USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=8 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 Set 1.1: A 2 GLN : amide:sc= -0.359 K(o=-0.21,f=-5.7!) USER MOD Set 1.2: A 81 THR OG1 : rot -174:sc= 0.153 USER MOD Single : A 3 HIS : no HD1:sc= -2.37 K(o=-2.4,f=-3.5!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -8.4! C(o=-8.4!,f=-11!) USER MOD Single : A 33 ASN : amide:sc= -0.689 K(o=-0.69,f=0) 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 140:sc= -0.356 USER MOD Single : A 65 HIS : no HE2:sc= -4.93 K(o=-4.9,f=-8.7!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -79:sc= 0.894 USER MOD Single : A 80 THR OG1 : rot -23:sc= 0.5 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 12.759 -6.852 1.399 1.00 0.00 N ATOM 21 CA GLN A 2 13.265 -7.407 0.111 1.00 0.00 C ATOM 22 C GLN A 2 13.202 -6.324 -0.967 1.00 0.00 C ATOM 23 O GLN A 2 14.055 -6.238 -1.828 1.00 0.00 O ATOM 24 CB GLN A 2 12.394 -8.594 -0.308 1.00 0.00 C ATOM 25 CG GLN A 2 12.522 -9.712 0.729 1.00 0.00 C ATOM 26 CD GLN A 2 11.625 -10.885 0.327 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.750 -10.739 -0.501 1.00 0.00 O ATOM 28 NE2 GLN A 2 11.807 -12.051 0.886 1.00 0.00 N ATOM 0 HA GLN A 2 14.296 -7.738 0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.353 -8.282 -0.396 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.702 -8.956 -1.289 1.00 0.00 H new ATOM 0 HG2 GLN A 2 13.559 -10.041 0.799 1.00 0.00 H new ATOM 0 HG3 GLN A 2 12.237 -9.343 1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.543 -12.174 1.582 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.214 -12.839 0.627 1.00 0.00 H new ATOM 37 N HIS A 3 12.197 -5.494 -0.925 1.00 0.00 N ATOM 38 CA HIS A 3 12.074 -4.412 -1.943 1.00 0.00 C ATOM 39 C HIS A 3 11.315 -3.234 -1.332 1.00 0.00 C ATOM 40 O HIS A 3 10.291 -2.816 -1.832 1.00 0.00 O ATOM 41 CB HIS A 3 11.306 -4.939 -3.157 1.00 0.00 C ATOM 42 CG HIS A 3 11.966 -6.192 -3.664 1.00 0.00 C ATOM 43 ND1 HIS A 3 13.190 -6.171 -4.318 1.00 0.00 N ATOM 44 CD2 HIS A 3 11.586 -7.511 -3.621 1.00 0.00 C ATOM 45 CE1 HIS A 3 13.500 -7.441 -4.640 1.00 0.00 C ATOM 46 NE2 HIS A 3 12.556 -8.293 -4.237 1.00 0.00 N ATOM 0 H HIS A 3 11.453 -5.518 -0.228 1.00 0.00 H new ATOM 0 HA HIS A 3 13.066 -4.087 -2.256 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.271 -5.145 -2.884 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.284 -4.184 -3.943 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.674 -7.883 -3.177 1.00 0.00 H new ATOM 0 HE1 HIS A 3 14.400 -7.733 -5.160 1.00 0.00 H new ATOM 0 HE2 HIS A 3 12.548 -9.306 -4.356 1.00 0.00 H new ATOM 55 N ALA A 4 11.807 -2.699 -0.248 1.00 0.00 N ATOM 56 CA ALA A 4 11.110 -1.555 0.402 1.00 0.00 C ATOM 57 C ALA A 4 11.026 -0.375 -0.568 1.00 0.00 C ATOM 58 O ALA A 4 10.059 0.361 -0.579 1.00 0.00 O ATOM 59 CB ALA A 4 11.886 -1.131 1.651 1.00 0.00 C ATOM 0 H ALA A 4 12.662 -3.006 0.215 1.00 0.00 H new ATOM 0 HA ALA A 4 10.102 -1.862 0.681 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.377 -0.293 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.940 -1.968 2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 4 12.894 -0.829 1.368 1.00 0.00 H new ATOM 65 N SER A 5 12.028 -0.182 -1.381 1.00 0.00 N ATOM 66 CA SER A 5 11.991 0.959 -2.339 1.00 0.00 C ATOM 67 C SER A 5 10.775 0.818 -3.256 1.00 0.00 C ATOM 68 O SER A 5 10.097 1.780 -3.556 1.00 0.00 O ATOM 69 CB SER A 5 13.268 0.962 -3.180 1.00 0.00 C ATOM 70 OG SER A 5 14.398 0.977 -2.317 1.00 0.00 O ATOM 0 H SER A 5 12.866 -0.761 -1.424 1.00 0.00 H new ATOM 0 HA SER A 5 11.920 1.895 -1.785 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.297 0.081 -3.821 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.284 1.833 -3.835 1.00 0.00 H new ATOM 0 HG SER A 5 15.219 0.977 -2.853 1.00 0.00 H new ATOM 76 N VAL A 6 10.488 -0.375 -3.696 1.00 0.00 N ATOM 77 CA VAL A 6 9.310 -0.577 -4.584 1.00 0.00 C ATOM 78 C VAL A 6 8.032 -0.302 -3.793 1.00 0.00 C ATOM 79 O VAL A 6 7.076 0.248 -4.303 1.00 0.00 O ATOM 80 CB VAL A 6 9.293 -2.017 -5.094 1.00 0.00 C ATOM 81 CG1 VAL A 6 7.981 -2.280 -5.837 1.00 0.00 C ATOM 82 CG2 VAL A 6 10.469 -2.233 -6.048 1.00 0.00 C ATOM 0 H VAL A 6 11.018 -1.219 -3.479 1.00 0.00 H new ATOM 0 HA VAL A 6 9.371 0.105 -5.432 1.00 0.00 H new ATOM 0 HB VAL A 6 9.377 -2.702 -4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.969 -3.307 -6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.142 -2.125 -5.159 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.897 -1.595 -6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.458 -3.260 -6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.384 -1.548 -6.891 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.404 -2.045 -5.521 1.00 0.00 H new ATOM 92 N ILE A 7 8.010 -0.691 -2.551 1.00 0.00 N ATOM 93 CA ILE A 7 6.800 -0.467 -1.715 1.00 0.00 C ATOM 94 C ILE A 7 6.490 1.028 -1.629 1.00 0.00 C ATOM 95 O ILE A 7 5.345 1.435 -1.675 1.00 0.00 O ATOM 96 CB ILE A 7 7.053 -1.018 -0.315 1.00 0.00 C ATOM 97 CG1 ILE A 7 7.313 -2.523 -0.411 1.00 0.00 C ATOM 98 CG2 ILE A 7 5.828 -0.766 0.565 1.00 0.00 C ATOM 99 CD1 ILE A 7 7.707 -3.067 0.962 1.00 0.00 C ATOM 0 H ILE A 7 8.783 -1.157 -2.076 1.00 0.00 H new ATOM 0 HA ILE A 7 5.949 -0.977 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 7 7.918 -0.521 0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.420 -3.034 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.107 -2.719 -1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.011 -1.160 1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.639 0.306 0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.960 -1.263 0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.891 -4.139 0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.612 -2.566 1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.899 -2.885 1.671 1.00 0.00 H new ATOM 111 N ALA A 8 7.492 1.853 -1.501 1.00 0.00 N ATOM 112 CA ALA A 8 7.232 3.317 -1.411 1.00 0.00 C ATOM 113 C ALA A 8 6.592 3.796 -2.710 1.00 0.00 C ATOM 114 O ALA A 8 5.576 4.461 -2.707 1.00 0.00 O ATOM 115 CB ALA A 8 8.550 4.060 -1.191 1.00 0.00 C ATOM 0 H ALA A 8 8.474 1.579 -1.455 1.00 0.00 H new ATOM 0 HA ALA A 8 6.561 3.516 -0.575 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.357 5.131 -1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.011 3.717 -0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.223 3.863 -2.026 1.00 0.00 H new ATOM 121 N GLN A 9 7.174 3.454 -3.823 1.00 0.00 N ATOM 122 CA GLN A 9 6.592 3.880 -5.122 1.00 0.00 C ATOM 123 C GLN A 9 5.284 3.123 -5.367 1.00 0.00 C ATOM 124 O GLN A 9 4.355 3.641 -5.948 1.00 0.00 O ATOM 125 CB GLN A 9 7.605 3.624 -6.251 1.00 0.00 C ATOM 126 CG GLN A 9 7.334 2.281 -6.931 1.00 0.00 C ATOM 127 CD GLN A 9 6.168 2.422 -7.911 1.00 0.00 C ATOM 128 OE1 GLN A 9 6.109 3.368 -8.670 1.00 0.00 O ATOM 129 NE2 GLN A 9 5.232 1.512 -7.928 1.00 0.00 N ATOM 0 H GLN A 9 8.027 2.898 -3.889 1.00 0.00 H new ATOM 0 HA GLN A 9 6.371 4.947 -5.100 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.547 4.427 -6.986 1.00 0.00 H new ATOM 0 HB3 GLN A 9 8.617 3.634 -5.847 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.226 1.944 -7.459 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.102 1.524 -6.182 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.282 0.717 -7.290 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.451 