A 44 6.407 -5.186 -3.663 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.656 -3.954 -2.095 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.522 -2.840 -2.833 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.134 -5.089 -1.532 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.163 -4.228 -0.404 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.135 -3.306 -1.619 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.045 -3.268 -3.148 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.179 -4.675 -2.067 1.00 0.00 H new ATOM 619 N VAL A 45 9.013 -4.115 -5.319 1.00 0.00 N ATOM 620 CA VAL A 45 9.442 -3.473 -6.550 1.00 0.00 C ATOM 621 C VAL A 45 8.759 -4.153 -7.739 1.00 0.00 C ATOM 622 O VAL A 45 8.451 -3.503 -8.737 1.00 0.00 O ATOM 623 CB VAL A 45 10.969 -3.492 -6.646 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.425 -3.605 -8.103 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.576 -2.259 -5.975 1.00 0.00 C ATOM 0 H VAL A 45 9.764 -4.542 -4.777 1.00 0.00 H new ATOM 0 HA VAL A 45 9.143 -2.425 -6.559 1.00 0.00 H new ATOM 0 HB VAL A 45 11.328 -4.373 -6.113 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.514 -3.616 -8.144 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.036 -4.527 -8.536 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.050 -2.752 -8.669 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.662 -2.298 -6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.206 -1.359 -6.466 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.293 -2.241 -4.923 1.00 0.00 H new ATOM 635 N GLU A 46 8.543 -5.452 -7.593 1.00 0.00 N ATOM 636 CA GLU A 46 7.902 -6.226 -8.642 1.00 0.00 C ATOM 637 C GLU A 46 6.403 -5.924 -8.685 1.00 0.00 C ATOM 638 O GLU A 46 5.869 -5.563 -9.733 1.00 0.00 O ATOM 639 CB GLU A 46 8.155 -7.723 -8.451 1.00 0.00 C ATOM 640 CG GLU A 46 8.933 -8.303 -9.634 1.00 0.00 C ATOM 641 CD GLU A 46 10.431 -8.362 -9.329 1.00 0.00 C ATOM 642 OE1 GLU A 46 10.949 -7.503 -8.599 1.00 0.00 O ATOM 643 OE2 GLU A 46 11.062 -9.343 -9.879 1.00 0.00 O ATOM 0 H GLU A 46 8.801 -5.988 -6.764 1.00 0.00 H new ATOM 0 HA GLU A 46 8.338 -5.936 -9.598 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.713 -7.886 -7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.204 -8.246 -8.345 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.565 -9.304 -9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.763 -7.692 -10.521 1.00 0.00 H new ATOM 649 N ILE A 47 5.767 -6.084 -7.534 1.00 0.00 N ATOM 650 CA ILE A 47 4.340 -5.833 -7.427 1.00 0.00 C ATOM 651 C ILE A 47 3.996 -4.541 -8.171 1.00 0.00 C ATOM 652 O ILE A 47 2.955 -4.452 -8.820 1.00 0.00 O ATOM 653 CB ILE A 47 3.904 -5.833 -5.960 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.729 -7.261 -5.440 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.641 -4.992 -5.763 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.337 -7.414 -4.044 1.00 0.00 C ATOM 0 H ILE A 47 6.214 -6.384 -6.668 1.00 0.00 H new ATOM 0 HA ILE A 47 3.776 -6.635 -7.903 1.00 0.00 H new ATOM 0 HB ILE A 47 4.694 -5.370 -5.369 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.669 -7.513 -5.409 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.203 -7.963 -6.126 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.353 -5.009 -4.712 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.837 -3.964 -6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.832 -5.403 -6.368 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.199 -8.438 -3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.402 -7.185 -4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.844 -6.728 -3.355 1.00 0.00 H new ATOM 667 N ALA A 48 4.891 -3.571 -8.051 1.00 0.00 N ATOM 668 CA ALA A 48 4.696 -2.288 -8.704 1.00 0.00 C ATOM 669 C ALA A 48 4.939 -2.443 -10.207 1.00 0.00 C ATOM 670 O ALA A 48 4.132 -1.993 -11.019 1.00 0.00 O ATOM 671 CB ALA A 48 5.619 -1.246 -8.068 1.00 0.00 C ATOM 0 H ALA A 48 5.753 -3.648 -7.511 1.00 0.00 H new ATOM 0 HA ALA A 48 3.671 -1.941 -8.570 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.473 -0.283 -8.558 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.386 -1.153 -7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.656 -1.559 -8.185 1.00 0.00 H new ATOM 677 N VAL A 49 6.054 -3.081 -10.531 1.00 0.00 N ATOM 678 CA VAL A 49 6.413 -3.300 -11.921 1.00 0.00 C ATOM 679 C VAL A 49 5.207 -3.868 -12.672 1.00 0.00 C ATOM 680 O VAL A 49 5.089 -3.698 -13.884 1.00 0.00 O ATOM 681 CB VAL A 49 7.648 -4.200 -12.007 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.250 -5.654 -12.268 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.620 -3.696 -13.076 1.00 0.00 C ATOM 0 H VAL A 49 6.720 -3.453 -9.854 1.00 0.00 H new ATOM 0 HA VAL A 49 6.679 -2.357 -12.399 1.00 0.00 H new ATOM 0 HB VAL A 49 8.159 -4.161 -11.045 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.146 -6.272 -12.325 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.615 -6.009 -11.456 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.705 -5.719 -13.210 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.489 -4.353 -13.117 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.123 -3.691 -14.046 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.941 -2.685 -12.828 1.00 0.00 H new ATOM 693 N GLN A 50 4.341 -4.532 -11.919 1.00 0.00 N ATOM 694 CA GLN A 50 3.148 -5.126 -12.498 1.00 0.00 C ATOM 695 C GLN A 50 1.996 -4.119 -12.490 1.00 0.00 C ATOM 696 O GLN A 50 1.462 -3.773 -13.542 1.00 0.00 O ATOM 697 CB GLN A 50 2.761 -6.408 -11.760 1.00 0.00 C ATOM 698 CG GLN A 50 3.902 -7.427 -11.795 1.00 0.00 C ATOM 699 CD GLN A 50 3.434 -8.792 -11.286 1.00 0.00 C ATOM 700 OE1 GLN A 50 3.898 -9.108 -10.080 1.00 0.00 O flip ATOM 701 NE2 GLN A 50 2.700 -9.511 -11.944 1.00 0.00 N flip ATOM 0 H GLN A 50 4.442 -4.671 -10.914 1.00 0.00 H new ATOM 0 HA GLN A 50 3.364 -5.393 -13.533 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.509 -6.174 -10.726 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.870 -6.839 -12.216 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.277 -7.524 -12.814 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.731 -7.071 -11.183 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.380 -9.208 -12.864 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.407 -10.415 -11.574 1.00 0.00 H new ATOM 708 N THR A 51 1.648 -3.677 -11.290 1.00 0.00 N ATOM 709 CA THR A 51 0.569 -2.717 -11.131 1.00 0.00 C ATOM 710 C THR A 51 0.783 -1.516 -12.054 1.00 0.00 C ATOM 711 O THR A 51 -0.170 -0.993 -12.630 1.00 0.00 O ATOM 712 CB THR A 51 0.487 -2.339 -9.651 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.174 -3.446 -9.045 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.454 -1.159 -9.399 1.00 0.00 C ATOM 0 H THR A 51 2.094 -3.966 -10.419 1.00 0.00 H new ATOM 0 HA THR A 51 -0.389 -3.146 -11.425 1.00 0.00 H new ATOM 0 HB THR A 51 1.484 -2.093 -9.284 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.244 -3.643 -8.181 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.476 -0.932 -8.333 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.099 -0.287 -9.949 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.458 -1.416 -9.735 1.00 0.00 H new ATOM 722 N GLU A 52 2.040 -1.113 -12.166 1.00 0.00 N ATOM 723 CA GLU A 52 2.392 0.016 -13.010 1.00 0.00 C ATOM 724 C GLU A 52 2.339 -0.386 -14.485 1.00 0.00 C ATOM 725 O GLU A 52 2.566 0.442 -15.366 1.00 0.00 O ATOM 726 CB GLU A 52 3.771 0.568 -12.641 1.00 0.00 C ATOM 727 CG GLU A 52 3.699 1.420 -11.373 1.00 0.00 C ATOM 728 CD GLU A 52 4.722 0.949 -10.337 1.00 0.00 C ATOM 729 OE1 GLU A 52 5.926 0.901 -10.632 1.00 0.00 O ATOM 730 OE2 GLU A 52 4.228 0.628 -9.190 1.00 0.00 O ATOM 0 H GLU A 52 2.828 -1.548 -11.686 1.00 0.00 H new ATOM 0 HA GLU A 52 1.663 0.809 -12.844 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.468 -0.256 -12.490 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.159 1.167 -13.465 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.883 2.465 -11.622 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.696 1.365 -10.950 1.00 0.00 H new ATOM 736 N ASP A 53 2.037 -1.656 -14.708 1.00 0.00 N ATOM 737 CA ASP A 53 1.951 -2.178 -16.062 1.00 0.00 C ATOM 738 C ASP A 53 0.515 -2.630 -16.339 1.00 0.00 C ATOM 739 O ASP A 53 -0.138 -2.113 -17.244 1.00 0.00 O ATOM 740 CB ASP A 53 2.871 -3.386 -16.246 1.00 0.00 C ATOM 741 CG ASP A 53 3.797 -3.314 -17.461 1.00 0.00 C ATOM 742 OD1 ASP A 53 