USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 543 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 2 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 3 HIS : no HD1:sc= -2.32 K(o=-2.3,f=-3.4!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0329 X(o=-0.033,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.633 USER MOD Single : A 65 HIS : no HD1:sc= -0.321 K(o=-0.32,f=-1.2) USER MOD Single : A 68 SER OG : rot -54:sc= 0.284 USER MOD Single : A 71 SER OG : rot 155:sc= -0.246 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0167 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 10.298 -5.558 1.713 1.00 0.00 N ATOM 21 CA GLN A 2 10.263 -6.238 0.390 1.00 0.00 C ATOM 22 C GLN A 2 9.142 -5.625 -0.452 1.00 0.00 C ATOM 23 O GLN A 2 8.008 -5.542 -0.025 1.00 0.00 O ATOM 24 CB GLN A 2 9.998 -7.732 0.587 1.00 0.00 C ATOM 25 CG GLN A 2 11.144 -8.352 1.387 1.00 0.00 C ATOM 26 CD GLN A 2 10.870 -9.842 1.604 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.756 -10.297 1.436 1.00 0.00 O ATOM 28 NE2 GLN A 2 11.847 -10.625 1.972 1.00 0.00 N ATOM 0 HA GLN A 2 11.219 -6.109 -0.117 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.054 -7.879 1.111 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.906 -8.227 -0.380 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.086 -8.219 0.855 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.246 -7.847 2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.782 -10.242 2.113 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.676 -11.620 2.119 1.00 0.00 H new ATOM 37 N HIS A 3 9.447 -5.191 -1.643 1.00 0.00 N ATOM 38 CA HIS A 3 8.394 -4.580 -2.501 1.00 0.00 C ATOM 39 C HIS A 3 7.847 -3.330 -1.810 1.00 0.00 C ATOM 40 O HIS A 3 6.764 -2.868 -2.106 1.00 0.00 O ATOM 41 CB HIS A 3 7.256 -5.583 -2.699 1.00 0.00 C ATOM 42 CG HIS A 3 7.824 -6.968 -2.823 1.00 0.00 C ATOM 43 ND1 HIS A 3 7.771 -7.885 -1.782 1.00 0.00 N ATOM 44 CD2 HIS A 3 8.465 -7.608 -3.854 1.00 0.00 C ATOM 45 CE1 HIS A 3 8.364 -9.017 -2.208 1.00 0.00 C ATOM 46 NE2 HIS A 3 8.803 -8.898 -3.462 1.00 0.00 N ATOM 0 H HIS A 3 10.378 -5.233 -2.059 1.00 0.00 H new ATOM 0 HA HIS A 3 8.819 -4.312 -3.468 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.565 -5.536 -1.857 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.686 -5.331 -3.593 1.00 0.00 H new ATOM 0 HD2 HIS A 3 8.675 -7.176 -4.821 1.00 0.00 H new ATOM 0 HE1 HIS A 3 8.471 -9.909 -1.609 1.00 0.00 H new ATOM 0 HE2 HIS A 3 9.285 -9.605 -4.017 1.00 0.00 H new ATOM 55 N ALA A 4 8.589 -2.781 -0.885 1.00 0.00 N ATOM 56 CA ALA A 4 8.110 -1.564 -0.168 1.00 0.00 C ATOM 57 C ALA A 4 7.960 -0.405 -1.155 1.00 0.00 C ATOM 58 O ALA A 4 7.045 0.387 -1.062 1.00 0.00 O ATOM 59 CB ALA A 4 9.125 -1.181 0.911 1.00 0.00 C ATOM 0 H ALA A 4 9.505 -3.123 -0.595 1.00 0.00 H new ATOM 0 HA ALA A 4 7.144 -1.773 0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.778 -0.292 1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.231 -2.003 1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.089 -0.975 0.447 1.00 0.00 H new ATOM 65 N SER A 5 8.857 -0.293 -2.097 1.00 0.00 N ATOM 66 CA SER A 5 8.769 0.821 -3.081 1.00 0.00 C ATOM 67 C SER A 5 7.458 0.728 -3.863 1.00 0.00 C ATOM 68 O SER A 5 6.824 1.723 -4.152 1.00 0.00 O ATOM 69 CB SER A 5 9.948 0.735 -4.052 1.00 0.00 C ATOM 70 OG SER A 5 11.163 0.714 -3.315 1.00 0.00 O ATOM 0 H SER A 5 9.647 -0.925 -2.227 1.00 0.00 H new ATOM 0 HA SER A 5 8.799 1.771 -2.548 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.865 -0.163 -4.664 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.937 1.587 -4.732 1.00 0.00 H new ATOM 0 HG SER A 5 11.920 0.657 -3.934 1.00 0.00 H new ATOM 76 N VAL A 6 7.044 -0.458 -4.209 1.00 0.00 N ATOM 77 CA VAL A 6 5.773 -0.607 -4.973 1.00 0.00 C ATOM 78 C VAL A 6 4.601 -0.146 -4.110 1.00 0.00 C ATOM 79 O VAL A 6 3.666 0.458 -4.591 1.00 0.00 O ATOM 80 CB VAL A 6 5.574 -2.070 -5.362 1.00 0.00 C ATOM 81 CG1 VAL A 6 4.184 -2.253 -5.978 1.00 0.00 C ATOM 82 CG2 VAL A 6 6.641 -2.475 -6.383 1.00 0.00 C ATOM 0 H VAL A 6 7.529 -1.330 -3.997 1.00 0.00 H new ATOM 0 HA VAL A 6 5.823 0.003 -5.875 1.00 0.00 H new ATOM 0 HB VAL A 6 5.662 -2.696 -4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.044 -3.298 -6.255 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.424 -1.965 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.094 -1.627 -6.866 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.500 -3.519 -6.662 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.553 -1.848 -7.270 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.631 -2.347 -5.945 1.00 0.00 H new ATOM 92 N ILE A 7 4.639 -0.432 -2.841 1.00 0.00 N ATOM 93 CA ILE A 7 3.520 -0.015 -1.953 1.00 0.00 C ATOM 94 C ILE A 7 3.377 1.507 -1.987 1.00 0.00 C ATOM 95 O ILE A 7 2.304 2.033 -2.205 1.00 0.00 O ATOM 96 CB ILE A 7 3.822 -0.463 -0.524 1.00 0.00 C ATOM 97 CG1 ILE A 7 3.996 -1.983 -0.501 1.00 0.00 C ATOM 98 CG2 ILE A 7 2.661 -0.068 0.392 1.00 0.00 C ATOM 99 CD1 ILE A 7 4.484 -2.427 0.879 1.00 0.00 C ATOM 0 H ILE A 7 5.396 -0.936 -2.379 1.00 0.00 H new ATOM 0 HA ILE A 7 2.592 -0.472 -2.296 1.00 0.00 H new ATOM 0 HB ILE A 7 4.736 0.017 -0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.050 -2.470 -0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.711 -2.288 -1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.877 -0.388 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.533 1.014 0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.746 -0.549 0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.606 -3.510 0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.440 -1.951 1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.754 -2.136 1.634 1.00 0.00 H new ATOM 111 N ALA A 8 4.451 2.217 -1.782 1.00 0.00 N ATOM 112 CA ALA A 8 4.375 3.705 -1.813 1.00 0.00 C ATOM 113 C ALA A 8 3.987 4.157 -3.218 1.00 0.00 C ATOM 114 O ALA A 8 3.123 4.989 -3.403 1.00 0.00 O ATOM 115 CB ALA A 8 5.739 4.294 -1.444 1.00 0.00 C ATOM 0 H ALA A 8 5.377 1.833 -1.595 1.00 0.00 H new ATOM 0 HA ALA A 8 3.628 4.050 -1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.684 5.382 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.018 3.966 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.488 3.954 -2.159 1.00 0.00 H new ATOM 121 N GLN A 9 4.621 3.605 -4.212 1.00 0.00 N ATOM 122 CA GLN A 9 4.297 3.986 -5.614 1.00 0.00 C ATOM 123 C GLN A 9 2.859 3.577 -5.939 1.00 0.00 C ATOM 124 O GLN A 9 2.134 4.284 -6.610 1.00 0.00 O ATOM 125 CB GLN A 9 5.257 3.259 -6.558 1.00 0.00 C ATOM 126 CG GLN A 9 4.985 3.682 -8.002 1.00 0.00 C ATOM 127 CD GLN A 9 4.831 2.436 -8.873 1.00 0.00 C ATOM 128 OE1 GLN A 9 5.647 2.177 -9.736 1.00 0.00 O ATOM 129 NE2 GLN A 9 3.810 1.646 -8.681 1.00 0.00 N ATOM 0 H GLN A 9 5.354 2.902 -4.114 1.00 0.00 H new ATOM 0 HA GLN A 9 4.399 5.064 -5.736 1.00 0.00 H new ATOM 0 HB2 GLN A 9 6.288 3.489 -6.290 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.134 2.181 -6.456 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.080 4.288 -8.051 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.803 4.300 -8.372 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.126 1.864 -7.957 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.696 0.811 -9.255 1.00 0.00 H new ATOM 138 N PHE A 10 2.452 2.429 -5.480 1.00 0.00 N ATOM 139 CA PHE A 10 1.073 1.945 -5.766 1.00 0.00 C ATOM 140 C PHE A 10 0.038 2.849 -5.094 1.00 0.00 C ATOM 141 O PHE A 10 -0.898 3.308 -5.719 1.00 0.00 O ATOM 142 CB PHE A 10 0.931 0.518 -5.230 1.00 0.00 C ATOM 143 CG PHE A 10 -0.410 -0.047 -5.623 1.00 0.00 C ATOM 144 CD1 PHE A 10 -1.485 0.017 -4.730 1.00 0.00 C ATOM 145 CD2 PHE A 10 -0.577 -0.642 -6.879 1.00 0.00 C ATOM 146 CE1 PHE A 10 -2.728 -0.516 -5.093 1.00 0.00 C ATOM 147 CE2 PHE A 10 -1.819 -1.173 -7.242 1.00 0.00 C ATOM 148 CZ PHE A 10 -2.895 -1.110 -6.349 1.00 0.00 C ATOM 0 H PHE A 10 3.020 1.799 -4.914 1.00 0.00 H new ATOM 0 HA PHE A 10 0.901 1.963 -6.842 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.730 -0.109 -5.626 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.032 0.516 -4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.356 0.477 -3.761 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.253 -0.691 -7.568 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.558 -0.469 -4.404 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.948 -1.632 -8.211 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.854 -1.520 -6.629 1.00 0.00 H new ATOM 158 N VAL A 11 0.191 3.100 -3.825 1.00 0.00 N ATOM 159 CA VAL A 11 -0.792 3.964 -3.113 1.00 0.00 C ATOM 160 C VAL A 11 -0.599 5.429 -3.510 1.00 0.00 C ATOM 161 O VAL A 11 -1.552 6.167 -3.672 1.00 0.00 O ATOM 162 CB VAL A 11 -0.592 3.815 -1.605 1.00 0.00 C ATOM 163 CG1 VAL A 11 -0.742 2.345 -1.213 1.00 0.00 C ATOM 164 CG2 VAL A 11 0.806 4.303 -1.223 1.00 0.00 C ATOM 0 H VAL A 11 0.954 2.745 -3.249 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.801 3.656 -3.387 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.340 4.410 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.599 2.239 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.739 1.996 -1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.005 1.750 -1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.947 4.196 -0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.555 3.710 -1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.914 5.351 -1.501 1.00 0.00 H new ATOM 174 N VAL A 12 0.621 5.863 -3.660 1.00 0.00 N ATOM 175 CA VAL A 12 0.865 7.283 -4.035 1.00 0.00 C ATOM 176 C VAL A 12 0.314 7.550 -5.436 1.00 0.00 C ATOM 177 O VAL A 12 -0.242 8.596 -5.703 1.00 0.00 O ATOM 178 CB VAL A 12 2.365 7.567 -4.013 1.00 0.00 C ATOM 179 CG1 VAL A 12 2.623 8.999 -4.483 1.00 0.00 C ATOM 180 CG2 VAL A 12 2.893 7.398 -2.586 1.00 0.00 C ATOM 0 H VAL A 12 1.460 5.295 -3.539 1.00 0.00 H new ATOM 0 HA VAL A 12 0.362 7.935 -3.321 1.00 0.00 H new ATOM 0 HB VAL A 12 2.875 6.870 -4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.694 9.200 -4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.246 9.122 -5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.113 9.697 -3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.964 7.600 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.381 8.096 -1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.711 6.377 -2.249 1.00 0.00 H new ATOM 190 N GLU A 13 0.466 6.615 -6.332 1.00 0.00 N ATOM 191 CA GLU A 13 -0.041 6.819 -7.720 1.00 0.00 C ATOM 192 C GLU A 13 -1.516 7.219 -7.679 1.00 0.00 C ATOM 193 O GLU A 13 -1.976 8.013 -8.476 1.00 0.00 O ATOM 194 CB GLU A 13 0.111 5.521 -8.512 1.00 0.00 C ATOM 195 CG GLU A 13 -0.287 5.760 -9.967 1.00 0.00 C ATOM 196 CD GLU A 13 -0.235 4.438 -10.735 1.00 0.00 C ATOM 197 OE1 GLU A 13 0.077 3.432 -10.122 1.00 0.00 O ATOM 198 OE2 GLU A 13 -0.508 4.456 -11.924 1.00 0.00 O ATOM 0 H GLU A 13 0.920 5.717 -6.164 1.00 0.00 H new ATOM 0 HA GLU A 13 0.534 7.611 -8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.141 5.169 -8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.515 4.742 -8.076 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.291 6.182 -10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.386 6.485 -10.425 1.00 0.00 H new ATOM 205 N GLU A 14 -2.261 6.676 -6.759 1.00 0.00 N ATOM 206 CA GLU A 14 -3.706 7.023 -6.670 1.00 0.00 C ATOM 207 C GLU A 14 -3.866 8.491 -6.264 1.00 0.00 C ATOM 208 O GLU A 14 -4.812 9.149 -6.651 1.00 0.00 O ATOM 209 CB GLU A 14 -4.379 6.128 -5.628 1.00 0.00 C ATOM 210 CG GLU A 14 -4.348 4.674 -6.106 1.00 0.00 C ATOM 211 CD GLU A 14 -5.073 3.787 -5.093 1.00 0.00 C ATOM 212 OE1 GLU A 14 -5.289 2.626 -5.399 1.00 0.00 O ATOM 213 OE2 GLU A 14 -5.402 4.285 -4.027 1.00 0.00 O ATOM 0 H GLU A 14 -1.932 6.006 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.174 6.869 -7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.866 6.218 -4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.409 6.448 -5.469 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.824 4.591 -7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.317 4.341 -6.224 1.00 0.00 H new ATOM 220 N PHE A 15 -2.955 9.008 -5.482 1.00 0.00 N ATOM 221 CA PHE A 15 -3.068 10.432 -5.047 1.00 0.00 C ATOM 222 C PHE A 15 -1.717 11.138 -5.204 1.00 0.00 C ATOM 223 O PHE A 15 -1.320 11.922 -4.365 1.00 0.00 O ATOM 224 CB PHE A 15 -3.487 10.481 -3.576 1.00 0.00 C ATOM 225 CG PHE A 15 -4.172 9.190 -3.204 1.00 0.00 C ATOM 226 CD1 PHE A 15 -5.542 9.030 -3.438 1.00 0.00 C ATOM 227 CD2 PHE A 15 -3.434 8.151 -2.623 1.00 0.00 C ATOM 228 CE1 PHE A 15 -6.175 7.830 -3.091 1.00 0.00 C ATOM 229 CE2 PHE A 15 -4.066 6.952 -2.276 1.00 0.00 C ATOM 230 CZ PHE A 15 -5.438 6.792 -2.511 1.00 0.00 C ATOM 0 H PHE A 15 -2.140 8.508 -5.127 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.812 10.934 -5.665 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.613 10.637 -2.943 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.158 11.323 -3.406 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -6.111 9.831 -3.886 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.376 8.275 -2.443 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.233 7.706 -3.271 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.497 6.151 -1.828 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.927 5.867 -2.244 1.00 0.00 H new ATOM 240 N LEU A 16 -1.001 10.868 -6.263 1.00 0.00 N ATOM 241 CA LEU A 16 0.320 11.532 -6.444 1.00 0.00 C ATOM 242 C LEU A 16 0.124 12.950 -7.003 1.00 0.00 C ATOM 243 O LEU A 16 -0.565 13.141 -7.983 1.00 0.00 O ATOM 244 CB LEU A 16 1.199 10.694 -7.396 1.00 0.00 C ATOM 245 CG LEU A 16 1.124 11.191 -8.853 1.00 0.00 C ATOM 246 CD1 LEU A 16 2.051 10.335 -9.716 1.00 0.00 C ATOM 247 CD2 LEU A 16 -0.306 11.060 -9.388 1.00 0.00 C ATOM 0 H LEU A 16 -1.272 10.222 -7.004 1.00 0.00 H new ATOM 0 HA LEU A 16 0.820 11.606 -5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.234 10.729 -7.056 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.884 9.651 -7.354 1.00 0.00 H new ATOM 0 HG LEU A 16 1.425 12.238 -8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.006 10.678 -10.750 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.074 10.423 -9.349 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.736 9.293 -9.666 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.343 11.415 -10.418 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.613 10.015 -9.353 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.980 11.657 -8.774 1.00 0.00 H new ATOM 301 N ALA A 20 6.739 12.940 -8.465 1.00 0.00 N ATOM 302 CA ALA A 20 6.757 11.463 -8.668 1.00 0.00 C ATOM 303 C ALA A 20 6.962 10.765 -7.311 1.00 0.00 C ATOM 304 O ALA A 20 7.727 11.232 -6.491 1.00 0.00 O ATOM 305 CB ALA A 20 7.911 11.096 -9.604 1.00 0.00 C ATOM 0 HA ALA A 20 5.812 11.142 -9.106 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.928 10.017 -9.755 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.774 11.595 -10.564 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.854 11.415 -9.161 1.00 0.00 H new ATOM 311 N PRO A 21 6.302 9.651 -7.069 1.00 0.00 N ATOM 312 CA PRO A 21 6.453 8.907 -5.783 1.00 0.00 C ATOM 313 C PRO A 21 7.924 8.680 -5.419 1.00 0.00 C ATOM 314 O PRO A 21 8.285 8.611 -4.260 1.00 0.00 O ATOM 315 CB PRO A 21 5.774 7.562 -6.042 1.00 0.00 C ATOM 316 CG PRO A 21 4.839 7.779 -7.186 1.00 0.00 C ATOM 317 CD PRO A 21 5.344 8.989 -7.974 1.00 0.00 C ATOM 0 HA PRO A 21 6.018 9.462 -4.952 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.510 6.794 -6.281 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.235 7.222 -5.158 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.802 6.895 -7.823 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.826 7.954 -6.824 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.824 8.684 -8.904 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.525 9.657 -8.242 1.00 0.00 H new ATOM 325 N ALA A 22 8.774 8.563 -6.402 1.00 0.00 N ATOM 326 CA ALA A 22 10.221 8.339 -6.121 1.00 0.00 C ATOM 327 C ALA A 22 10.802 9.562 -5.411 1.00 0.00 C ATOM 328 O ALA A 22 11.804 9.480 -4.728 1.00 0.00 O ATOM 329 CB ALA A 22 10.964 8.113 -7.438 1.00 0.00 C ATOM 0 H ALA A 22 8.528 8.613 -7.391 1.00 0.00 H new ATOM 0 HA ALA A 22 10.335 7.463 -5.482 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.022 7.949 -7.235 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.552 7.240 -7.943 