1.596 -8.579 1.00 0.00 H new ATOM 138 N PHE A 10 5.204 1.897 -4.929 1.00 0.00 N ATOM 139 CA PHE A 10 3.957 1.110 -5.142 1.00 0.00 C ATOM 140 C PHE A 10 2.809 1.725 -4.341 1.00 0.00 C ATOM 141 O PHE A 10 1.749 1.998 -4.866 1.00 0.00 O ATOM 142 CB PHE A 10 4.192 -0.328 -4.678 1.00 0.00 C ATOM 143 CG PHE A 10 3.003 -1.185 -5.041 1.00 0.00 C ATOM 144 CD1 PHE A 10 2.007 -1.440 -4.091 1.00 0.00 C ATOM 145 CD2 PHE A 10 2.902 -1.729 -6.327 1.00 0.00 C ATOM 146 CE1 PHE A 10 0.909 -2.241 -4.428 1.00 0.00 C ATOM 147 CE2 PHE A 10 1.805 -2.529 -6.663 1.00 0.00 C ATOM 148 CZ PHE A 10 0.809 -2.785 -5.714 1.00 0.00 C ATOM 0 H PHE A 10 5.948 1.406 -4.433 1.00 0.00 H new ATOM 0 HA PHE A 10 3.695 1.121 -6.200 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.094 -0.727 -5.142 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.352 -0.350 -3.600 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.085 -1.019 -3.099 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.671 -1.531 -7.059 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.140 -2.439 -3.696 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.727 -2.949 -7.655 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.038 -3.403 -5.974 1.00 0.00 H new ATOM 158 N VAL A 11 3.010 1.942 -3.074 1.00 0.00 N ATOM 159 CA VAL A 11 1.927 2.535 -2.239 1.00 0.00 C ATOM 160 C VAL A 11 1.719 4.005 -2.613 1.00 0.00 C ATOM 161 O VAL A 11 0.608 4.496 -2.642 1.00 0.00 O ATOM 162 CB VAL A 11 2.312 2.436 -0.762 1.00 0.00 C ATOM 163 CG1 VAL A 11 3.372 3.490 -0.437 1.00 0.00 C ATOM 164 CG2 VAL A 11 1.073 2.677 0.104 1.00 0.00 C ATOM 0 H VAL A 11 3.877 1.735 -2.578 1.00 0.00 H new ATOM 0 HA VAL A 11 1.001 1.988 -2.416 1.00 0.00 H new ATOM 0 HB VAL A 11 2.713 1.443 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.645 3.418 0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.255 3.320 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.972 4.483 -0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.346 2.607 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.673 3.670 -0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.317 1.926 -0.126 1.00 0.00 H new ATOM 174 N VAL A 12 2.779 4.715 -2.884 1.00 0.00 N ATOM 175 CA VAL A 12 2.643 6.157 -3.235 1.00 0.00 C ATOM 176 C VAL A 12 1.888 6.322 -4.559 1.00 0.00 C ATOM 177 O VAL A 12 1.041 7.182 -4.691 1.00 0.00 O ATOM 178 CB VAL A 12 4.031 6.783 -3.351 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.904 8.231 -3.827 1.00 0.00 C ATOM 180 CG2 VAL A 12 4.715 6.758 -1.983 1.00 0.00 C ATOM 0 H VAL A 12 3.735 4.359 -2.878 1.00 0.00 H new ATOM 0 HA VAL A 12 2.077 6.659 -2.450 1.00 0.00 H new ATOM 0 HB VAL A 12 4.624 6.216 -4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.896 8.675 -3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.415 8.252 -4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.310 8.799 -3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.706 7.204 -2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.119 7.325 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.808 5.727 -1.642 1.00 0.00 H new ATOM 190 N GLU A 13 2.179 5.508 -5.538 1.00 0.00 N ATOM 191 CA GLU A 13 1.469 5.634 -6.845 1.00 0.00 C ATOM 192 C GLU A 13 -0.038 5.557 -6.625 1.00 0.00 C ATOM 193 O GLU A 13 -0.814 6.105 -7.384 1.00 0.00 O ATOM 194 CB GLU A 13 1.911 4.516 -7.787 1.00 0.00 C ATOM 195 CG GLU A 13 3.233 4.898 -8.452 1.00 0.00 C ATOM 196 CD GLU A 13 3.656 3.794 -9.421 1.00 0.00 C ATOM 197 OE1 GLU A 13 4.546 4.041 -10.218 1.00 0.00 O ATOM 198 OE2 GLU A 13 3.083 2.719 -9.351 1.00 0.00 O ATOM 0 H GLU A 13 2.875 4.764 -5.490 1.00 0.00 H new ATOM 0 HA GLU A 13 1.717 6.597 -7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.027 3.585 -7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.148 4.343 -8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.124 5.842 -8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.003 5.047 -7.695 1.00 0.00 H new ATOM 205 N GLU A 14 -0.462 4.890 -5.593 1.00 0.00 N ATOM 206 CA GLU A 14 -1.921 4.791 -5.331 1.00 0.00 C ATOM 207 C GLU A 14 -2.467 6.184 -5.003 1.00 0.00 C ATOM 208 O GLU A 14 -3.623 6.477 -5.238 1.00 0.00 O ATOM 209 CB GLU A 14 -2.165 3.845 -4.153 1.00 0.00 C ATOM 210 CG GLU A 14 -3.666 3.611 -3.993 1.00 0.00 C ATOM 211 CD GLU A 14 -3.921 2.717 -2.779 1.00 0.00 C ATOM 212 OE1 GLU A 14 -2.957 2.349 -2.127 1.00 0.00 O ATOM 213 OE2 GLU A 14 -5.074 2.415 -2.522 1.00 0.00 O ATOM 0 H GLU A 14 0.136 4.410 -4.921 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.430 4.400 -6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.654 2.897 -4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.753 4.271 -3.238 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.181 4.564 -3.870 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.069 3.144 -4.892 1.00 0.00 H new ATOM 220 N PHE A 15 -1.645 7.047 -4.465 1.00 0.00 N ATOM 221 CA PHE A 15 -2.122 8.421 -4.128 1.00 0.00 C ATOM 222 C PHE A 15 -0.961 9.418 -4.241 1.00 0.00 C ATOM 223 O PHE A 15 -0.805 10.294 -3.415 1.00 0.00 O ATOM 224 CB PHE A 15 -2.668 8.429 -2.696 1.00 0.00 C ATOM 225 CG PHE A 15 -1.528 8.272 -1.716 1.00 0.00 C ATOM 226 CD1 PHE A 15 -0.979 7.006 -1.479 1.00 0.00 C ATOM 227 CD2 PHE A 15 -1.025 9.390 -1.039 1.00 0.00 C ATOM 228 CE1 PHE A 15 0.074 6.858 -0.569 1.00 0.00 C ATOM 229 CE2 PHE A 15 0.028 9.242 -0.128 1.00 0.00 C ATOM 230 CZ PHE A 15 0.578 7.975 0.107 1.00 0.00 C ATOM 0 H PHE A 15 -0.667 6.860 -4.245 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.910 8.711 -4.823 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.200 9.361 -2.504 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.386 7.620 -2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.368 6.143 -1.999 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.449 10.367 -1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.498 5.881 -0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.416 10.104 0.393 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.390 7.860 0.809 1.00 0.00 H new ATOM 240 N LEU A 16 -0.143 9.295 -5.253 1.00 0.00 N ATOM 241 CA LEU A 16 1.002 10.240 -5.400 1.00 0.00 C ATOM 242 C LEU A 16 0.524 11.559 -6.025 1.00 0.00 C ATOM 243 O LEU A 16 -0.149 11.559 -7.036 1.00 0.00 O ATOM 244 CB LEU A 16 2.102 9.602 -6.274 1.00 0.00 C ATOM 245 CG LEU A 16 1.990 10.017 -7.753 1.00 0.00 C ATOM 246 CD1 LEU A 16 3.129 9.364 -8.537 1.00 0.00 C ATOM 247 CD2 LEU A 16 0.656 9.548 -8.343 1.00 0.00 C ATOM 0 H LEU A 16 -0.218 8.584 -5.981 1.00 0.00 H new ATOM 0 HA LEU A 16 1.414 10.452 -4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.080 9.892 -5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.039 8.516 -6.198 1.00 0.00 H new ATOM 0 HG LEU A 16 2.048 11.103 -7.821 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.060 9.651 -9.586 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.086 9.695 -8.133 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.055 8.280 -8.452 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.594 9.850 -9.389 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.590 8.462 -8.274 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.166 9.998 -7.786 1.00 0.00 H new ATOM 301 N ALA A 20 7.141 13.178 -7.595 1.00 0.00 N ATOM 302 CA ALA A 20 7.574 11.767 -7.812 1.00 0.00 C ATOM 303 C ALA A 20 7.794 11.082 -6.451 1.00 0.00 C ATOM 304 O ALA A 20 