5.026 -3.215 -17.323 1.00 0.00 O ATOM 743 OD2 ASP A 53 3.202 -3.365 -18.604 1.00 0.00 O ATOM 0 H ASP A 53 1.849 -2.339 -13.974 1.00 0.00 H new ATOM 0 HA ASP A 53 2.253 -1.387 -16.748 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.481 -3.499 -15.350 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.257 -4.282 -16.329 1.00 0.00 H new ATOM 748 N LYS A 54 0.067 -3.591 -15.544 1.00 0.00 N ATOM 749 CA LYS A 54 -1.278 -4.118 -15.692 1.00 0.00 C ATOM 750 C LYS A 54 -2.245 -2.966 -15.970 1.00 0.00 C ATOM 751 O LYS A 54 -3.128 -3.082 -16.818 1.00 0.00 O ATOM 752 CB LYS A 54 -1.660 -4.962 -14.474 1.00 0.00 C ATOM 753 CG LYS A 54 -1.385 -6.446 -14.727 1.00 0.00 C ATOM 754 CD LYS A 54 -1.395 -7.236 -13.417 1.00 0.00 C ATOM 755 CE LYS A 54 -1.498 -8.739 -13.684 1.00 0.00 C ATOM 756 NZ LYS A 54 -2.580 -9.337 -12.870 1.00 0.00 N ATOM 0 H LYS A 54 0.612 -4.018 -14.795 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.331 -4.792 -16.547 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.096 -4.627 -13.604 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.716 -4.818 -14.244 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.138 -6.849 -15.405 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.419 -6.562 -15.219 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.486 -7.025 -12.854 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.234 -6.914 -12.800 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.692 -8.914 -14.742 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.549 -9.222 -13.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.636 -10.357 -13.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.379 -9.186 -11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.486 -8.888 -13.113 1.00 0.00 H new ATOM 765 N TYR A 55 -2.047 -1.879 -15.238 1.00 0.00 N ATOM 766 CA TYR A 55 -2.890 -0.707 -15.395 1.00 0.00 C ATOM 767 C TYR A 55 -2.140 0.417 -16.112 1.00 0.00 C ATOM 768 O TYR A 55 -2.620 0.950 -17.112 1.00 0.00 O ATOM 769 CB TYR A 55 -3.240 -0.247 -13.978 1.00 0.00 C ATOM 770 CG TYR A 55 -4.293 0.863 -13.927 1.00 0.00 C ATOM 771 CD1 TYR A 55 -3.909 2.183 -14.048 1.00 0.00 C ATOM 772 CD2 TYR A 55 -5.625 0.544 -13.759 1.00 0.00 C ATOM 773 CE1 TYR A 55 -4.900 3.227 -14.000 1.00 0.00 C ATOM 774 CE2 TYR A 55 -6.615 1.588 -13.710 1.00 0.00 C ATOM 775 CZ TYR A 55 -6.204 2.878 -13.833 1.00 0.00 C ATOM 776 OH TYR A 55 -7.139 3.865 -13.787 1.00 0.00 O ATOM 0 H TYR A 55 -1.314 -1.786 -14.534 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.773 -0.946 -15.988 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.601 -1.103 -13.408 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.333 0.104 -13.486 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.866 2.433 -14.179 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.925 -0.489 -13.664 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.614 4.264 -14.095 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.661 1.352 -13.578 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.027 3.469 -13.665 1.00 0.00 H new ATOM 785 N GLY A 56 -0.974 0.744 -15.574 1.00 0.00 N ATOM 786 CA GLY A 56 -0.152 1.794 -16.151 1.00 0.00 C ATOM 787 C GLY A 56 -0.092 3.013 -15.227 1.00 0.00 C ATOM 788 O GLY A 56 0.119 4.134 -15.686 1.00 0.00 O ATOM 0 H GLY A 56 -0.579 0.300 -14.745 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.855 1.417 -16.327 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.557 2.087 -17.120 1.00 0.00 H new ATOM 792 N VAL A 57 -0.281 2.751 -13.942 1.00 0.00 N ATOM 793 CA VAL A 57 -0.252 3.812 -12.950 1.00 0.00 C ATOM 794 C VAL A 57 1.152 4.420 -12.901 1.00 0.00 C ATOM 795 O VAL A 57 2.123 3.781 -13.303 1.00 0.00 O ATOM 796 CB VAL A 57 -0.718 3.275 -11.595 1.00 0.00 C ATOM 797 CG1 VAL A 57 -2.056 2.544 -11.726 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.344 2.367 -10.970 1.00 0.00 C ATOM 0 H VAL A 57 -0.455 1.819 -13.565 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.943 4.609 -13.224 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.865 4.126 -10.930 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.365 2.172 -10.749 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.811 3.232 -12.107 