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.848 8.989 -8.076 1.00 0.00 H new ATOM 335 N ASP A 23 10.180 10.696 -5.568 1.00 0.00 N ATOM 336 CA ASP A 23 10.690 11.928 -4.906 1.00 0.00 C ATOM 337 C ASP A 23 9.938 12.139 -3.594 1.00 0.00 C ATOM 338 O ASP A 23 10.089 13.146 -2.931 1.00 0.00 O ATOM 339 CB ASP A 23 10.470 13.132 -5.824 1.00 0.00 C ATOM 340 CG ASP A 23 11.365 13.002 -7.058 1.00 0.00 C ATOM 341 OD1 ASP A 23 12.244 12.156 -7.042 1.00 0.00 O ATOM 342 OD2 ASP A 23 11.157 13.752 -7.998 1.00 0.00 O ATOM 0 H ASP A 23 9.337 10.823 -6.128 1.00 0.00 H new ATOM 0 HA ASP A 23 11.756 11.822 -4.704 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.424 13.187 -6.125 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.698 14.055 -5.292 1.00 0.00 H new ATOM 347 N VAL A 24 9.130 11.189 -3.213 1.00 0.00 N ATOM 348 CA VAL A 24 8.370 11.322 -1.943 1.00 0.00 C ATOM 349 C VAL A 24 9.044 10.465 -0.875 1.00 0.00 C ATOM 350 O VAL A 24 9.444 9.346 -1.127 1.00 0.00 O ATOM 351 CB VAL A 24 6.932 10.842 -2.152 1.00 0.00 C ATOM 352 CG1 VAL A 24 6.128 11.061 -0.870 1.00 0.00 C ATOM 353 CG2 VAL A 24 6.292 11.633 -3.296 1.00 0.00 C ATOM 0 H VAL A 24 8.964 10.325 -3.729 1.00 0.00 H new ATOM 0 HA VAL A 24 8.356 12.365 -1.628 1.00 0.00 H new ATOM 0 HB VAL A 24 6.937 9.781 -2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.104 10.719 -1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.583 10.499 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.123 12.122 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.268 11.292 -3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.288 12.694 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.864 11.477 -4.211 1.00 0.00 H new ATOM 363 N ASP A 25 9.188 10.981 0.312 1.00 0.00 N ATOM 364 CA ASP A 25 9.852 10.191 1.383 1.00 0.00 C ATOM 365 C ASP A 25 8.955 9.022 1.789 1.00 0.00 C ATOM 366 O ASP A 25 8.141 9.133 2.685 1.00 0.00 O ATOM 367 CB ASP A 25 10.102 11.088 2.596 1.00 0.00 C ATOM 368 CG ASP A 25 11.132 12.160 2.235 1.00 0.00 C ATOM 369 OD1 ASP A 25 11.279 13.096 3.004 1.00 0.00 O ATOM 370 OD2 ASP A 25 11.758 12.026 1.196 1.00 0.00 O ATOM 0 H ASP A 25 8.876 11.912 0.586 1.00 0.00 H new ATOM 0 HA ASP A 25 10.802 9.806 1.013 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.170 11.556 2.913 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.461 10.492 3.435 1.00 0.00 H new ATOM 375 N VAL A 26 9.100 7.897 1.140 1.00 0.00 N ATOM 376 CA VAL A 26 8.257 6.721 1.499 1.00 0.00 C ATOM 377 C VAL A 26 8.504 6.355 2.964 1.00 0.00 C ATOM 378 O VAL A 26 7.920 5.428 3.491 1.00 0.00 O ATOM 379 CB VAL A 26 8.626 5.535 0.606 1.00 0.00 C ATOM 380 CG1 VAL A 26 8.486 5.937 -0.864 1.00 0.00 C ATOM 381 CG2 VAL A 26 10.072 5.120 0.885 1.00 0.00 C ATOM 0 H VAL A 26 9.763 7.743 0.380 1.00 0.00 H new ATOM 0 HA VAL A 26 7.205 6.966 1.355 1.00 0.00 H new ATOM 0 HB VAL A 26 7.959 4.700 0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.749 5.091 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.456 6.234 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.153 6.773 -1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.337 4.275 0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.738 5.956 0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.173 4.833 1.932 1.00 0.00 H new ATOM 391 N ASP A 27 9.358 7.085 3.628 1.00 0.00 N ATOM 392 CA ASP A 27 9.637 6.793 5.062 1.00 0.00 C ATOM 393 C ASP A 27 8.697 7.634 5.928 1.00 0.00 C ATOM 394 O ASP A 27 8.824 7.692 7.135 1.00 0.00 O ATOM 395 CB ASP A 27 11.089 7.150 5.386 1.00 0.00 C ATOM 396 CG ASP A 27 12.027 6.209 4.626 1.00 0.00 C ATOM 397 OD1 ASP A 27 11.545 5.216 4.108 1.00 0.00 O ATOM 398 OD2 ASP A 27 13.211 6.499 4.576 1.00 0.00 O ATOM 0 H ASP A 27 9.875 7.873 3.238 1.00 0.00 H new ATOM 0 HA ASP A 27 9.477 5.733 5.262 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.291 8.185 5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.264 7.068 6.459 1.00 0.00 H new ATOM 403 N LEU A 28 7.753 8.290 5.311 1.00 0.00 N ATOM 404 CA LEU A 28 6.794 9.137 6.075 1.00 0.00 C ATOM 405 C LEU A 28 5.577 8.304 6.461 1.00 0.00 C ATOM 406 O LEU A 28 5.072 7.525 5.679 1.00 0.00 O ATOM 407 CB LEU A 28 6.338 10.304 5.198 1.00 0.00 C ATOM 408 CG LEU A 28 5.443 11.249 6.007 1.00 0.00 C ATOM 409 CD1 LEU A 28 6.255 12.465 6.452 1.00 0.00 C ATOM 410 CD2 LEU A 28 4.268 11.704 5.138 1.00 0.00 C ATOM 0 H LEU A 28 7.604 8.275 4.302 1.00 0.00 H new ATOM 0 HA LEU A 28 7.282 9.516 6.973 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.205 10.846 4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.794 9.928 4.331 1.00 0.00 H new ATOM 0 HG LEU A 28 5.063 10.729 6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.618 13.137 7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.090 12.138 7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.636 12.989 5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.630 12.376 5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.646 12.225 4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.690 10.835 4.824 1.00 0.00 H new ATOM 422 N ASP A 29 5.088 8.473 7.658 1.00 0.00 N ATOM 423 CA ASP A 29 3.893 7.698 8.069 1.00 0.00 C ATOM 424 C ASP A 29 2.746 8.061 7.130 1.00 0.00 C ATOM 425 O ASP A 29 2.375 9.211 7.006 1.00 0.00 O ATOM 426 CB ASP A 29 3.518 8.056 9.509 1.00 0.00 C ATOM 427 CG ASP A 29 4.610 7.561 10.461 1.00 0.00 C ATOM 428 OD1 ASP A 29 4.587 7.957 11.614 1.00 0.00 O ATOM 429 OD2 ASP A 29 5.451 6.795 10.018 1.00 0.00 O ATOM 0 H ASP A 29 5.463 9.109 8.361 1.00 0.00 H new ATOM 0 HA ASP A 29 4.098 6.629 8.017 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.398 9.135 9.607 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.561 7.604 9.770 1.00 0.00 H new ATOM 434 N LEU A 30 2.194 7.097 6.453 1.00 0.00 N ATOM 435 CA LEU A 30 1.087 7.398 5.507 1.00 0.00 C ATOM 436 C LEU A 30 -0.167 7.801 6.286 1.00 0.00 C ATOM 437 O LEU A 30 -1.230 7.967 5.721 1.00 0.00 O ATOM 438 CB LEU A 30 0.791 6.161 4.657 1.00 0.00 C ATOM 439 CG LEU A 30 0.392 4.997 5.564 1.00 0.00 C ATOM 440 CD1 LEU A 30 -0.974 4.459 5.132 1.00 0.00 C ATOM 441 CD2 LEU A 30 1.435 3.884 5.454 1.00 0.00 C ATOM 0 H LEU A 30 2.461 6.114 6.513 1.00 0.00 H new ATOM 0 HA LEU A 30 1.383 8.222 4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.011 6.376 3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.669 5.893 4.070 1.00 0.00 H new ATOM 0 HG LEU A 30 0.337 5.343 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.259 3.629 5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.718 5.252 5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.919 4.113 4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.151 3.054 6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.490 3.538 4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.409 4.266 5.761 1.00 0.00 H new ATOM 453 N VAL A 31 -0.057 7.961 7.577 1.00 0.00 N ATOM 454 CA VAL A 31 -1.252 8.353 8.375 1.00 0.00 C ATOM 455 C VAL A 31 -1.869 9.610 7.767 1.00 0.00 C ATOM 456 O VAL A 31 -3.074 9.744 7.689 1.00 0.00 O ATOM 457 CB VAL A 31 -0.834 8.630 9.821 1.00 0.00 C ATOM 458 CG1 VAL A 31 -0.133 9.987 9.899 1.00 0.00 C ATOM 459 CG2 VAL A 31 -2.077 8.648 10.714 1.00 0.00 C ATOM 0 H VAL A 31 0.804 7.838 8.110 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.984 7.545 8.363 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.152 7.849 10.158 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.165 10.184 10.929 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.751 9.977 9.261 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.814 10.768 9.562 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.782 8.845 11.745 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.757 9.430 10.375 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.579 7.682 10.659 1.00 0.00 H new ATOM 469 N ASP A 32 -1.056 10.522 7.313 1.00 0.00 N ATOM 470 CA ASP A 32 -1.609 11.752 6.687 1.00 0.00 C ATOM 471 C ASP A 32 -2.490 11.326 5.516 1.00 0.00 C ATOM 472 O ASP A 32 -3.522 11.910 5.248 1.00 0.00 O ATOM 473 CB ASP A 32 -0.464 12.632 6.179 1.00 0.00 C ATOM 474 CG ASP A 32 0.330 13.173 7.368 1.00 0.00 C ATOM 475 OD1 ASP A 32 1.405 13.707 7.145 1.00 0.00 O ATOM 476 OD2 ASP