8.292 11.694 -5.529 1.00 0.00 O ATOM 305 CB ALA A 20 8.885 11.757 -8.599 1.00 0.00 C ATOM 0 HA ALA A 20 6.805 11.232 -8.369 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.205 10.728 -8.760 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.735 12.245 -9.562 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.651 12.291 -8.037 1.00 0.00 H new ATOM 311 N PRO A 21 7.440 9.819 -6.319 1.00 0.00 N ATOM 312 CA PRO A 21 7.629 9.076 -5.039 1.00 0.00 C ATOM 313 C PRO A 21 9.052 9.228 -4.494 1.00 0.00 C ATOM 314 O PRO A 21 9.275 9.237 -3.300 1.00 0.00 O ATOM 315 CB PRO A 21 7.371 7.612 -5.402 1.00 0.00 C ATOM 316 CG PRO A 21 6.614 7.617 -6.691 1.00 0.00 C ATOM 317 CD PRO A 21 6.825 8.976 -7.359 1.00 0.00 C ATOM 0 HA PRO A 21 6.963 9.453 -4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.310 7.068 -5.506 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.799 7.114 -4.619 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.963 6.815 -7.341 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.553 7.442 -6.511 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.472 8.891 -8.232 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.881 9.398 -7.702 1.00 0.00 H new ATOM 325 N ALA A 22 10.013 9.345 -5.366 1.00 0.00 N ATOM 326 CA ALA A 22 11.424 9.497 -4.911 1.00 0.00 C ATOM 327 C ALA A 22 11.584 10.823 -4.167 1.00 0.00 C ATOM 328 O ALA A 22 12.464 10.985 -3.345 1.00 0.00 O ATOM 329 CB ALA A 22 12.350 9.482 -6.129 1.00 0.00 C ATOM 0 H ALA A 22 9.883 9.342 -6.378 1.00 0.00 H new ATOM 0 HA ALA A 22 11.682 8.675 -4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.384 9.593 -5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.237 8.537 -6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.090 10.305 -6.794 1.00 0.00 H new ATOM 335 N ASP A 23 10.740 11.775 -4.453 1.00 0.00 N ATOM 336 CA ASP A 23 10.840 13.094 -3.769 1.00 0.00 C ATOM 337 C ASP A 23 9.834 13.149 -2.620 1.00 0.00 C ATOM 338 O ASP A 23 9.645 14.173 -1.994 1.00 0.00 O ATOM 339 CB ASP A 23 10.539 14.211 -4.769 1.00 0.00 C ATOM 340 CG ASP A 23 11.654 14.274 -5.815 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.467 14.952 -6.812 1.00 0.00 O ATOM 342 OD2 ASP A 23 12.676 13.642 -5.601 1.00 0.00 O ATOM 0 H ASP A 23 9.984 11.696 -5.133 1.00 0.00 H new ATOM 0 HA ASP A 23 11.848 13.224 -3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.580 14.030 -5.255 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.458 15.166 -4.250 1.00 0.00 H new ATOM 347 N VAL A 24 9.189 12.051 -2.335 1.00 0.00 N ATOM 348 CA VAL A 24 8.199 12.036 -1.223 1.00 0.00 C ATOM 349 C VAL A 24 8.821 11.335 -0.017 1.00 0.00 C ATOM 350 O VAL A 24 9.442 10.298 -0.142 1.00 0.00 O ATOM 351 CB VAL A 24 6.944 11.278 -1.660 1.00 0.00 C ATOM 352 CG1 VAL A 24 5.904 11.324 -0.539 1.00 0.00 C ATOM 353 CG2 VAL A 24 6.366 11.933 -2.916 1.00 0.00 C ATOM 0 H VAL A 24 9.305 11.164 -2.825 1.00 0.00 H new ATOM 0 HA VAL A 24 7.926 13.058 -0.960 1.00 0.00 H new ATOM 0 HB VAL A 24 7.202 10.241 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.010 10.784 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.315 10.860 0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.646 12.361 -0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.472 11.394 -3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.108 12.970 -2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.106 11.903 -3.716 1.00 0.00 H new ATOM 363 N ASP A 25 8.665 11.892 1.150 1.00 0.00 N ATOM 364 CA ASP A 25 9.256 11.255 2.356 1.00 0.00 C ATOM 365 C ASP A 25 8.462 9.995 2.703 1.00 0.00 C ATOM 366 O ASP A 25 7.547 10.024 3.503 1.00 0.00 O ATOM 367 CB ASP A 25 9.198 12.238 3.528 1.00 0.00 C ATOM 368 CG ASP A 25 10.108 13.432 3.236 1.00 0.00 C ATOM 369 OD1 ASP A 25 9.998 14.422 3.942 1.00 0.00 O ATOM 370 OD2 ASP A 25 10.899 13.338 2.312 1.00 0.00 O ATOM 0 H ASP A 25 8.155 12.759 1.320 1.00 0.00 H new ATOM 0 HA ASP A 25 10.294 10.987 2.159 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.174 12.577 3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.512 11.744 4.447 1.00 0.00 H new ATOM 375 N VAL A 26 8.802 8.886 2.103 1.00 0.00 N ATOM 376 CA VAL A 26 8.064 7.624 2.397 1.00 0.00 C ATOM 377 C VAL A 26 8.253 7.249 3.868 1.00 0.00 C ATOM 378 O VAL A 26 7.725 6.261 4.339 1.00 0.00 O ATOM 379 CB VAL A 26 8.603 6.501 1.510 1.00 0.00 C ATOM 380 CG1 VAL A 26 8.497 6.913 0.041 1.00 0.00 C ATOM 381 CG2 VAL A 26 10.070 6.237 1.859 1.00 0.00 C ATOM 0 H VAL A 26 9.557 8.799 1.423 1.00 0.00 H new ATOM 0 HA VAL A 26 7.003 7.770 2.195 1.00 0.00 H new ATOM 0 HB VAL A 26 8.019 5.596 1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.881 6.112 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.453 7.103 -0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.081 7.818 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.456 5.437 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.652 7.143 1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.148 5.943 2.906 1.00 0.00 H new ATOM 391 N ASP A 27 8.991 8.035 4.603 1.00 0.00 N ATOM 392 CA ASP A 27 9.198 7.729 6.042 1.00 0.00 C ATOM 393 C ASP A 27 8.107 8.427 6.856 1.00 0.00 C ATOM 394 O ASP A 27 8.145 8.462 8.070 1.00 0.00 O ATOM 395 CB ASP A 27 10.578 8.231 6.472 1.00 0.00 C ATOM 396 CG ASP A 27 10.643 9.758 6.361 1.00 0.00 C ATOM 397 OD1 ASP A 27 9.596 10.373 6.250 1.00 0.00 O ATOM 398 OD2 ASP A 27 11.742 10.285 6.389 1.00 0.00 O ATOM 0 H ASP A 27 9.459 8.876 4.266 1.00 0.00 H new ATOM 0 HA ASP A 27 9.144 6.653 6.211 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.781 7.925 7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.348 7.780 5.846 1.00 0.00 H new ATOM 403 N LEU A 28 7.137 8.986 6.186 1.00 0.00 N ATOM 404 CA LEU A 28 6.036 9.691 6.899 1.00 0.00 C ATOM 405 C LEU A 28 4.874 8.730 7.114 1.00 0.00 C ATOM 406 O LEU A 28 4.495 7.989 6.228 1.00 0.00 O ATOM 407 CB LEU A 28 5.560 10.876 6.056 1.00 0.00 C ATOM 408 CG LEU A 28 4.530 11.696 6.842 1.00 0.00 C ATOM 409 CD1 LEU A 28 5.236 12.544 7.905 1.00 0.00 C ATOM 410 CD2 LEU A 28 3.774 12.616 5.880 1.00 0.00 C ATOM 0 H LEU A 28 7.060 8.984 5.169 1.00 0.00 H new ATOM 0 HA LEU A 28 6.399 10.049 7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.408 11.505 5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.119 10.518 5.126 1.00 0.00 H new ATOM 0 HG LEU A 28 3.831 11.018 7.331 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.497 13.123 8.458 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.774 11.892 8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.940 13.222 7.422 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.041 13.200 6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.478 13.289 5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.264 12.015 5.127 1.00 0.00 H new ATOM 422 N ASP A 29 4.299 8.738 8.281 1.00 0.00 N ATOM 423 CA ASP A 29 3.158 7.827 8.540 1.00 0.00 C ATOM 424 C ASP A 29 2.031 8.170 7.568 1.00 0.00 C ATOM 425 O ASP A 29 1.566 9.291 7.511 1.00 0.00 O ATOM 426 CB ASP A 29 2.675 8.008 9.980 1.00 0.00 C ATOM 427 CG ASP A 29 3.768 7.549 10.947 1.00 0.00 C ATOM 428 OD1 ASP A 29 3.657 7.854 12.123 1.00 0.00 O ATOM 429 OD2 ASP A 29 4.697 6.900 10.496 1.00 0.00 O ATOM 0 H ASP A 29 4.570 9.334 9.063 1.00 0.00 H new ATOM 0 HA ASP A 29 3.466 6.791 8.399 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.428 9.054 10.163 