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.947 1.706 -12.415 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.012 1.999 -10.008 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.537 1.523 -11.632 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.265 2.931 -10.824 1.00 0.00 H new ATOM 808 N LYS A 58 1.213 5.647 -12.405 1.00 0.00 N ATOM 809 CA LYS A 58 2.482 6.348 -12.298 1.00 0.00 C ATOM 810 C LYS A 58 2.987 6.263 -10.857 1.00 0.00 C ATOM 811 O LYS A 58 2.484 6.961 -9.977 1.00 0.00 O ATOM 812 CB LYS A 58 2.348 7.780 -12.820 1.00 0.00 C ATOM 813 CG LYS A 58 1.326 8.569 -12.000 1.00 0.00 C ATOM 814 CD LYS A 58 0.291 9.237 -12.908 1.00 0.00 C ATOM 815 CE LYS A 58 -0.775 8.235 -13.354 1.00 0.00 C ATOM 816 NZ LYS A 58 -1.437 8.700 -14.594 1.00 0.00 N ATOM 0 H LYS A 58 0.405 6.174 -12.073 1.00 0.00 H new ATOM 0 HA LYS A 58 3.234 5.873 -12.928 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.316 8.278 -12.778 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.044 7.762 -13.867 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.824 7.902 -11.300 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.838 9.327 -11.407 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.182 10.065 -12.379 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.787 9.659 -13.782 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.318 7.260 -13.522 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.516 8.108 -12.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.158 8.008 -14.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.890 9.620 -14.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.729 8.798 -15.350 1.00 0.00 H new ATOM 825 N ILE A 59 3.974 5.402 -10.659 1.00 0.00 N ATOM 826 CA ILE A 59 4.553 5.217 -9.339 1.00 0.00 C ATOM 827 C ILE A 59 6.032 4.856 -9.481 1.00 0.00 C ATOM 828 O ILE A 59 6.440 3.747 -9.140 1.00 0.00 O ATOM 829 CB ILE A 59 3.744 4.194 -8.538 1.00 0.00 C ATOM 830 CG1 ILE A 59 2.404 4.783 -8.091 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.556 3.656 -7.358 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.594 3.759 -7.295 1.00 0.00 C ATOM 0 H ILE A 59 4.388 4.824 -11.391 1.00 0.00 H new ATOM 0 HA ILE A 59 4.505 6.145 -8.769 1.00 0.00 H new ATOM 0 HB ILE A 59 3.523 3.348 -9.189 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.578 5.669 -7.480 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.835 5.104 -8.963 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.958 2.931 -6.805 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.460 3.173 -7.729 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.829 4.480 -6.698 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.647 4.203 -6.989 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.401 2.885 -7.917 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.156 3.459 -6.411 1.00 0.00 H new ATOM 843 N PRO A 60 6.817 5.838 -10.000 1.00 0.00 N ATOM 844 CA PRO A 60 8.243 5.635 -10.192 1.00 0.00 C ATOM 845 C PRO A 60 8.989 5.695 -8.858 1.00 0.00 C ATOM 846 O PRO A 60 8.417 6.078 -7.839 1.00 0.00 O ATOM 847 CB PRO A 60 8.669 6.726 -11.161 1.00 0.00 C ATOM 848 CG PRO A 60 7.572 7.777 -11.114 1.00 0.00 C ATOM 849 CD PRO A 60 6.369 7.164 -10.416 1.00 0.00 C ATOM 0 HA PRO A 60 8.477 4.650 -10.595 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.630 7.151 -10.872 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.786 6.329 -12.169 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.914 8.662 -10.578 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.307 8.097 -12.122 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.060 7.764 -9.560 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.512 7.100 -11.087 1.00 0.00 H new ATOM 854 N ASP A 61 10.256 5.310 -8.908 1.00 0.00 N ATOM 855 CA ASP A 61 11.087 5.315 -7.716 1.00 0.00 C ATOM 856 C ASP A 61 10.952 6.667 -7.011 1.00 0.00 C ATOM 857 O ASP A 61 10.856 6.725 -5.786 1.00 0.00 O ATOM 858 CB ASP A 61 12.562 5.113 -8.071 1.00 0.00 C ATOM 859 CG ASP A 61 13.129 3.736 -7.719 1.00 0.00 C ATOM 860 OD1 ASP A 61 13.302 2.874 -8.593 1.00 0.00 O ATOM 861 OD2 ASP A 61 13.400 3.562 -6.470 1.00 0.00 O ATOM 0 H ASP A 61 10.727 4.993 -9.755 1.00 0.00 H