A 32 -0.148 13.045 8.483 1.00 0.00 O ATOM 0 H ASP A 32 -0.038 10.469 7.348 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.190 12.321 7.413 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.189 12.055 5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.860 13.457 5.587 1.00 0.00 H new ATOM 481 N ASN A 33 -2.087 10.294 4.828 1.00 0.00 N ATOM 482 CA ASN A 33 -2.885 9.789 3.681 1.00 0.00 C ATOM 483 C ASN A 33 -3.922 8.798 4.201 1.00 0.00 C ATOM 484 O ASN A 33 -4.444 7.986 3.464 1.00 0.00 O ATOM 485 CB ASN A 33 -1.966 9.089 2.687 1.00 0.00 C ATOM 486 CG ASN A 33 -0.889 10.064 2.219 1.00 0.00 C ATOM 487 OD1 ASN A 33 -1.176 11.196 1.886 1.00 0.00 O ATOM 488 ND2 ASN A 33 0.350 9.669 2.189 1.00 0.00 N ATOM 0 H ASN A 33 -1.229 9.775 5.015 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.383 10.621 3.183 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.506 8.217 3.152 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.541 8.729 1.834 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.083 10.311 1.885 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.589 8.718 2.469 1.00 0.00 H new ATOM 495 N GLY A 34 -4.212 8.854 5.474 1.00 0.00 N ATOM 496 CA GLY A 34 -5.210 7.918 6.063 1.00 0.00 C ATOM 497 C GLY A 34 -6.408 7.798 5.123 1.00 0.00 C ATOM 498 O GLY A 34 -7.214 6.900 5.239 1.00 0.00 O ATOM 0 H GLY A 34 -3.797 9.512 6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.758 6.939 6.221 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.534 8.281 7.039 1.00 0.00 H new ATOM 502 N VAL A 35 -6.527 8.692 4.184 1.00 0.00 N ATOM 503 CA VAL A 35 -7.670 8.616 3.234 1.00 0.00 C ATOM 504 C VAL A 35 -7.701 7.220 2.608 1.00 0.00 C ATOM 505 O VAL A 35 -8.749 6.661 2.354 1.00 0.00 O ATOM 506 CB VAL A 35 -7.490 9.666 2.134 1.00 0.00 C ATOM 507 CG1 VAL A 35 -8.519 9.430 1.026 1.00 0.00 C ATOM 508 CG2 VAL A 35 -7.689 11.063 2.724 1.00 0.00 C ATOM 0 H VAL A 35 -5.885 9.470 4.033 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.604 8.806 3.762 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.485 9.586 1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.390 10.178 0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.377 8.435 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.524 9.508 1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.561 11.810 1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.693 11.142 3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.955 11.233 3.512 1.00 0.00 H new ATOM 518 N ILE A 36 -6.550 6.660 2.355 1.00 0.00 N ATOM 519 CA ILE A 36 -6.486 5.303 1.741 1.00 0.00 C ATOM 520 C ILE A 36 -6.946 4.243 2.748 1.00 0.00 C ATOM 521 O ILE A 36 -7.333 3.152 2.380 1.00 0.00 O ATOM 522 CB ILE A 36 -5.040 5.004 1.347 1.00 0.00 C ATOM 523 CG1 ILE A 36 -5.014 3.909 0.278 1.00 0.00 C ATOM 524 CG2 ILE A 36 -4.273 4.525 2.580 1.00 0.00 C ATOM 525 CD1 ILE A 36 -3.612 3.301 0.201 1.00 0.00 C ATOM 0 H ILE A 36 -5.644 7.087 2.549 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.136 5.278 0.867 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.576 5.907 0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.744 3.136 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.295 4.325 -0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.240 4.310 2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.291 5.302 3.344 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.740 3.621 2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.595 2.521 -0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.892 4.078 -0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.349 2.870 1.167 1.00 0.00 H new ATOM 537 N ASP A 37 -6.878 4.545 4.013 1.00 0.00 N ATOM 538 CA ASP A 37 -7.277 3.546 5.048 1.00 0.00 C ATOM 539 C ASP A 37 -8.705 3.048 4.806 1.00 0.00 C ATOM 540 O ASP A 37 -9.025 1.916 5.107 1.00 0.00 O ATOM 541 CB ASP A 37 -7.197 4.183 6.437 1.00 0.00 C ATOM 542 CG ASP A 37 -5.743 4.534 6.755 1.00 0.00 C ATOM 543 OD1 ASP A 37 -4.871 4.051 6.054 1.00 0.00 O ATOM 544 OD2 ASP A 37 -5.527 5.279 7.697 1.00 0.00 O ATOM 0 H ASP A 37 -6.562 5.443 4.379 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.594 2.699 4.985 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.815 5.080 6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.589 3.496 7.187 1.00 0.00 H new ATOM 549 N SER A 38 -9.574 3.884 4.297 1.00 0.00 N ATOM 550 CA SER A 38 -10.984 3.444 4.076 1.00 0.00 C ATOM 551 C SER A 38 -11.341 3.453 2.587 1.00 0.00 C ATOM 552 O SER A 38 -11.643 2.427 2.009 1.00 0.00 O ATOM 553 CB SER A 38 -11.925 4.388 4.825 1.00 0.00 C ATOM 554 OG SER A 38 -11.659 4.300 6.231 1.00 0.00 O ATOM 0 H SER A 38 -9.370 4.846 4.027 1.00 0.00 H new ATOM 0 HA SER A 38 -11.090 2.425 4.447 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.783 5.412 4.479 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.963 4.123 4.622 1.00 0.00 H new ATOM 0 HG SER A 38 -12.259 4.905 6.716 1.00 0.00 H new ATOM 559 N LEU A 39 -11.332 4.596 1.965 1.00 0.00 N ATOM 560 CA LEU A 39 -11.700 4.654 0.521 1.00 0.00 C ATOM 561 C LEU A 39 -10.712 3.836 -0.305 1.00 0.00 C ATOM 562 O LEU A 39 -11.092 2.984 -1.084 1.00 0.00 O ATOM 563 CB LEU A 39 -11.679 6.107 0.044 1.00 0.00 C ATOM 564 CG LEU A 39 -12.957 6.825 0.494 1.00 0.00 C ATOM 565 CD1 LEU A 39 -14.153 6.316 -0.315 1.00 0.00 C ATOM 566 CD2 LEU A 39 -13.202 6.558 1.982 1.00 0.00 C ATOM 0 H LEU A 39 -11.087 5.491 2.390 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.701 4.241 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.804 6.618 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.596 6.141 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.839 7.896 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.057 6.830 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.985 6.511 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.269 5.244 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.111 7.070 2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.313 5.486 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.357 6.928 2.562 1.00 0.00 H new ATOM 578 N GLY A 40 -9.448 4.086 -0.143 1.00 0.00 N ATOM 579 CA GLY A 40 -8.432 3.325 -0.917 1.00 0.00 C ATOM 580 C GLY A 40 -8.363 1.885 -0.412 1.00 0.00 C ATOM 581 O GLY A 40 -8.231 0.951 -1.178 1.00 0.00 O ATOM 0 H GLY A 40 -9.071 4.787 0.495 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.687 3.336 -1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.456 3.801 -0.819 1.00 0.00 H new ATOM 585 N LEU A 41 -8.440 1.700 0.875 1.00 0.00 N ATOM 586 CA LEU A 41 -8.367 0.322 1.435 1.00 0.00 C ATOM 587 C LEU A 41 -9.492 -0.528 0.849 1.00 0.00 C ATOM 588 O LEU A 41 -9.301 -1.679 0.509 1.00 0.00 O ATOM 589 CB LEU A 41 -8.509 0.389 2.959 1.00 0.00 C ATOM 590 CG LEU A 41 -8.258 -0.992 3.571 1.00 0.00 C ATOM 591 CD1 LEU A 41 -7.495 -0.831 4.886 1.00 0.00 C ATOM 592 CD2 LEU A 41 -9.598 -1.679 3.850 1.00 0.00 C ATOM 0 H LEU A 41 -8.550 2.444 1.564 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.408 -0.128 1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.801 1.110 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.507 0.737 3.224 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.674 -1.596 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.315 -1.812 5.325 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.542 -0.338 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.084 -0.228 5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.419 -2.662 4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.179 -1.074 4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.151 -1.791 2.917 1.00 0.00 H new ATOM 604 N LEU A 42 -10.664 0.028 0.722 1.00 0.00 N ATOM 605 CA LEU A 42 -11.794 -0.758 0.151 1.00 0.00 C ATOM 606 C LEU A 42 -11.455 -1.144 -1.290 1.00 0.00 C ATOM 607 O LEU A 42 -11.653 -2.268 -1.707 1.00 0.00 O ATOM 608 CB LEU A 42 -13.066 0.095 0.169 1.00 0.00 C ATOM 609 CG LEU A 42 -14.259 -0.735 -0.318 1.00 0.00 C ATOM 610 CD1 LEU A 42 -14.664 -1.737 0.761 1.00 0.00 C ATOM 611 CD2 LEU A 42 -15.437 0.195 -0.613 1.00 0.00 C ATOM 0 H LEU A 42 -10.888 0.987 0.987 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.956 -1.659 