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.764 7.432 10.144 1.00 0.00 H new ATOM 434 N LEU A 30 1.600 7.219 6.789 1.00 0.00 N ATOM 435 CA LEU A 30 0.516 7.498 5.808 1.00 0.00 C ATOM 436 C LEU A 30 -0.789 7.800 6.547 1.00 0.00 C ATOM 437 O LEU A 30 -1.804 8.072 5.939 1.00 0.00 O ATOM 438 CB LEU A 30 0.320 6.284 4.894 1.00 0.00 C ATOM 439 CG LEU A 30 1.652 5.915 4.241 1.00 0.00 C ATOM 440 CD1 LEU A 30 1.437 4.762 3.259 1.00 0.00 C ATOM 441 CD2 LEU A 30 2.204 7.126 3.486 1.00 0.00 C ATOM 0 H LEU A 30 1.951 6.261 6.789 1.00 0.00 H new ATOM 0 HA LEU A 30 0.795 8.362 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.061 5.440 5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.422 6.508 4.128 1.00 0.00 H new ATOM 0 HG LEU A 30 2.361 5.611 5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.387 4.499 2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.043 3.898 3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.728 5.067 2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.154 6.863 3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.494 7.429 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.358 7.950 4.183 1.00 0.00 H new ATOM 453 N VAL A 31 -0.776 7.756 7.853 1.00 0.00 N ATOM 454 CA VAL A 31 -2.028 8.044 8.609 1.00 0.00 C ATOM 455 C VAL A 31 -2.592 9.380 8.140 1.00 0.00 C ATOM 456 O VAL A 31 -3.780 9.525 7.927 1.00 0.00 O ATOM 457 CB VAL A 31 -1.725 8.123 10.105 1.00 0.00 C ATOM 458 CG1 VAL A 31 -2.972 8.597 10.854 1.00 0.00 C ATOM 459 CG2 VAL A 31 -1.316 6.744 10.619 1.00 0.00 C ATOM 0 H VAL A 31 0.040 7.535 8.424 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.751 7.248 8.432 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.910 8.828 10.272 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.756 8.653 11.921 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.262 9.582 10.490 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.787 7.893 10.685 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.100 6.803 11.686 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.129 6.037 10.451 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.426 6.407 10.087 1.00 0.00 H new ATOM 469 N ASP A 32 -1.747 10.353 7.958 1.00 0.00 N ATOM 470 CA ASP A 32 -2.239 11.673 7.479 1.00 0.00 C ATOM 471 C ASP A 32 -3.002 11.440 6.178 1.00 0.00 C ATOM 472 O ASP A 32 -4.007 12.066 5.905 1.00 0.00 O ATOM 473 CB ASP A 32 -1.054 12.606 7.224 1.00 0.00 C ATOM 474 CG ASP A 32 -0.380 12.952 8.554 1.00 0.00 C ATOM 475 OD1 ASP A 32 -0.965 12.660 9.584 1.00 0.00 O ATOM 476 OD2 ASP A 32 0.708 13.502 8.519 1.00 0.00 O ATOM 0 H ASP A 32 -0.742 10.293 8.119 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.887 12.133 8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.338 12.128 6.555 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.394 13.516 6.729 1.00 0.00 H new ATOM 481 N ASN A 33 -2.532 10.518 5.386 1.00 0.00 N ATOM 482 CA ASN A 33 -3.217 10.197 4.108 1.00 0.00 C ATOM 483 C ASN A 33 -4.303 9.160 4.389 1.00 0.00 C ATOM 484 O ASN A 33 -4.748 8.454 3.505 1.00 0.00 O ATOM 485 CB ASN A 33 -2.209 9.630 3.114 1.00 0.00 C ATOM 486 CG ASN A 33 -1.103 10.657 2.869 1.00 0.00 C ATOM 487 OD1 ASN A 33 -1.319 11.656 2.213 1.00 0.00 O ATOM 488 ND2 ASN A 33 0.079 10.453 3.379 1.00 0.00 N ATOM 0 H ASN A 33 -1.693 9.968 5.573 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.661 11.098 3.684 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.782 8.705 3.501 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.706 9.384 2.176 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.824 11.133 3.227 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.259 9.614 3.930 1.00 0.00 H new ATOM 495 N GLY A 34 -4.718 9.056 5.625 1.00 0.00 N ATOM 496 CA GLY A 34 -5.765 8.060 5.991 1.00 0.00 C ATOM 497 C GLY A 34 -6.864 8.057 4.931 1.00 0.00 C ATOM 498 O GLY A 34 -7.657 7.143 4.848 1.00 0.00 O ATOM 0 H GLY A 34 -4.373 9.622 6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.323 7.067 6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.187 8.303 6.966 1.00 0.00 H new ATOM 502 N VAL A 35 -6.915 9.062 4.107 1.00 0.00 N ATOM 503 CA VAL A 35 -7.962 9.085 3.050 1.00 0.00 C ATOM 504 C VAL A 35 -7.883 7.773 2.268 1.00 0.00 C ATOM 505 O VAL A 35 -8.882 7.194 1.892 1.00 0.00 O ATOM 506 CB VAL A 35 -7.711 10.262 2.104 1.00 0.00 C ATOM 507 CG1 VAL A 35 -8.613 10.133 0.876 1.00 0.00 C ATOM 508 CG2 VAL A 35 -8.024 11.572 2.829 1.00 0.00 C ATOM 0 H VAL A 35 -6.283 9.863 4.118 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.949 9.197 3.500 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.667 10.259 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.434 10.971 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.392 9.199 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.657 10.136 1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.846 12.411 2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.068 11.574 3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.382 11.666 3.705 1.00 0.00 H new ATOM 518 N ILE A 36 -6.689 7.302 2.030 1.00 0.00 N ATOM 519 CA ILE A 36 -6.510 6.027 1.281 1.00 0.00 C ATOM 520 C ILE A 36 -6.956 4.844 2.148 1.00 0.00 C ATOM 521 O ILE A 36 -7.289 3.789 1.650 1.00 0.00 O ATOM 522 CB ILE A 36 -5.029 5.855 0.948 1.00 0.00 C ATOM 523 CG1 ILE A 36 -4.874 4.894 -0.231 1.00 0.00 C ATOM 524 CG2 ILE A 36 -4.305 5.281 2.167 1.00 0.00 C ATOM 525 CD1 ILE A 36 -3.388 4.621 -0.473 1.00 0.00 C ATOM 0 H ILE A 36 -5.822 7.751 2.326 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.108 6.057 0.370 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.601 6.822 0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.398 3.960 -0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.327 5.322 -1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.247 5.156 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.414 5.964 3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.737 4.314 2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.276 3.936 -1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.878 5.558 -0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.950 4.175 0.420 1.00 0.00 H new ATOM 537 N ASP A 37 -6.938 5.004 3.443 1.00 0.00 N ATOM 538 CA ASP A 37 -7.332 3.879 4.343 1.00 0.00 C ATOM 539 C ASP A 37 -8.793 3.486 4.110 1.00 0.00 C ATOM 540 O ASP A 37 -9.197 2.389 4.439 1.00 0.00 O ATOM 541 CB ASP A 37 -7.147 4.291 5.806 1.00 0.00 C ATOM 542 CG ASP A 37 -5.662 4.513 6.091 1.00 0.00 C ATOM 543 OD1 ASP A 37 -5.354 5.055 7.139 1.00 0.00 O ATOM 544 OD2 ASP A 37 -4.855 4.137 5.256 1.00 0.00 O ATOM 0 H ASP A 37 -6.668 5.865 3.919 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.695 3.023 4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.708 5.203 6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.543 3.518 6.465 1.00 0.00 H new ATOM 549 N SER A 38 -9.598 4.371 3.575 1.00 0.00 N ATOM 550 CA SER A 38 -11.037 4.029 3.359 1.00 0.00 C ATOM 551 C SER A 38 -11.391 4.058 1.868 1.00 0.00 C ATOM 552 O SER A 38 -11.743 3.050 1.289 1.00 0.00 O ATOM 553 CB SER A 38 -11.910 5.038 4.105 1.00 0.00 C ATOM 554 OG SER A 38 -11.807 4.799 5.514 1.00 0.00 O ATOM 0 H SER A 38 -9.323 5.308 3.281 1.00 0.00 H new ATOM 0 HA SER A 38 -11.215 3.022 3.736 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.592 6.054 3.872 