new ATOM 0 HA ASP A 61 10.756 4.501 -7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.689 5.279 -9.141 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.151 5.874 -7.559 1.00 0.00 H new ATOM 866 N GLU A 62 10.950 7.720 -7.815 1.00 0.00 N ATOM 867 CA GLU A 62 10.828 9.067 -7.284 1.00 0.00 C ATOM 868 C GLU A 62 9.619 9.162 -6.352 1.00 0.00 C ATOM 869 O GLU A 62 9.543 10.063 -5.517 1.00 0.00 O ATOM 870 CB GLU A 62 10.733 10.095 -8.413 1.00 0.00 C ATOM 871 CG GLU A 62 10.983 11.510 -7.888 1.00 0.00 C ATOM 872 CD GLU A 62 11.753 12.346 -8.913 1.00 0.00 C ATOM 873 OE1 GLU A 62 11.372 13.494 -9.188 1.00 0.00 O ATOM 874 OE2 GLU A 62 12.781 11.764 -9.429 1.00 0.00 O ATOM 0 H GLU A 62 11.031 7.668 -8.830 1.00 0.00 H new ATOM 0 HA GLU A 62 11.725 9.292 -6.707 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.461 9.857 -9.189 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.747 10.043 -8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.032 11.991 -7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.546 11.462 -6.956 1.00 0.00 H new ATOM 880 N ASP A 63 8.702 8.221 -6.525 1.00 0.00 N ATOM 881 CA ASP A 63 7.500 8.189 -5.710 1.00 0.00 C ATOM 882 C ASP A 63 7.522 6.940 -4.827 1.00 0.00 C ATOM 883 O ASP A 63 7.039 6.966 -3.696 1.00 0.00 O ATOM 884 CB ASP A 63 6.244 8.128 -6.582 1.00 0.00 C ATOM 885 CG ASP A 63 5.366 9.380 -6.539 1.00 0.00 C ATOM 886 OD1 ASP A 63 5.731 10.395 -5.927 1.00 0.00 O ATOM 887 OD2 ASP A 63 4.249 9.285 -7.176 1.00 0.00 O ATOM 0 H ASP A 63 8.768 7.475 -7.218 1.00 0.00 H new ATOM 0 HA ASP A 63 7.477 9.097 -5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.545 7.949 -7.614 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.645 7.272 -6.271 1.00 0.00 H new ATOM 892 N LEU A 64 8.088 5.875 -5.376 1.00 0.00 N ATOM 893 CA LEU A 64 8.179 4.618 -4.652 1.00 0.00 C ATOM 894 C LEU A 64 9.005 4.826 -3.381 1.00 0.00 C ATOM 895 O LEU A 64 8.983 3.991 -2.479 1.00 0.00 O ATOM 896 CB LEU A 64 8.719 3.514 -5.562 1.00 0.00 C ATOM 897 CG LEU A 64 8.270 2.090 -5.228 1.00 0.00 C ATOM 898 CD1 LEU A 64 8.951 1.585 -3.954 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.745 2.003 -5.135 1.00 0.00 C ATOM 0 H LEU A 64 8.488 5.857 -6.314 1.00 0.00 H new ATOM 0 HA LEU A 64 7.189 4.286 -4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.421 3.737 -6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.808 3.547 -5.533 1.00 0.00 H new ATOM 0 HG LEU A 64 8.581 1.435 -6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.614 0.571 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.032 1.587 -4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.692 2.237 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.453 0.980 -4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.389 2.674 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.305 2.293 -6.089 1.00 0.00 H new ATOM 910 N ALA A 65 9.714 5.945 -3.351 1.00 0.00 N ATOM 911 CA ALA A 65 10.546 6.273 -2.205 1.00 0.00 C ATOM 912 C ALA A 65 9.666 6.832 -1.085 1.00 0.00 C ATOM 913 O ALA A 65 9.894 6.546 0.089 1.00 0.00 O ATOM 914 CB ALA A 65 11.639 7.255 -2.632 1.00 0.00 C ATOM 0 H ALA A 65 9.730 6.636 -4.101 1.00 0.00 H new ATOM 0 HA ALA A 65 11.041 5.380 -1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.263 7.501 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.254 6.800 -3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.180 8.165 -3.019 1.00 0.00 H new ATOM 920 N GLY A 66 8.679 7.618 -1.488 1.00 0.00 N ATOM 921 CA GLY A 66 7.763 8.219 -0.533 1.00 0.00 C ATOM 922 C GLY A 66 6.708 7.210 -0.075 1.00 0.00 C ATOM 923 O GLY A 66 6.444 7.082 1.120 1.00 0.00 O ATOM 0 H GLY A 66 8.493 7.853 -2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.320 8.585 0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.274 9.081 -0.986 1.00 0.00 H new ATOM 927 N LEU A 67 6.134 6.519 -1.048 1.00 0.00 N ATOM 928 CA LEU A 67 5.114 5.526 -0.760 1.00 0.00 C ATOM 929 C LEU A 67 5.504 4.751 0.500 1.00 0.00 C ATOM 930 O LEU A 67 6.512 4.046 0.512 1.00 0.00 O ATOM 931 CB LEU A 67 4.874 4.634 -1.980 1.00 0.00 C ATOM 932 CG LEU A 67 4.258 5.321 -3.201 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.761 4.290 -4.217 1.00 0.00 C ATOM 934 