0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.254 0.461 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.936 0.970 -0.468 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.979 -1.273 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.512 -2.325 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -13.826 -2.400 0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -14.943 -1.202 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.287 -0.393 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -15.713 0.732 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.152 0.910 -1.385 1.00 0.00 H new ATOM 623 N LYS A 43 -10.938 -0.219 -2.051 1.00 0.00 N ATOM 624 CA LYS A 43 -10.575 -0.525 -3.460 1.00 0.00 C ATOM 625 C LYS A 43 -9.425 -1.532 -3.486 1.00 0.00 C ATOM 626 O LYS A 43 -9.343 -2.377 -4.355 1.00 0.00 O ATOM 627 CB LYS A 43 -10.145 0.763 -4.156 1.00 0.00 C ATOM 628 CG LYS A 43 -11.335 1.720 -4.242 1.00 0.00 C ATOM 629 CD LYS A 43 -10.936 2.960 -5.042 1.00 0.00 C ATOM 630 CE LYS A 43 -12.087 3.967 -5.033 1.00 0.00 C ATOM 631 NZ LYS A 43 -12.086 4.737 -6.309 1.00 0.00 N ATOM 0 H LYS A 43 -10.751 0.739 -1.755 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.435 -0.951 -3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.328 1.230 -3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.771 0.541 -5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.181 1.224 -4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.657 2.008 -3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.042 3.411 -4.612 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.691 2.681 -6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.037 3.448 -4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.983 4.646 -4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.869 5.421 -6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.183 5.244 -6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.205 4.083 -7.109 1.00 0.00 H new ATOM 645 N VAL A 44 -8.527 -1.439 -2.543 1.00 0.00 N ATOM 646 CA VAL A 44 -7.371 -2.379 -2.515 1.00 0.00 C ATOM 647 C VAL A 44 -7.864 -3.820 -2.372 1.00 0.00 C ATOM 648 O VAL A 44 -7.377 -4.718 -3.028 1.00 0.00 O ATOM 649 CB VAL A 44 -6.468 -2.034 -1.330 1.00 0.00 C ATOM 650 CG1 VAL A 44 -5.405 -3.120 -1.168 1.00 0.00 C ATOM 651 CG2 VAL A 44 -5.787 -0.687 -1.586 1.00 0.00 C ATOM 0 H VAL A 44 -8.544 -0.751 -1.790 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.814 -2.285 -3.447 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.066 -1.973 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.761 -2.875 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.890 -4.080 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.805 -3.181 -2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.143 -0.439 -0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.188 -0.749 -2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.545 0.087 -1.704 1.00 0.00 H new ATOM 661 N ILE A 45 -8.823 -4.052 -1.520 1.00 0.00 N ATOM 662 CA ILE A 45 -9.335 -5.437 -1.339 1.00 0.00 C ATOM 663 C ILE A 45 -9.880 -5.962 -2.670 1.00 0.00 C ATOM 664 O ILE A 45 -9.537 -7.043 -3.106 1.00 0.00 O ATOM 665 CB ILE A 45 -10.451 -5.428 -0.289 1.00 0.00 C ATOM 666 CG1 ILE A 45 -9.857 -5.701 1.096 1.00 0.00 C ATOM 667 CG2 ILE A 45 -11.480 -6.505 -0.624 1.00 0.00 C ATOM 668 CD1 ILE A 45 -8.944 -4.545 1.504 1.00 0.00 C ATOM 0 H ILE A 45 -9.274 -3.343 -0.942 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.526 -6.086 -1.005 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.936 -4.452 -0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.656 -5.821 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.294 -6.634 1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.272 -6.496 0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.907 -6.307 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.996 -7.482 -0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.524 -4.744 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.136 -4.446 0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.520 -3.620 1.535 1.00 0.00 H new ATOM 680 N ALA A 46 -10.726 -5.209 -3.316 1.00 0.00 N ATOM 681 CA ALA A 46 -11.288 -5.672 -4.617 1.00 0.00 C ATOM 682 C ALA A 46 -10.178 -5.729 -5.666 1.00 0.00 C ATOM 683 O ALA A 46 -10.152 -6.605 -6.509 1.00 0.00 O ATOM 684 CB ALA A 46 -12.375 -4.698 -5.077 1.00 0.00 C ATOM 0 H ALA A 46 -11.052 -4.295 -3.001 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.717 -6.666 -4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.787 -5.035 -6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.169 -4.660 -4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.945 -3.704 -5.200 1.00 0.00 H new ATOM 690 N TRP A 47 -9.260 -4.803 -5.623 1.00 0.00 N ATOM 691 CA TRP A 47 -8.152 -4.807 -6.620 1.00 0.00 C ATOM 692 C TRP A 47 -7.251 -6.014 -6.380 1.00 0.00 C ATOM 693 O TRP A 47 -6.831 -6.682 -7.305 1.00 0.00 O ATOM 694 CB TRP A 47 -7.326 -3.530 -6.471 1.00 0.00 C ATOM 695 CG TRP A 47 -6.019 -3.707 -7.175 1.00 0.00 C ATOM 696 CD1 TRP A 47 -5.849 -3.703 -8.516 1.00 0.00 C ATOM 697 CD2 TRP A 47 -4.699 -3.918 -6.595 1.00 0.00 C ATOM 698 NE1 TRP A 47 -4.508 -3.899 -8.797 1.00 0.00 N ATOM 699 CE2 TRP A 47 -3.759 -4.036 -7.646 1.00 0.00 C ATOM 700 CE3 TRP A 47 -4.230 -4.018 -5.272 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -2.403 -4.244 -7.394 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -2.866 -4.227 -5.015 1.00 0.00 C ATOM 703 CH2 TRP A 47 -1.953 -4.340 -6.074 1.00 0.00 C ATOM 0 H TRP A 47 -9.229 -4.045 -4.942 1.00 0.00 H new ATOM 0 HA TRP A 47 -8.574 -4.858 -7.624 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.867 -2.681 -6.890 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.158 -3.312 -5.416 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.631 -3.569 -9.248 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.121 -3.937 -9.740 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.924 -3.933 -4.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.705 -4.330 -8.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -2.517 -4.301 -3.996 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -0.905 -4.501 -5.870 1.00 0.00 H new ATOM 714 N LEU A 48 -6.938 -6.291 -5.148 1.00 0.00 N ATOM 715 CA LEU A 48 -6.052 -7.443 -4.851 1.00 0.00 C ATOM 716 C LEU A 48 -6.674 -8.722 -5.411 1.00 0.00 C ATOM 717 O LEU A 48 -6.016 -9.513 -6.057 1.00 0.00 O ATOM 718 CB LEU A 48 -5.897 -7.572 -3.337 1.00 0.00 C ATOM 719 CG LEU A 48 -4.840 -8.619 -3.012 1.00 0.00 C ATOM 720 CD1 LEU A 48 -3.461 -7.974 -3.084 1.00 0.00 C ATOM 721 CD2 LEU A 48 -5.080 -9.162 -1.603 1.00 0.00 C ATOM 0 H LEU A 48 -7.259 -5.768 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.076 -7.287 -5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.613 -6.611 -2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.850 -7.853 -2.888 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.898 -9.438 -3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.699 -8.718 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.294 -7.584 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.403 -7.158 -2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.324 -9.912 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.017 -8.346 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.070 -9.616 -1.552 1.00 0.00 H new ATOM 733 N GLU A 49 -7.940 -8.923 -5.180 1.00 0.00 N ATOM 734 CA GLU A 49 -8.606 -10.144 -5.710 1.00 0.00 C ATOM 735 C GLU A 49 -8.668 -10.057 -7.235 1.00 0.00 C ATOM 736 O GLU A 49 -8.509 -11.036 -7.932 1.00 0.00 O ATOM 737 CB GLU A 49 -10.022 -10.238 -5.137 1.00 0.00 C ATOM 738 CG GLU A 49 -10.700 -11.505 -5.646 1.00 0.00 C ATOM 739 CD GLU A 49 -12.143 -11.552 -5.138 1.00 0.00 C ATOM 740 OE1 GLU A 49 -12.544 -10.617 -4.467 1.00 0.00 O ATOM 741 OE2 GLU A 49 -12.820 -12.525 -5.428 1.00 0.00 O ATOM 0 H GLU A 49 -8.542 -8.295 -4.648 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.043 -11.031 -5.420 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.984 -10.247 -4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.601 -9.362 -5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.686 -11.525 -6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.154 -12.384 -5.304 1.00 0.00 H new ATOM 748 N ASP A 50 -8.906 -8.890 -7.755 1.00 0.00 N ATOM 749 CA ASP A 50 -8.989 -8.733 -9.233 1.00 0.00 C ATOM 750 C ASP A 50 -7.632 -9.017 -9.883 1.00 0.00 C ATOM 751 O ASP A 50 -7.550 -9.630 -10.929 1.00 0.00 O ATOM 752 CB ASP A 50 -9.407 -7.301 -9.554 1.00 0.00 C ATOM 753 CG ASP A 50 -9.681 -7.170 -11.053 1.00 0.00 C ATOM 754 OD1 ASP A 50 -9.580 -8.171 -11.744 1.00 0.00 O ATOM 755 OD2 ASP A 50 -9.987 -6.071 -11.487 1.00 0.00 O ATOM 0 H ASP A 50 -9.048 -8.033 -7.220 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.719 -9.441 -9.624 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.299 -7.036 -8.987 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.622 -6.607 -9.256 1.00 0.00 H new ATOM 760 N ARG A 51 -6.570 -8.548 -9.291 1.00 0.00 N ATOM 761 CA ARG A 51 -5.220 -8.760 -9.894 1.00 0.00 C ATOM 762 C ARG A 51 -4.605 -10.094 -9.451 1.00 0.00 C ATOM 763 O ARG A 51 -4.246 -10.920 -10.267 1.00 0.00 O ATOM 764 CB ARG A 51 -4.298 -7.615 -9.468 1.00 0.00 C ATOM 765 CG ARG A 51 -2.956 -7.743 -10.190 1.00 0.00 C ATOM 766 CD ARG A 51 -2.021 -6.622 -9.733 1.00 0.00 C ATOM 767 NE ARG A 51 -0.759 -6.676 -10.521 1.00 0.00 N ATOM 768 CZ ARG A 51 0.139 -7.583 -10.254 1.00 0.00 C ATOM 769 NH1 ARG A 51 1.245 -7.630 -10.945 1.00 0.00 N ATOM 770 NH2 ARG A 51 -0.068 -8.446 -9.297 1.00 0.00 N ATOM 0 H ARG A 51 -6.576 -8.026 -8.415 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.331 -8.783 -10.978 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.759 -6.656 -9.704 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.146 -7.639 -8.389 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.508 -8.714 -9.978 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.105 -7.690 -11.268 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.504 -5.654 -9.866 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.803 -6.726 -8.670 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.597 -6.003 -11.270 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.407 -6.957 -11.694 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.947 -8.340 -10.736 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.933 -8.411 -8.757 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.635 -9.155 -9.089 1.00 0.00 H new ATOM 784 N PHE A 52 -4.442 -10.297 -8.172 1.00 0.00 N ATOM 785 CA PHE A 52 -3.806 -11.556 -7.691 1.00 0.00 C ATOM 786 C PHE A 52 -4.800 -12.723 -7.686 1.00 0.00 C ATOM 787 O PHE A 52 -4.407 -13.872 -7.663 1.00 0.00 O ATOM 788 CB PHE A 52 -3.278 -11.336 -6.273 1.00 0.00 C ATOM 789 CG PHE A 52 -2.126 -10.362 -6.312 1.00 0.00 C ATOM 790 CD1 PHE A 52 -0.841 -10.814 -6.633 1.00 0.00 C ATOM 791 CD2 PHE A 52 -2.341 -9.009 -6.028 1.00 0.00 C ATOM 792 CE1 PHE A 52 0.230 -9.912 -6.670 1.00 0.00 C ATOM 793 CE2 PHE A 52 -1.271 -8.107 -6.064 1.00 0.00 C ATOM 794 CZ PHE A 52 0.014 -8.559 -6.386 1.00 0.00 C ATOM 0 H PHE A 52 -4.722 -9.645 -7.439 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.991 -11.810 -8.369 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.072 -10.951 -5.633 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.953 -12.283 -5.843 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.675 -11.858 -6.852 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.333 -8.660 -5.781 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.222 -10.261 -6.918 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.437 -7.063 -5.843 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.839 -7.863 -6.415 1.00 0.00 H new ATOM 804 N GLY A 53 -6.074 -12.457 -7.699 1.00 0.00 N ATOM 805 CA GLY A 53 -7.053 -13.583 -7.685 1.00 0.00 C ATOM 806 C GLY A 53 -7.169 -14.127 -6.260 1.00 0.00 C ATOM 807 O GLY A 53 -7.459 -15.288 -6.049 1.00 0.00 O ATOM 0 H GLY A 53 -6.479 -11.521 -7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.026 -13.240 -8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.729 -14.372 -8.364 1.00 0.00 H new ATOM 811 N ILE A 54 -6.937 -13.295 -5.281 1.00 0.00 N ATOM 812 CA ILE A 54 -7.024 -13.756 -3.868 1.00 0.00 C ATOM 813 C ILE A 54 -8.321 -13.238 -3.245 1.00 0.00 C ATOM 814 O ILE A 54 -8.749 -12.134 -3.509 1.00 0.00 O ATOM 815 CB ILE A 54 -5.834 -13.203 -3.083 1.00 0.00 C ATOM 816 CG1 ILE A 54 -4.534 -13.633 -3.763 1.00 0.00 C ATOM 817 CG2 ILE A 54 -5.866 -13.750 -1.655 1.00 0.00 C ATOM 818 CD1 ILE A 54 -3.368 -12.832 -3.180 1.00 0.00 C ATOM 0 H ILE A 54 -6.690 -12.313 -5.401 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.012 -14.846 -3.837 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.890 -12.115 -3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.368 -14.700 -3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.601 -13.469 -4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.018 -13.356 -1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.794 -13.446 -1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.810 -14.838 -1.681 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.440 -13.137 -3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.535 -11.769 -3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.298 -13.019 -2.108 1.00 0.00 H new ATOM 830 N ALA A 55 -8.949 -14.027 -2.417 1.00 0.00 N ATOM 831 CA ALA A 55 -10.216 -13.575 -1.779 1.00 0.00 C ATOM 832 C ALA A 55 -9.936 -12.334 -0.933 1.00 0.00 C ATOM 833 O ALA A 55 -8.828 -12.113 -0.489 1.00 0.00 O ATOM 834 CB ALA A 55 -10.766 -14.690 -0.886 1.00 0.00 C ATOM 0 H ALA A 55 -8.640 -14.963 -2.156 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.950 -13.336 -2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.694 -14.358 -0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.960 -15.577 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.036 -14.930 -0.113 1.00 0.00 H new ATOM 840 N ALA A 56 -10.927 -11.516 -0.716 1.00 0.00 N ATOM 841 CA ALA A 56 -10.705 -10.284 0.090 1.00 0.00 C ATOM 842 C ALA A 56 -10.066 -10.660 1.427 1.00 0.00 C ATOM 843 O ALA A 56 -9.193 -9.975 1.922 1.00 0.00 O ATOM 844 CB ALA A 56 -12.046 -9.593 0.344 1.00 0.00 C ATOM 0 H ALA A 56 -11.878 -11.646 -1.061 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.044 -9.608 -0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.884 -8.691 0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.504 -9.326 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.706 -10.269 0.888 1.00 0.00 H new ATOM 924 N SER A 62 -6.137 -2.685 13.343 1.00 0.00 N ATOM 925 CA SER A 62 -6.251 -1.316 13.920 1.00 0.00 C ATOM 926 C SER A 62 -5.451 -0.333 13.063 1.00 0.00 C ATOM 927 O SER A 62 -4.583 -0.720 12.306 1.00 0.00 O ATOM 928 CB SER A 62 -5.700 -1.317 15.346 1.00 0.00 C ATOM 929 OG SER A 62 -4.701 -0.312 15.462 1.00 0.00 O ATOM 0 HA SER A 62 -7.298 -1.014 13.936 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.503 -1.132 16.059 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.280 -2.294 15.586 1.00 0.00 H new ATOM 0 HG SER A 62 -4.346 -0.308 16.375 1.00 0.00 H new ATOM 935 N PRO A 63 -5.743 0.933 13.189 1.00 0.00 N ATOM 936 CA PRO A 63 -5.044 2.006 12.423 1.00 0.00 C ATOM 937 C PRO A 63 -3.538 2.015 12.699 1.00 0.00 C ATOM 938 O PRO A 63 -2.756 2.527 11.922 1.00 0.00 O ATOM 939 CB PRO A 63 -5.688 3.308 12.918 1.00 0.00 C ATOM 940 CG PRO A 63 -6.410 2.959 14.178 1.00 0.00 C ATOM 941 CD PRO A 63 -6.772 1.480 14.080 1.00 0.00 C ATOM 0 HA PRO A 63 -5.145 1.863 11.347 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.932 4.072 13.101 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.375 3.711 12.174 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.782 3.147 15.049 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.305 3.570 14.293 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.755 0.997 15.057 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.773 1.338 13.672 1.00 0.00 H new ATOM 949 N GLU A 64 -3.130 1.455 13.803 1.00 0.00 N ATOM 950 CA GLU A 64 -1.680 1.428 14.143 1.00 0.00 C ATOM 951 C GLU A 64 -0.896 0.693 13.049 1.00 0.00 C ATOM 952 O GLU A 64 0.251 0.992 12.784 1.00 0.00 O ATOM 953 CB GLU A 64 -1.490 0.702 15.473 1.00 0.00 C ATOM 954 CG GLU A 64 -0.030 0.789 15.901 1.00 0.00 C ATOM 955 CD