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.948 4.947 3.783 1.00 0.00 H new ATOM 0 HG SER A 38 -12.364 5.445 5.997 1.00 0.00 H new ATOM 559 N LEU A 39 -11.323 5.201 1.246 1.00 0.00 N ATOM 560 CA LEU A 39 -11.682 5.278 -0.201 1.00 0.00 C ATOM 561 C LEU A 39 -10.659 4.513 -1.039 1.00 0.00 C ATOM 562 O LEU A 39 -11.007 3.691 -1.863 1.00 0.00 O ATOM 563 CB LEU A 39 -11.708 6.741 -0.645 1.00 0.00 C ATOM 564 CG LEU A 39 -12.914 7.457 -0.028 1.00 0.00 C ATOM 565 CD1 LEU A 39 -12.574 7.931 1.387 1.00 0.00 C ATOM 566 CD2 LEU A 39 -13.279 8.664 -0.894 1.00 0.00 C ATOM 0 H LEU A 39 -11.036 6.082 1.672 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.666 4.832 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.786 7.238 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.758 6.798 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.756 6.767 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.437 8.439 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.312 7.072 2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.730 8.620 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.137 9.177 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.432 9.348 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.529 8.328 -1.900 1.00 0.00 H new ATOM 578 N GLY A 40 -9.402 4.775 -0.834 1.00 0.00 N ATOM 579 CA GLY A 40 -8.355 4.065 -1.615 1.00 0.00 C ATOM 580 C GLY A 40 -8.286 2.609 -1.165 1.00 0.00 C ATOM 581 O GLY A 40 -8.144 1.703 -1.962 1.00 0.00 O ATOM 0 H GLY A 40 -9.052 5.453 -0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.582 4.117 -2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.388 4.548 -1.471 1.00 0.00 H new ATOM 585 N LEU A 41 -8.376 2.382 0.114 1.00 0.00 N ATOM 586 CA LEU A 41 -8.307 0.992 0.633 1.00 0.00 C ATOM 587 C LEU A 41 -9.458 0.173 0.058 1.00 0.00 C ATOM 588 O LEU A 41 -9.293 -0.974 -0.296 1.00 0.00 O ATOM 589 CB LEU A 41 -8.413 1.016 2.159 1.00 0.00 C ATOM 590 CG LEU A 41 -8.136 -0.380 2.726 1.00 0.00 C ATOM 591 CD1 LEU A 41 -7.307 -0.249 4.004 1.00 0.00 C ATOM 592 CD2 LEU A 41 -9.462 -1.069 3.054 1.00 0.00 C ATOM 0 H LEU A 41 -8.495 3.104 0.825 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.360 0.541 0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.701 1.732 2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.407 1.348 2.457 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.590 -0.971 1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.107 -1.240 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.363 0.247 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.859 0.340 4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.266 -2.062 3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.006 -0.479 3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.060 -1.157 2.147 1.00 0.00 H new ATOM 604 N LEU A 42 -10.623 0.749 -0.041 1.00 0.00 N ATOM 605 CA LEU A 42 -11.774 -0.019 -0.593 1.00 0.00 C ATOM 606 C LEU A 42 -11.417 -0.484 -2.002 1.00 0.00 C ATOM 607 O LEU A 42 -11.631 -1.626 -2.366 1.00 0.00 O ATOM 608 CB LEU A 42 -13.012 0.882 -0.646 1.00 0.00 C ATOM 609 CG LEU A 42 -14.231 0.069 -1.090 1.00 0.00 C ATOM 610 CD1 LEU A 42 -14.758 -0.750 0.085 1.00 0.00 C ATOM 611 CD2 LEU A 42 -15.325 1.020 -1.577 1.00 0.00 C ATOM 0 H LEU A 42 -10.828 1.710 0.234 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.988 -0.880 0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.195 1.321 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.843 1.707 -1.338 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.943 -0.603 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.626 -1.328 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -13.979 -1.428 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.046 -0.080 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.194 0.443 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -15.611 1.691 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -14.951 1.604 -2.418 1.00 0.00 H new ATOM 623 N LYS A 43 -10.847 0.382 -2.790 1.00 0.00 N ATOM 624 CA LYS A 43 -10.448 -0.018 -4.161 1.00 0.00 C ATOM 625 C LYS A 43 -9.353 -1.078 -4.058 1.00 0.00 C ATOM 626 O LYS A 43 -9.262 -1.979 -4.869 1.00 0.00 O ATOM 627 CB LYS A 43 -9.919 1.201 -4.909 1.00 0.00 C ATOM 628 CG LYS A 43 -11.047 2.220 -5.090 1.00 0.00 C ATOM 629 CD LYS A 43 -10.523 3.443 -5.848 1.00 0.00 C ATOM 630 CE LYS A 43 -10.290 3.088 -7.320 1.00 0.00 C ATOM 631 NZ LYS A 43 -11.067 4.022 -8.185 1.00 0.00 N ATOM 0 H LYS A 43 -10.641 1.350 -2.542 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.304 -0.422 -4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.094 1.650 -4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.526 0.902 -5.881 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.874 1.768 -5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.436 2.522 -4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.238 4.262 -5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.593 3.789 -5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.228 3.154 -7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.596 2.059 -7.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.909 3.782 -9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.080 3.938 -7.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.754 4.998 -8.010 1.00 0.00 H new ATOM 645 N VAL A 44 -8.514 -0.969 -3.061 1.00 0.00 N ATOM 646 CA VAL A 44 -7.412 -1.958 -2.894 1.00 0.00 C ATOM 647 C VAL A 44 -7.980 -3.351 -2.608 1.00 0.00 C ATOM 648 O VAL A 44 -7.477 -4.338 -3.098 1.00 0.00 O ATOM 649 CB VAL A 44 -6.512 -1.530 -1.735 1.00 0.00 C ATOM 650 CG1 VAL A 44 -5.468 -2.616 -1.469 1.00 0.00 C ATOM 651 CG2 VAL A 44 -5.803 -0.222 -2.096 1.00 0.00 C ATOM 0 H VAL A 44 -8.546 -0.235 -2.354 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.834 -1.996 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.119 -1.382 -0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.827 -2.310 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.970 -3.549 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.862 -2.765 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.161 0.084 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.198 -0.371 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.545 0.554 -2.285 1.00 0.00 H new ATOM 661 N ILE A 45 -9.012 -3.454 -1.816 1.00 0.00 N ATOM 662 CA ILE A 45 -9.571 -4.800 -1.517 1.00 0.00 C ATOM 663 C ILE A 45 -10.008 -5.474 -2.821 1.00 0.00 C ATOM 664 O ILE A 45 -9.650 -6.602 -3.095 1.00 0.00 O ATOM 665 CB ILE A 45 -10.786 -4.662 -0.594 1.00 0.00 C ATOM 666 CG1 ILE A 45 -10.405 -3.908 0.685 1.00 0.00 C ATOM 667 CG2 ILE A 45 -11.290 -6.051 -0.221 1.00 0.00 C ATOM 668 CD1 ILE A 45 -9.138 -4.511 1.295 1.00 0.00 C ATOM 0 H ILE A 45 -9.488 -2.671 -1.367 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.807 -5.403 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.564 -4.104 -1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.243 -2.854 0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.223 -3.959 1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.155 -5.960 0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.576 -6.589 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.500 -6.599 0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.877 -3.967 2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.314 -5.559 1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.319 -4.437 0.580 1.00 0.00 H new ATOM 680 N ALA A 46 -10.778 -4.794 -3.624 1.00 0.00 N ATOM 681 CA ALA A 46 -11.234 -5.403 -4.907 1.00 0.00 C ATOM 682 C ALA A 46 -10.042 -5.576 -5.851 1.00 0.00 C ATOM 683 O ALA A 46 -9.912 -6.575 -6.531 1.00 0.00 O ATOM 684 CB ALA A 46 -12.274 -4.491 -5.562 1.00 0.00 C ATOM 0 H ALA A 46 -11.111 -3.846 -3.449 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.677 -6.378 -4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.608 -4.935 -6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.126 -4.372 -4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.829 -3.516 -5.760 1.00 0.00 H new ATOM 690 N TRP A 47 -9.175 -4.603 -5.904 1.00 0.00 N ATOM 691 CA TRP A 47 -7.993 -4.694 -6.806 1.00 0.00 C ATOM 692 C TRP A 47 -7.016 -5.751 -6.292 1.00 0.00 C ATOM 693 O TRP A 47 -6.468 -6.528 -7.048 1.00 0.00 O ATOM 694 CB TRP A 47 -7.303 -3.336 -6.853 1.00 0.00 C ATOM 695 CG TRP A 47 -5.989 -3.471 -7.545 1.00 0.00 C ATOM 696 CD1 TRP A 47 -5.751 -4.225 -8.640 1.00 0.00 C ATOM 697 CD2 TRP A 47 -4.729 -2.843 -7.197 1.00 0.00 C ATOM 698 NE1 TRP A 47 -4.417 -4.096 -8.986 1.00 0.00 N ATOM 699 CE2 TRP A 47 -3.746 -3.251 -8.125 1.00 0.00 C ATOM 700 CE3 TRP A 47 -4.356 -1.964 -6.173 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -2.430 -2.799 -8.038 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -3.032 -1.505 -6.079 1.00 0.00 C ATOM 703 CH2 TRP A 47 -2.071 -1.921 -7.010 1.00 0.00 C ATOM 0 H TRP A 47 -9.235 -3.744 -5.358 1.00 0.00 H new ATOM 0 HA TRP A 47 -8.321 -4.980 -7.806 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.930 -2.615 -7.378 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.157 -2.955 -5.842 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.481 -4.829 -9.159 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.983 -4.567 -9.780 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.090 -1.637 -5.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.694 -3.124 -8.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -2.753 -0.828 -5.285 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -1.054 -1.564 -6.934 1.00 0.00 H new ATOM 714 N LEU A 48 -6.785 -5.776 -5.012 1.00 0.00 N ATOM 715 CA LEU A 48 -5.835 -6.768 -4.439 1.00 0.00 C ATOM 716 C LEU A 48 -6.313 -8.184 -4.759 1.00 0.00 C ATOM 717 O LEU A 48 -5.534 -9.047 -5.112 1.00 0.00 O ATOM 718 CB LEU A 48 -5.778 -6.578 -2.923 1.00 0.00 C ATOM 719 CG LEU A 48 -4.683 -7.457 -2.335 1.00 0.00 C ATOM 720 CD1 LEU A 48 -3.323 -6.947 -2.801 1.00 0.00 C ATOM 721 CD2 LEU A 48 -4.758 -7.400 -0.810 1.00 0.00 C ATOM 0 H LEU A 48 -7.216 -5.148 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.844 -6.621 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.585 -5.532 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.740 -6.833 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.817 -8.486 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.536 -7.574 -2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.274 -6.983 -3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.185 -5.919 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.976 -8.028 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.619 -6.371 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.732 -7.760 -0.480 1.00 0.00 H new ATOM 733 N GLU A 49 -7.589 -8.430 -4.645 1.00 0.00 N ATOM 734 CA GLU A 49 -8.114 -9.791 -4.950 1.00 0.00 C ATOM 735 C GLU A 49 -7.890 -10.112 -6.428 1.00 0.00 C ATOM 736 O GLU A 49 -7.578 -11.226 -6.788 1.00 0.00 O ATOM 737 CB GLU A 49 -9.611 -9.846 -4.616 1.00 0.00 C ATOM 738 CG GLU A 49 -10.191 -11.197 -5.035 1.00 0.00 C ATOM 739 CD GLU A 49 -11.680 -11.244 -4.686 1.00 0.00 C ATOM 740 OE1 GLU A 49 -12.187 -10.244 -4.204 1.00 0.00 O ATOM 741 OE2 GLU A 49 -12.287 -12.278 -4.907 1.00 0.00 O ATOM 0 H GLU A 49 -8.290 -7.749 -4.354 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.586 -10.530 -4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.759 -9.693 -3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.136 -9.041 -5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.053 -11.348 -6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.662 -12.004 -4.529 1.00 0.00 H new ATOM 748 N ASP A 50 -8.048 -9.152 -7.288 1.00 0.00 N ATOM 749 CA ASP A 50 -7.843 -9.424 -8.737 1.00 0.00 C ATOM 750 C ASP A 50 -6.409 -9.904 -8.984 1.00 0.00 C ATOM 751 O ASP A 50 -6.164 -10.742 -9.828 1.00 0.00 O ATOM 752 CB ASP A 50 -8.096 -8.146 -9.534 1.00 0.00 C ATOM 753 CG ASP A 50 -8.134 -8.475 -11.028 1.00 0.00 C ATOM 754 OD1 ASP A 50 -8.048 -9.645 -11.360 1.00 0.00 O ATOM 755 OD2 ASP A 50 -8.248 -7.549 -11.815 1.00 0.00 O ATOM 0 H ASP A 50 -8.309 -8.194 -7.055 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.538 -10.200 -9.056 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.039 -7.694 -9.226 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.311 -7.417 -9.331 1.00 0.00 H new ATOM 760 N ARG A 51 -5.459 -9.360 -8.275 1.00 0.00 N ATOM 761 CA ARG A 51 -4.040 -9.762 -8.492 1.00 0.00 C ATOM 762 C ARG A 51 -3.736 -11.144 -7.892 1.00 0.00 C ATOM 763 O ARG A 51 -3.134 -11.976 -8.542 1.00 0.00 O ATOM 764 CB ARG A 51 -3.127 -8.721 -7.847 1.00 0.00 C ATOM 765 CG ARG A 51 -3.256 -7.392 -8.595 1.00 0.00 C ATOM 766 CD ARG A 51 -2.248 -6.390 -8.031 1.00 0.00 C ATOM 767 NE ARG A 51 -0.868 -6.818 -8.392 1.00 0.00 N ATOM 768 CZ ARG A 51 0.147 -6.425 -7.671 1.00 0.00 C ATOM 769 NH1 ARG A 51 1.357 -6.797 -7.989 1.00 0.00 N ATOM 770 NH2 ARG A 51 -0.048 -5.660 -6.632 1.00 0.00 N ATOM 0 H ARG A 51 -5.604 -8.653 -7.554 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.865 -9.820 -9.566 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.394 -8.587 -6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.093 -9.065 -7.871 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.078 -7.543 -9.660 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.269 -7.002 -8.493 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.447 -5.395 -8.428 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.349 -6.327 -6.948 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.716 -7.418 -9.203 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.510 -7.395 -8.801 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.150 -6.490 -7.425 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.993 -5.369 -6.383 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.745 -5.353 -6.069 1.00 0.00 H new ATOM 784 N PHE A 52 -4.111 -11.391 -6.659 1.00 0.00 N ATOM 785 CA PHE A 52 -3.795 -12.714 -6.036 1.00 0.00 C ATOM 786 C PHE A 52 -5.064 -13.520 -5.733 1.00 0.00 C ATOM 787 O PHE A 52 -4.991 -14.647 -5.286 1.00 0.00 O ATOM 788 CB PHE A 52 -3.015 -12.480 -4.742 1.00 0.00 C ATOM 789 CG PHE A 52 -1.551 -12.318 -5.070 1.00 0.00 C ATOM 790 CD1 PHE A 52 -0.991 -11.039 -5.172 1.00 0.00 C ATOM 791 CD2 PHE A 52 -0.755 -13.450 -5.282 1.00 0.00 C ATOM 792 CE1 PHE A 52 0.367 -10.894 -5.483 1.00 0.00 C ATOM 793 CE2 PHE A 52 0.600 -13.304 -5.592 1.00 0.00 C ATOM 794 CZ PHE A 52 1.163 -12.027 -5.694 1.00 0.00 C ATOM 0 H PHE A 52 -4.619 -10.738 -6.062 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.199 -13.291 -6.743 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.387 -11.590 -4.234 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.157 -13.319 -4.060 