CD2 LEU A 67 3.154 6.294 -2.785 1.00 0.00 C ATOM 0 H LEU A 67 6.356 6.627 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 67 4.159 6.010 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.826 4.194 -2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.222 3.813 -1.682 1.00 0.00 H new ATOM 0 HG LEU A 67 5.035 5.908 -3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.328 4.804 -5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.596 3.673 -4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.004 3.658 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.734 6.768 -3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.370 5.751 -2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.571 7.058 -2.128 1.00 0.00 H new ATOM 945 N ARG A 68 4.686 4.908 1.530 1.00 0.00 N ATOM 946 CA ARG A 68 4.933 4.232 2.792 1.00 0.00 C ATOM 947 C ARG A 68 3.904 3.121 3.010 1.00 0.00 C ATOM 948 O ARG A 68 4.245 2.039 3.487 1.00 0.00 O ATOM 949 CB ARG A 68 4.869 5.213 3.964 1.00 0.00 C ATOM 950 CG ARG A 68 6.246 5.388 4.608 1.00 0.00 C ATOM 951 CD ARG A 68 6.190 5.097 6.110 1.00 0.00 C ATOM 952 NE ARG A 68 6.635 3.710 6.373 1.00 0.00 N ATOM 953 CZ ARG A 68 6.970 3.242 7.594 1.00 0.00 C ATOM 954 NH1 ARG A 68 6.915 4.048 8.676 1.00 0.00 N ATOM 955 NH2 ARG A 68 7.354 1.985 7.714 1.00 0.00 N ATOM 0 H ARG A 68 3.851 5.494 1.516 1.00 0.00 H new ATOM 0 HA ARG A 68 5.933 3.802 2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.501 6.178 3.615 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.159 4.851 4.708 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.962 4.719 4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.602 6.405 4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.825 5.800 6.649 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.174 5.238 6.479 1.00 0.00 H new ATOM 0 HE ARG A 68 6.692 3.068 5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.619 5.019 8.574 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.170 3.686 9.595 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.394 1.383 6.891 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.611 1.615 8.629 1.00 0.00 H new ATOM 964 N THR A 69 2.666 3.425 2.649 1.00 0.00 N ATOM 965 CA THR A 69 1.586 2.466 2.799 1.00 0.00 C ATOM 966 C THR A 69 0.736 2.416 1.527 1.00 0.00 C ATOM 967 O THR A 69 0.961 3.188 0.596 1.00 0.00 O ATOM 968 CB THR A 69 0.787 2.844 4.048 1.00 0.00 C ATOM 969 OG1 THR A 69 0.469 4.219 3.854 1.00 0.00 O ATOM 970 CG2 THR A 69 1.644 2.835 5.316 1.00 0.00 C ATOM 0 H THR A 69 2.387 4.323 2.253 1.00 0.00 H new ATOM 0 HA THR A 69 1.971 1.456 2.935 1.00 0.00 H new ATOM 0 HB THR A 69 -0.047 2.152 4.168 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.051 4.545 4.618 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.029 3.110 6.173 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.055 1.837 5.470 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.459 3.551 5.210 1.00 0.00 H new ATOM 978 N VAL A 70 -0.222 1.501 1.529 1.00 0.00 N ATOM 979 CA VAL A 70 -1.106 1.341 0.387 1.00 0.00 C ATOM 980 C VAL A 70 -1.811 2.669 0.103 1.00 0.00 C ATOM 981 O VAL A 70 -1.833 3.133 -1.036 1.00 0.00 O ATOM 982 CB VAL A 70 -2.080 0.188 0.637 1.00 0.00 C ATOM 983 CG1 VAL A 70 -2.777 -0.232 -0.659 1.00 0.00 C ATOM 984 CG2 VAL A 70 -1.368 -1.000 1.287 1.00 0.00 C ATOM 0 H VAL A 70 -0.405 0.863 2.303 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.535 1.079 -0.504 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.845 0.540 1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.464 -1.053 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.333 0.614 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.031 -0.556 -1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.083 -1.806 1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.572 -1.351 0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.941 -0.691 2.241 1.00 0.00 H new ATOM 994 N GLY A 71 -2.370 3.243 1.158 1.00 0.00 N ATOM 995 CA GLY A 71 -3.074 4.508 1.037 1.00 0.00 C ATOM 996 C GLY A 71 -2.224 5.539 0.292 1.00 0.00 C ATOM 997 O GLY A 71 -2.749 6.336 -0.484 1.00 0.00 O ATOM 0 H GLY A 71 -2.350 2.855 2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.014 