GLU A 64 0.181 -0.027 17.178 1.00 0.00 C ATOM 956 OE1 GLU A 64 -0.778 -0.626 17.638 1.00 0.00 O ATOM 957 OE2 GLU A 64 1.295 -0.038 17.673 1.00 0.00 O ATOM 0 H GLU A 64 -3.742 1.012 14.488 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.311 2.451 14.220 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.130 1.146 16.236 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.789 -0.342 15.375 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.615 0.413 15.107 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.248 1.829 16.072 1.00 0.00 H new ATOM 964 N HIS A 65 -1.503 -0.282 12.430 1.00 0.00 N ATOM 965 CA HIS A 65 -0.797 -1.063 11.369 1.00 0.00 C ATOM 966 C HIS A 65 -0.578 -0.220 10.105 1.00 0.00 C ATOM 967 O HIS A 65 0.323 -0.479 9.333 1.00 0.00 O ATOM 968 CB HIS A 65 -1.635 -2.293 11.014 1.00 0.00 C ATOM 969 CG HIS A 65 -0.985 -3.036 9.880 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.492 -3.005 8.589 1.00 0.00 N ATOM 971 CD2 HIS A 65 0.133 -3.833 9.825 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.690 -3.762 7.819 1.00 0.00 C ATOM 973 NE2 HIS A 65 0.313 -4.287 8.524 1.00 0.00 N ATOM 0 H HIS A 65 -2.463 -0.575 12.613 1.00 0.00 H new ATOM 0 HA HIS A 65 0.179 -1.361 11.753 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.729 -2.945 11.883 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.643 -1.990 10.733 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.772 -4.070 10.663 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.840 -3.924 6.762 1.00 0.00 H new ATOM 0 HE2 HIS A 65 1.057 -4.895 8.180 1.00 0.00 H new ATOM 982 N PHE A 66 -1.401 0.762 9.865 1.00 0.00 N ATOM 983 CA PHE A 66 -1.236 1.581 8.626 1.00 0.00 C ATOM 984 C PHE A 66 -0.416 2.844 8.913 1.00 0.00 C ATOM 985 O PHE A 66 -0.300 3.717 8.077 1.00 0.00 O ATOM 986 CB PHE A 66 -2.618 1.980 8.108 1.00 0.00 C ATOM 987 CG PHE A 66 -3.421 0.734 7.825 1.00 0.00 C ATOM 988 CD1 PHE A 66 -4.175 0.146 8.846 1.00 0.00 C ATOM 989 CD2 PHE A 66 -3.412 0.166 6.545 1.00 0.00 C ATOM 990 CE1 PHE A 66 -4.920 -1.009 8.590 1.00 0.00 C ATOM 991 CE2 PHE A 66 -4.158 -0.990 6.288 1.00 0.00 C ATOM 992 CZ PHE A 66 -4.913 -1.578 7.311 1.00 0.00 C ATOM 0 H PHE A 66 -2.178 1.034 10.468 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.707 0.989 7.879 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.131 2.598 8.845 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.521 2.578 7.202 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.182 0.585 9.833 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.830 0.620 5.757 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.501 -1.462 9.379 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.152 -1.429 5.301 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.489 -2.470 7.113 1.00 0.00 H new ATOM 1002 N ARG A 67 0.143 2.958 10.084 1.00 0.00 N ATOM 1003 CA ARG A 67 0.941 4.177 10.410 1.00 0.00 C ATOM 1004 C ARG A 67 2.132 4.316 9.454 1.00 0.00 C ATOM 1005 O ARG A 67 2.482 5.409 9.056 1.00 0.00 O ATOM 1006 CB ARG A 67 1.461 4.072 11.845 1.00 0.00 C ATOM 1007 CG ARG A 67 0.280 3.988 12.810 1.00 0.00 C ATOM 1008 CD ARG A 67 -0.291 5.386 13.063 1.00 0.00 C ATOM 1009 NE ARG A 67 -1.287 5.317 14.170 1.00 0.00 N ATOM 1010 CZ ARG A 67 -2.184 6.257 14.299 1.00 0.00 C ATOM 1011 NH1 ARG A 67 -3.055 6.198 15.268 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -2.208 7.255 13.459 1.00 0.00 N ATOM 0 H ARG A 67 0.084 2.264 10.829 1.00 0.00 H new ATOM 0 HA ARG A 67 0.300 5.052 10.304 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.094 3.191 11.950 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.078 4.938 12.084 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.493 3.340 12.396 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.600 3.541 13.751 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.511 6.078 13.322 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.762 5.769 12.158 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.268 4.536 14.826 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.035 5.418 15.925 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.756 6.932 15.369 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.526 7.301 12.702 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.909 7.989 13.560 1.00 0.00 H new ATOM 1026 N SER A 68 2.765 3.229 9.095 1.00 0.00 N ATOM 1027 CA SER A 68 3.944 3.322 8.179 1.00 0.00 C ATOM 1028 C SER A 68 3.759 2.398 6.972 1.00 0.00 C ATOM 1029 O SER A 68 3.162 1.345 7.064 1.00 0.00 O ATOM 1030 CB SER A 68 5.205 2.912 8.938 1.00 0.00 C ATOM 1031 OG SER A 68 5.374 3.766 10.062 1.00 0.00 O ATOM 0 H SER A 68 2.519 2.285 9.394 1.00 0.00 H new ATOM 0 HA SER A 68 4.036 4.349 7.826 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.127 1.875 9.263 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.074 2.976 8.284 1.00 0.00 H new ATOM 0 HG SER A 68 5.363 4.701 9.767 1.00 0.00 H new ATOM 1037 N ILE A 69 4.280 2.790 5.838 1.00 0.00 N ATOM 1038 CA ILE A 69 4.158 1.954 4.618 1.00 0.00 C ATOM 1039 C ILE A 69 4.882 0.621 4.828 1.00 0.00 C ATOM 1040 O ILE A 69 4.461 -0.410 4.342 1.00 0.00 O ATOM 1041 CB ILE A 69 4.798 2.697 3.447 1.00 0.00 C ATOM 1042 CG1 ILE A 69 4.091 4.031 3.234 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.664 1.863 2.185 1.00 0.00 C ATOM 1044 CD1 ILE A 69 4.856 4.858 2.199 1.00 0.00 C ATOM 0 H ILE A 69 4.789 3.664 5.709 1.00 0.00 H new ATOM 0 HA ILE A 69 3.106 1.760 4.410 1.00 0.00 H new ATOM 0 HB ILE A 69 5.851 2.871 3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.069 3.862 2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.029 4.576 4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.120 2.393 1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.166 0.906 2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.609 1.691 1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.349 5.811 2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.870 5.039 2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.895 4.314 1.255 1.00 0.00 H new ATOM 1056 N ARG A 70 5.983 0.639 5.530 1.00 0.00 N ATOM 1057 CA ARG A 70 6.754 -0.618 5.754 1.00 0.00 C ATOM 1058 C ARG A 70 5.889 -1.643 6.493 1.00 0.00 C ATOM 1059 O ARG A 70 5.955 -2.826 6.225 1.00 0.00 O ATOM 1060 CB ARG A 70 7.993 -0.304 6.594 1.00 0.00 C ATOM 1061 CG ARG A 70 8.907 0.649 5.821 1.00 0.00 C ATOM 1062 CD ARG A 70 10.195 0.875 6.616 1.00 0.00 C ATOM 1063 NE ARG A 70 9.857 1.380 7.976 1.00 0.00 N ATOM 1064 CZ ARG A 70 10.767 1.399 8.910 1.00 0.00 C ATOM 1065 NH1 ARG A 70 10.469 1.839 10.102 1.00 0.00 N ATOM 1066 NH2 ARG A 70 11.975 0.976 8.654 1.00 0.00 N ATOM 0 H ARG A 70 6.383 1.473 5.960 1.00 0.00 H new ATOM 0 HA ARG A 70 7.051 -1.032 4.790 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.698 0.147 7.542 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.527 -1.224 6.831 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.140 0.232 4.841 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.400 1.599 5.651 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.757 -0.056 6.691 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.833 1.591 6.099 1.00 0.00 H new ATOM 0 HE ARG A 70 8.913 1.711 8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.525 2.168 10.303 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.180 1.854 10.833 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.208 0.630 7.723 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.686 0.991 9.385 1.00 0.00 H new ATOM 1080 N SER A 71 5.083 -1.207 7.420 1.00 0.00 N ATOM 1081 CA SER A 71 4.227 -2.169 8.165 1.00 0.00 C ATOM 1082 C SER A 71 3.285 -2.871 7.185 1.00 0.00 C ATOM 1083 O SER A 71 3.003 -4.046 7.312 1.00 0.00 O ATOM 1084 CB SER A 71 3.409 -1.408 9.207 1.00 0.00 C ATOM 1085 OG SER A 71 2.486 -0.554 8.544 1.00 0.00 O ATOM 0 H SER A 71 4.981 -0.230 7.693 1.00 0.00 H new ATOM 0 HA SER A 71 4.851 -2.912 8.662 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.877 -2.108 9.851 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.068 -0.823 9.848 1.00 0.00 H new ATOM 0 HG SER A 71 1.721 -0.380 9.131 1.00 0.00 H new ATOM 1091 N ILE A 72 2.808 -2.161 6.201 1.00 0.00 N ATOM 1092 CA ILE A 72 