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.605 -10.165 -5.011 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.188 -14.436 -5.206 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.801 -9.908 -5.560 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.213 -14.178 -5.753 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.210 -11.915 -5.935 1.00 0.00 H new ATOM 804 N GLY A 53 -6.221 -12.975 -5.975 1.00 0.00 N ATOM 805 CA GLY A 53 -7.466 -13.750 -5.696 1.00 0.00 C ATOM 806 C GLY A 53 -7.710 -13.817 -4.186 1.00 0.00 C ATOM 807 O GLY A 53 -8.273 -14.770 -3.683 1.00 0.00 O ATOM 0 H GLY A 53 -6.362 -12.037 -6.350 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.316 -13.280 -6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.377 -14.757 -6.104 1.00 0.00 H new ATOM 811 N ILE A 54 -7.296 -12.817 -3.458 1.00 0.00 N ATOM 812 CA ILE A 54 -7.512 -12.833 -1.984 1.00 0.00 C ATOM 813 C ILE A 54 -8.966 -12.457 -1.690 1.00 0.00 C ATOM 814 O ILE A 54 -9.524 -11.578 -2.306 1.00 0.00 O ATOM 815 CB ILE A 54 -6.576 -11.823 -1.321 1.00 0.00 C ATOM 816 CG1 ILE A 54 -5.127 -12.166 -1.677 1.00 0.00 C ATOM 817 CG2 ILE A 54 -6.752 -11.882 0.197 1.00 0.00 C ATOM 818 CD1 ILE A 54 -4.196 -11.073 -1.151 1.00 0.00 C ATOM 0 H ILE A 54 -6.818 -11.991 -3.819 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.303 -13.828 -1.590 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.814 -10.820 -1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.854 -13.129 -1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.020 -12.260 -2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.084 -11.161 0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.784 -11.642 0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.514 -12.885 0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.165 -11.319 -1.406 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.463 -10.118 -1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.295 -11.001 -0.068 1.00 0.00 H new ATOM 830 N ALA A 55 -9.591 -13.121 -0.762 1.00 0.00 N ATOM 831 CA ALA A 55 -11.013 -12.799 -0.457 1.00 0.00 C ATOM 832 C ALA A 55 -11.122 -11.354 0.031 1.00 0.00 C ATOM 833 O ALA A 55 -10.390 -10.922 0.900 1.00 0.00 O ATOM 834 CB ALA A 55 -11.527 -13.744 0.630 1.00 0.00 C ATOM 0 H ALA A 55 -9.183 -13.870 -0.203 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.612 -12.920 -1.360 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.568 -13.509 0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.454 -14.774 0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.926 -13.623 1.531 1.00 0.00 H new ATOM 840 N ALA A 56 -12.036 -10.606 -0.523 1.00 0.00 N ATOM 841 CA ALA A 56 -12.205 -9.189 -0.098 1.00 0.00 C ATOM 842 C ALA A 56 -12.712 -9.152 1.346 1.00 0.00 C ATOM 843 O ALA A 56 -12.465 -8.216 2.082 1.00 0.00 O ATOM 844 CB ALA A 56 -13.221 -8.503 -1.012 1.00 0.00 C ATOM 0 H ALA A 56 -12.675 -10.917 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.249 -8.670 -0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.346 -7.465 -0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.864 -8.534 -2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.178 -9.020 -0.945 1.00 0.00 H new ATOM 924 N SER A 62 -5.840 -3.356 10.323 1.00 0.00 N ATOM 925 CA SER A 62 -6.614 -2.218 10.892 1.00 0.00 C ATOM 926 C SER A 62 -5.849 -0.915 10.646 1.00 0.00 C ATOM 927 O SER A 62 -4.727 -0.930 10.177 1.00 0.00 O ATOM 928 CB SER A 62 -6.798 -2.429 12.395 1.00 0.00 C ATOM 929 OG SER A 62 -6.071 -1.434 13.102 1.00 0.00 O ATOM 0 HA SER A 62 -7.592 -2.163 10.413 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.855 -2.376 12.654 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.449 -3.422 12.680 1.00 0.00 H new ATOM 0 HG SER A 62 -6.598 -1.127 13.869 1.00 0.00 H new ATOM 935 N PRO A 63 -6.447 0.205 10.959 1.00 0.00 N ATOM 936 CA PRO A 63 -5.799 1.533 10.765 1.00 0.00 C ATOM 937 C PRO A 63 -4.397 1.573 11.377 1.00 0.00 C ATOM 938 O PRO A 63 -3.513 2.250 10.889 1.00 0.00 O ATOM 939 CB PRO A 63 -6.725 2.508 11.493 1.00 0.00 C ATOM 940 CG PRO A 63 -8.057 1.836 11.551 1.00 0.00 C ATOM 941 CD PRO A 63 -7.798 0.330 11.529 1.00 0.00 C ATOM 0 HA PRO A 63 -5.669 1.771 9.709 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.353 2.727 12.494 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.789 3.458 10.962 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.594 2.122 12.455 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.676 2.133 10.705 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -7.849 -0.098 12.530 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.537 -0.192 10.921 1.00 0.00 H new ATOM 949 N GLU A 64 -4.187 0.841 12.436 1.00 0.00 N ATOM 950 CA GLU A 64 -2.841 0.821 13.075 1.00 0.00 C ATOM 951 C GLU A 64 -1.841 0.176 12.114 1.00 0.00 C ATOM 952 O GLU A 64 -0.669 0.498 12.107 1.00 0.00 O ATOM 953 CB GLU A 64 -2.902 0.012 14.369 1.00 0.00 C ATOM 954 CG GLU A 64 -3.813 0.714 15.369 1.00 0.00 C ATOM 955 CD GLU A 64 -3.819 -0.057 16.690 1.00 0.00 C ATOM 956 OE1 GLU A 64 -3.276 -1.150 16.716 1.00 0.00 O ATOM 957 OE2 GLU A 64 -4.365 0.457 17.652 1.00 0.00 O ATOM 0 H GLU A 64 -4.890 0.255 12.887 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.527 1.840 13.303 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.275 -0.992 14.165 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.902 -0.098 14.788 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.469 1.735 15.534 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.825 0.779 14.970 1.00 0.00 H new ATOM 964 N HIS A 65 -2.301 -0.738 11.305 1.00 0.00 N ATOM 965 CA HIS A 65 -1.394 -1.419 10.340 1.00 0.00 C ATOM 966 C HIS A 65 -0.921 -0.421 9.280 1.00 0.00 C ATOM 967 O HIS A 65 0.137 -0.570 8.701 1.00 0.00 O ATOM 968 CB HIS A 65 -2.152 -2.563 9.664 1.00 0.00 C ATOM 969 CG HIS A 65 -1.285 -3.192 8.610 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.454 -2.923 7.258 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.238 -4.077 8.689 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.533 -3.635 6.585 1.00 0.00 C ATOM 973 NE2 HIS A 65 0.231 -4.353 7.411 1.00 0.00 N ATOM 0 H HIS A 65 -3.273 -1.044 11.271 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.527 -1.813 10.870 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.440 -3.309 10.405 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.072 -2.188 9.216 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.150 -2.299 6.850 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.159 -4.494 9.603 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.425 -3.627 5.510 1.00 0.00 H new ATOM 982 N PHE A 66 -1.695 0.596 9.021 1.00 0.00 N ATOM 983 CA PHE A 66 -1.289 1.602 7.998 1.00 0.00 C ATOM 984 C PHE A 66 -0.523 2.738 8.677 1.00 0.00 C ATOM 985 O PHE A 66 -0.251 3.761 8.082 1.00 0.00 O ATOM 986 CB PHE A 66 -2.537 2.162 7.314 1.00 0.00 C ATOM 987 CG PHE A 66 -3.252 1.046 6.591 1.00 0.00 C ATOM 988 CD1 PHE A 66 -2.917 0.743 5.266 1.00 0.00 C ATOM 989 CD2 PHE A 66 -4.245 0.311 7.249 1.00 0.00 C ATOM 990 CE1 PHE A 66 -3.577 -0.296 4.599 1.00 0.00 C ATOM 991 CE2 PHE A 66 -4.904 -0.727 6.581 1.00 0.00 C ATOM 992 CZ PHE A 66 -4.570 -1.031 5.256 1.00 0.00 C ATOM 0 H PHE A 66 -2.592 0.775 9.473 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.649 1.129 7.254 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.198 