4.356 0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.324 4.886 2.029 1.00 0.00 H new ATOM 1001 N ASP A 72 -0.927 5.489 0.553 1.00 0.00 N ATOM 1002 CA ASP A 72 0.001 6.409 -0.083 1.00 0.00 C ATOM 1003 C ASP A 72 0.324 5.908 -1.492 1.00 0.00 C ATOM 1004 O ASP A 72 0.500 6.704 -2.413 1.00 0.00 O ATOM 1005 CB ASP A 72 1.313 6.498 0.699 1.00 0.00 C ATOM 1006 CG ASP A 72 1.994 7.868 0.665 1.00 0.00 C ATOM 1007 OD1 ASP A 72 3.147 7.997 0.228 1.00 0.00 O ATOM 1008 OD2 ASP A 72 1.281 8.842 1.119 1.00 0.00 O ATOM 0 H ASP A 72 -0.496 4.826 1.197 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.468 7.393 -0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.118 6.231 1.738 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.005 5.755 0.304 1.00 0.00 H new ATOM 1013 N VAL A 73 0.391 4.590 -1.616 1.00 0.00 N ATOM 1014 CA VAL A 73 0.690 3.973 -2.897 1.00 0.00 C ATOM 1015 C VAL A 73 -0.520 4.118 -3.822 1.00 0.00 C ATOM 1016 O VAL A 73 -0.405 3.938 -5.034 1.00 0.00 O ATOM 1017 CB VAL A 73 1.113 2.517 -2.691 1.00 0.00 C ATOM 1018 CG1 VAL A 73 1.500 1.865 -4.019 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.255 2.417 -1.677 1.00 0.00 C ATOM 0 H VAL A 73 0.243 3.933 -0.850 1.00 0.00 H new ATOM 0 HA VAL A 73 1.529 4.477 -3.377 1.00 0.00 H new ATOM 0 HB VAL A 73 0.258 1.973 -2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.796 0.831 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.647 1.888 -4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.332 2.411 -4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.537 1.372 -1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.114 2.983 -2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.929 2.825 -0.720 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.653 4.443 -3.217 1.00 0.00 N ATOM 1030 CA VAL A 74 -2.882 4.615 -3.971 1.00 0.00 C ATOM 1031 C VAL A 74 -3.062 6.095 -4.316 1.00 0.00 C ATOM 1032 O VAL A 74 -3.204 6.451 -5.485 1.00 0.00 O ATOM 1033 CB VAL A 74 -4.062 4.036 -3.188 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.386 4.325 -3.898 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -3.882 2.535 -2.954 1.00 0.00 C ATOM 0 H VAL A 74 -1.745 4.592 -2.212 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.832 4.066 -4.911 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.090 4.526 -2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.208 3.903 -3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.522 5.403 -3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.372 3.876 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.735 2.149 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.815 2.023 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.968 2.362 -2.386 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.049 6.917 -3.277 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.209 8.350 -3.455 1.00 0.00 C ATOM 1047 C ALA A 75 -2.313 8.820 -4.603 1.00 0.00 C ATOM 1048 O ALA A 75 -2.789 9.436 -5.555 1.00 0.00 O ATOM 1049 CB ALA A 75 -2.896 9.067 -2.140 1.00 0.00 C ATOM 0 H ALA A 75 -2.930 6.618 -2.309 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.239 8.591 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.016 10.142 -2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.579 8.720 -1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.870 8.851 -1.843 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.031 8.512 -4.474 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.063 8.894 -5.489 1.00 0.00 C ATOM 1057 C TYR A 76 -0.621 8.661 -6.894 1.00 0.00 C ATOM 1058 O TYR A 76 -0.227 9.337 -7.843 1.00 0.00 O ATOM 1059 CB TYR A 76 1.150 7.988 -5.278 1.00 0.00 C ATOM 1060 CG TYR A 76 2.263 8.622 -4.441 1.00 0.00 C ATOM 1061 CD1 TYR A 76 1.946 9.484 -3.411 1.00 0.00 C ATOM 1062 CD2 TYR A 76 3.584 8.333 -4.717 1.00 0.00 C ATOM 1063 CE1 TYR A 76 2.994 10.081 -2.624 1.00 0.00 C ATOM 1064 CE2 TYR A 76 4.632 8.930 -3.930 1.00 0.00 C ATOM 1065 CZ TYR A 76 4.285 9.775 -2.922 1.00 0.00 C ATOM 1066 OH TYR A 76 5.274 10.339 -2.178 1.00 0.00 O ATOM 0 H TYR A 76 -0.640 8.002 -3.682 1.00 0.00 H new ATOM 0 HA TYR A 76 0.186 9.952 -5.403 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.823 