1.899 -2.780 5.206 1.00 0.00 C ATOM 1093 C ILE A 72 2.667 -3.840 4.418 1.00 0.00 C ATOM 1094 O ILE A 72 2.147 -4.888 4.093 1.00 0.00 O ATOM 1095 CB ILE A 72 1.393 -1.697 4.258 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.644 -0.630 5.060 1.00 0.00 C ATOM 1097 CG2 ILE A 72 0.450 -2.322 3.237 1.00 0.00 C ATOM 1098 CD1 ILE A 72 0.267 0.532 4.139 1.00 0.00 C ATOM 0 H ILE A 72 3.012 -1.174 6.045 1.00 0.00 H new ATOM 0 HA ILE A 72 1.053 -3.248 5.709 1.00 0.00 H new ATOM 0 HB ILE A 72 2.236 -1.238 3.742 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.253 -1.059 5.507 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.268 -0.271 5.879 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.086 -1.551 2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.983 -3.084 2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.395 -2.778 3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.266 1.291 4.711 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.171 0.967 3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.373 0.167 3.336 1.00 0.00 H new ATOM 1110 N ASP A 73 3.905 -3.569 4.106 1.00 0.00 N ATOM 1111 CA ASP A 73 4.716 -4.551 3.336 1.00 0.00 C ATOM 1112 C ASP A 73 4.745 -5.887 4.077 1.00 0.00 C ATOM 1113 O ASP A 73 4.686 -6.940 3.474 1.00 0.00 O ATOM 1114 CB ASP A 73 6.145 -4.021 3.191 1.00 0.00 C ATOM 1115 CG ASP A 73 6.925 -4.910 2.222 1.00 0.00 C ATOM 1116 OD1 ASP A 73 6.307 -5.754 1.593 1.00 0.00 O ATOM 1117 OD2 ASP A 73 8.128 -4.734 2.128 1.00 0.00 O ATOM 0 H ASP A 73 4.390 -2.706 4.353 1.00 0.00 H new ATOM 0 HA ASP A 73 4.273 -4.694 2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.128 -2.994 2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.638 -4.005 4.163 1.00 0.00 H new ATOM 1122 N ALA A 74 4.834 -5.859 5.377 1.00 0.00 N ATOM 1123 CA ALA A 74 4.867 -7.137 6.140 1.00 0.00 C ATOM 1124 C ALA A 74 3.545 -7.880 5.944 1.00 0.00 C ATOM 1125 O ALA A 74 3.517 -9.080 5.758 1.00 0.00 O ATOM 1126 CB ALA A 74 5.073 -6.843 7.627 1.00 0.00 C ATOM 0 H ALA A 74 4.885 -5.011 5.942 1.00 0.00 H new ATOM 0 HA ALA A 74 5.689 -7.754 5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.097 -7.780 8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.016 -6.314 7.766 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.253 -6.225 7.993 1.00 0.00 H new ATOM 1132 N PHE A 75 2.451 -7.175 5.980 1.00 0.00 N ATOM 1133 CA PHE A 75 1.131 -7.841 5.792 1.00 0.00 C ATOM 1134 C PHE A 75 1.048 -8.425 4.379 1.00 0.00 C ATOM 1135 O PHE A 75 0.628 -9.549 4.184 1.00 0.00 O ATOM 1136 CB PHE A 75 0.013 -6.821 5.987 1.00 0.00 C ATOM 1137 CG PHE A 75 -1.323 -7.519 5.927 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -2.035 -7.566 4.722 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -1.852 -8.121 7.075 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -3.275 -8.215 4.666 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -3.092 -8.769 7.020 1.00 0.00 C ATOM 1142 CZ PHE A 75 -3.802 -8.816 5.815 1.00 0.00 C ATOM 0 H PHE A 75 2.412 -6.167 6.131 1.00 0.00 H new ATOM 0 HA PHE A 75 1.023 -8.643 6.523 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.129 -6.318 6.947 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.069 -6.053 5.216 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.628 -7.102 3.836 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.303 -8.086 8.004 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.824 -8.252 3.737 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.500 -9.232 7.906 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.758 -9.317 5.772 1.00 0.00 H new ATOM 1152 N VAL A 76 1.441 -7.666 3.392 1.00 0.00 N ATOM 1153 CA VAL A 76 1.383 -8.161 1.992 1.00 0.00 C ATOM 1154 C VAL A 76 2.346 -9.339 1.811 1.00 0.00 C ATOM 1155 O VAL A 76 2.021 -10.322 1.176 1.00 0.00 O ATOM 1156 CB VAL A 76 1.782 -7.023 1.056 1.00 0.00 C ATOM 1157 CG1 VAL A 76 1.880 -7.549 -0.371 1.00 0.00 C ATOM 1158 CG2 VAL A 76 0.727 -5.917 1.120 1.00 0.00 C ATOM 0 H VAL A 76 1.802 -6.718 3.499 1.00 0.00 H new ATOM 0 HA VAL A 76 0.372 -8.498 1.763 1.00 0.00 H new ATOM 0 HB VAL A 76 2.748 -6.622 1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.165 -6.737 -1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.631 -8.337 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.914 -7.950 -0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.011 -5.104 0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.239 -6.318 0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.656 -5.540 2.140 1.00 0.00 H new ATOM 1168 N VAL A 77 3.528 -9.249 2.359 1.00 0.00 N ATOM 1169 CA VAL A 77 4.502 -10.362 2.210 1.00 0.00 C ATOM 1170 C VAL A 77 3.955 -11.625 2.877 1.00 0.00 C ATOM 1171 O VAL A 77 4.062 -12.715 2.350 1.00 0.00 O ATOM 1172 CB VAL A 77 5.818 -9.961 2.876 1.00 0.00 C ATOM 1173 CG1 VAL A 77 6.720 -11.184 2.988 1.00 0.00 C ATOM 1174 CG2 VAL A 77 6.514 -8.893 2.029 1.00 0.00 C ATOM 0 H VAL A 77 3.859 -8.452 2.903 1.00 0.00 H new ATOM 0 HA VAL A 77 4.667 -10.564 1.152 1.00 0.00 H new ATOM 0 HB VAL A 77 5.616 -9.562 3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.659 -10.901 3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.225 -11.947 3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.921 -11.580 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.453 -8.607 2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.717 -9.292 1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.869 -8.019 1.944 1.00 0.00 H new ATOM 1184 N GLY A 78 3.374 -11.487 4.035 1.00 0.00 N ATOM 1185 CA GLY A 78 2.824 -12.677 4.745 1.00 0.00 C ATOM 1186 C GLY A 78 1.735 -13.345 3.902 1.00 0.00 C ATOM 1187 O GLY A 78 1.523 -14.539 3.983 1.00 0.00 O ATOM 0 H GLY A 78 3.255 -10.599 4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.624 -13.389 4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.413 -12.376 5.709 1.00 0.00 H new ATOM 1191 N ALA A 79 1.029 -12.590 3.104 1.00 0.00 N ATOM 1192 CA ALA A 79 -0.053 -13.196 2.278 1.00 0.00 C ATOM 1193 C ALA A 79 0.453 -13.475 0.863 1.00 0.00 C ATOM 1194 O ALA A 79 0.288 -14.558 0.337 1.00 0.00 O ATOM 1195 CB ALA A 79 -1.239 -12.232 2.211 1.00 0.00 C ATOM 0 H ALA A 79 1.154 -11.584 2.989 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.363 -14.136 2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.032 -12.673 1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.612 -12.043 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.919 -11.293 1.760 1.00 0.00 H new ATOM 1201 N THR A 80 1.066 -12.509 0.242 1.00 0.00 N ATOM 1202 CA THR A 80 1.579 -12.722 -1.140 1.00 0.00 C ATOM 1203 C THR A 80 2.954 -12.068 -1.282 1.00 0.00 C ATOM 1204 O THR A 80 3.289 -11.147 -0.565 1.00 0.00 O ATOM 1205 CB THR A 80 0.602 -12.105 -2.146 1.00 0.00 C ATOM 1206 OG1 THR A 80 0.933 -12.544 -3.456 1.00 0.00 O ATOM 1207 CG2 THR A 80 0.684 -10.579 -2.079 1.00 0.00 C ATOM 0 H THR A 80 1.235 -11.581 0.630 1.00 0.00 H new ATOM 0 HA THR A 80 1.670 -13.790 -1.336 1.00 0.00 H new ATOM 0 HB THR A 80 -0.413 -12.419 -1.903 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.308 -12.151 -4.100 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.013 -10.145 -2.796 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.425 -10.244 -1.074 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.698 -10.258 -2.319 1.00 0.00 H new ATOM 1215 N THR A 81 3.751 -12.540 -2.201 1.00 0.00 N ATOM 1216 CA THR A 81 5.106 -11.954 -2.390 1.00 0.00 C ATOM 1217 C THR A 81 5.354 -11.707 -3.885 1.00 0.00 C ATOM 1218 O THR A 81 5.857 -12.565 -4.583 1.00 0.00 O ATOM 1219 CB THR A 81 6.149 -12.931 -1.847 1.00 0.00 C ATOM 1220 OG1 THR A 81 7.426 -12.609 -2.382 1.00 0.00 O ATOM 1221 CG2 THR A 81 5.770 -14.359 -2.243 1.00 0.00 C ATOM 0 H THR A 81 3.520 -13.309 -2.831 1.00 0.00 H new ATOM 0 HA THR A 81 5.178 -11.007 -1.856 1.00 0.00 H new ATOM 0 HB THR A 81 6.184 -12.856 -0.760 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.094 -13.235 -2.032 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.515 -15.054 -1.855 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.793 -14.605 -1.827 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.732 -14.437 -3.330 1.00 0.00 H new