7.068 -4.792 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.555 7.708 -6.250 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.912 9.711 -3.195 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.832 7.659 -5.524 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.760 10.757 -1.815 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.670 8.712 -4.135 1.00 0.00 H new ATOM 0 HH TYR A 76 4.946 10.504 -1.269 1.00 0.00 H new ATOM 1075 N ILE A 77 -1.530 7.701 -6.984 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.146 7.370 -8.257 1.00 0.00 C ATOM 1077 C ILE A 77 -3.336 8.300 -8.500 1.00 0.00 C ATOM 1078 O ILE A 77 -3.248 9.231 -9.299 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.507 5.884 -8.307 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.465 5.041 -7.569 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -2.703 5.416 -9.751 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -1.749 3.547 -7.736 1.00 0.00 C ATOM 0 H ILE A 77 -1.855 7.142 -6.195 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.443 7.531 -9.074 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.457 5.746 -7.791 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.470 5.270 -7.951 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.467 5.299 -6.510 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.959 4.356 -9.759 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.509 5.987 -10.212 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.781 5.571 -10.312 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.993 2.971 -7.202 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.734 3.317 -7.331 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.722 3.288 -8.794 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.422 8.015 -7.797 1.00 0.00 N ATOM 1094 CA GLN A 78 -5.629 8.814 -7.926 1.00 0.00 C ATOM 1095 C GLN A 78 -5.294 10.303 -7.813 1.00 0.00 C ATOM 1096 O GLN A 78 -5.638 11.089 -8.694 1.00 0.00 O ATOM 1097 CB GLN A 78 -6.672 8.406 -6.884 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.081 6.943 -7.062 1.00 0.00 C ATOM 1099 CD GLN A 78 -7.563 6.343 -5.739 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -7.724 7.025 -4.741 1.00 0.00 O ATOM 1101 NE2 GLN A 78 -7.784 5.032 -5.788 1.00 0.00 N ATOM 0 H GLN A 78 -4.491 7.241 -7.136 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.058 8.631 -8.911 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.269 8.555 -5.882 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.550 9.046 -6.973 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.873 6.871 -7.808 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.235 6.368 -7.439 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.629 4.521 -6.657 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.108 4.538 -4.957 1.00 0.00 H new ATOM 1108 N LYS A 79 -4.626 10.645 -6.720 1.00 0.00 N ATOM 1109 CA LYS A 79 -4.241 12.025 -6.480 1.00 0.00 C ATOM 1110 C LYS A 79 -3.676 12.624 -7.770 1.00 0.00 C ATOM 1111 O LYS A 79 -4.028 13.740 -8.147 1.00 0.00 O ATOM 1112 CB LYS A 79 -3.285 12.115 -5.289 1.00 0.00 C ATOM 1113 CG LYS A 79 -3.920 11.522 -4.030 1.00 0.00 C ATOM 1114 CD LYS A 79 -5.228 12.238 -3.687 1.00 0.00 C ATOM 1115 CE LYS A 79 -5.813 11.712 -2.375 1.00 0.00 C ATOM 1116 NZ LYS A 79 -6.944 10.796 -2.641 1.00 0.00 N ATOM 0 H LYS A 79 -4.342 9.990 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.111 12.621 -6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.361 11.584 -5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.018 13.157 -5.110 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.111 10.460 -4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.225 11.605 -3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.049 13.310 -3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.947 12.095 -4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.041 11.191 -1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.150 12.546 -1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.329 10.449 -1.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.687 11.304 -3.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.612 9.991 -3.209 1.00 0.00 H new