2.615 8.053 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.259 2.947 6.611 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.150 1.310 4.759 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.502 0.545 8.271 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.320 -0.530 3.577 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.671 -1.294 7.088 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.079 -1.833 4.741 1.00 0.00 H new ATOM 1002 N ARG A 67 -0.174 2.565 9.922 1.00 0.00 N ATOM 1003 CA ARG A 67 0.572 3.631 10.646 1.00 0.00 C ATOM 1004 C ARG A 67 1.819 4.017 9.843 1.00 0.00 C ATOM 1005 O ARG A 67 2.210 5.168 9.802 1.00 0.00 O ATOM 1006 CB ARG A 67 0.993 3.106 12.026 1.00 0.00 C ATOM 1007 CG ARG A 67 1.660 4.217 12.845 1.00 0.00 C ATOM 1008 CD ARG A 67 0.593 5.100 13.502 1.00 0.00 C ATOM 1009 NE ARG A 67 1.259 6.176 14.289 1.00 0.00 N ATOM 1010 CZ ARG A 67 0.578 7.221 14.673 1.00 0.00 C ATOM 1011 NH1 ARG A 67 1.161 8.162 15.362 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -0.687 7.321 14.369 1.00 0.00 N ATOM 0 H ARG A 67 -0.374 1.728 10.470 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.066 4.507 10.767 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.121 2.728 12.559 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.682 2.270 11.908 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.303 3.780 13.609 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.297 4.822 12.200 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.053 5.537 12.740 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.043 4.499 14.152 1.00 0.00 H new ATOM 0 HE ARG A 67 2.247 6.096 14.528 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.149 8.081 15.601 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.629 8.979 15.662 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.142 6.583 13.832 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.221 8.137 14.668 1.00 0.00 H new ATOM 1026 N SER A 68 2.446 3.067 9.210 1.00 0.00 N ATOM 1027 CA SER A 68 3.671 3.379 8.415 1.00 0.00 C ATOM 1028 C SER A 68 3.795 2.399 7.245 1.00 0.00 C ATOM 1029 O SER A 68 3.325 1.281 7.307 1.00 0.00 O ATOM 1030 CB SER A 68 4.903 3.259 9.313 1.00 0.00 C ATOM 1031 OG SER A 68 6.053 3.676 8.588 1.00 0.00 O ATOM 0 H SER A 68 2.165 2.086 9.207 1.00 0.00 H new ATOM 0 HA SER A 68 3.598 4.395 8.026 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.779 3.873 10.205 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.024 2.229 9.649 1.00 0.00 H new ATOM 0 HG SER A 68 6.845 3.602 9.160 1.00 0.00 H new ATOM 1037 N ILE A 69 4.428 2.811 6.178 1.00 0.00 N ATOM 1038 CA ILE A 69 4.587 1.906 5.005 1.00 0.00 C ATOM 1039 C ILE A 69 5.448 0.699 5.388 1.00 0.00 C ATOM 1040 O ILE A 69 5.230 -0.402 4.922 1.00 0.00 O ATOM 1041 CB ILE A 69 5.267 2.670 3.868 1.00 0.00 C ATOM 1042 CG1 ILE A 69 6.409 3.514 4.434 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.254 3.587 3.191 1.00 0.00 C ATOM 1044 CD1 ILE A 69 7.656 3.337 3.566 1.00 0.00 C ATOM 0 H ILE A 69 4.842 3.737 6.070 1.00 0.00 H new ATOM 0 HA ILE A 69 3.605 1.558 4.684 1.00 0.00 H new ATOM 0 HB ILE A 69 5.660 1.960 3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.119 4.564 4.462 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.622 3.215 5.460 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.740 4.131 2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.436 2.990 2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.861 4.296 3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.469 3.939 3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.950 2.287 3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.439 3.658 2.547 1.00 0.00 H new ATOM 1056 N ARG A 70 6.434 0.896 6.219 1.00 0.00 N ATOM 1057 CA ARG A 70 7.315 -0.241 6.613 1.00 0.00 C ATOM 1058 C ARG A 70 6.491 -1.330 7.305 1.00 0.00 C ATOM 1059 O ARG A 70 6.723 -2.507 7.113 1.00 0.00 O ATOM 1060 CB ARG A 70 8.395 0.263 7.573 1.00 0.00 C ATOM 1061 CG ARG A 70 9.299 1.261 6.847 1.00 0.00 C ATOM 1062 CD ARG A 70 10.451 1.671 7.767 1.00 0.00 C ATOM 1063 NE ARG A 70 9.900 2.232 9.032 1.00 0.00 N ATOM 1064 CZ ARG A 70 10.689 2.845 9.872 1.00 0.00 C ATOM 1065 NH1 ARG A 70 10.206 3.337 10.980 1.00 0.00 N ATOM 1066 NH2 ARG A 70 11.960 2.966 9.604 1.00 0.00 N ATOM 0 H ARG A 70 6.668 1.794 6.642 1.00 0.00 H new ATOM 0 HA ARG A 70 7.779 -0.658 5.719 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.934 0.738 8.439 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.985 -0.574 7.945 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.691 0.815 5.933 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.725 2.139 6.552 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.082 0.809 7.983 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.080 2.411 7.272 1.00 0.00 H new ATOM 0 HE ARG A 70 8.906 2.137 9.242 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.212 3.242 11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.822 3.816 11.637 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.337 2.582 8.738 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.576 3.445 10.261 1.00 0.00 H new ATOM 1080 N SER A 71 5.532 -0.955 8.104 1.00 0.00 N ATOM 1081 CA SER A 71 4.704 -1.977 8.797 1.00 0.00 C ATOM 1082 C SER A 71 3.947 -2.800 7.755 1.00 0.00 C ATOM 1083 O SER A 71 3.770 -3.994 7.899 1.00 0.00 O ATOM 1084 CB SER A 71 3.709 -1.277 9.720 1.00 0.00 C ATOM 1085 OG SER A 71 2.748 -0.583 8.936 1.00 0.00 O ATOM 0 H SER A 71 5.287 0.014 8.306 1.00 0.00 H new ATOM 0 HA SER A 71 5.343 -2.635 9.386 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.214 -2.007 10.360 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.232 -0.581 10.376 1.00 0.00 H new ATOM 0 HG SER A 71 3.135 0.257 8.613 1.00 0.00 H new ATOM 1091 N ILE A 72 3.505 -2.171 6.701 1.00 0.00 N ATOM 1092 CA ILE A 72 2.770 -2.908 5.645 1.00 0.00 C ATOM 1093 C ILE A 72 3.719 -3.893 4.963 1.00 0.00 C ATOM 1094 O ILE A 72 3.346 -4.996 4.619 1.00 0.00 O ATOM 1095 CB ILE A 72 2.241 -1.908 4.618 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.301 -0.917 5.310 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.479 -2.657 3.531 1.00 0.00 C ATOM 1098 CD1 ILE A 72 0.871 0.160 4.313 1.00 0.00 C ATOM 0 H ILE A 72 3.624 -1.173 6.529 1.00 0.00 H new ATOM 0 HA ILE A 72 1.937 -3.456 6.084 1.00 0.00 H new ATOM 0 HB ILE A 72 3.075 -1.366 4.172 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.426 -1.439 5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.802 -0.459 6.163 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.100 -1.946 2.797 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.147 -3.365 3.040 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.644 -3.197 3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.202 0.865 4.806 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.751 0.689 3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.353 -0.306 3.475 1.00 0.00 H new ATOM 1110 N ASP A 73 4.944 -3.495 4.762 1.00 0.00 N ATOM 1111 CA ASP A 73 5.924 -4.398 4.098 1.00 0.00 C ATOM 1112 C ASP A 73 6.021 -5.715 4.867 1.00 0.00 C ATOM 1113 O ASP A 73 6.099 -6.779 4.285 1.00 0.00 O ATOM 1114 CB ASP A 73 7.297 -3.725 4.085 1.00 0.00 C ATOM 1115 CG ASP A 73 8.272 -4.567 3.260 1.00 0.00 C ATOM 1116 OD1 ASP A 73 7.810 -5.452 2.559 1.00 0.00 O ATOM 1117 OD2 ASP A 73 9.462 -4.313 3.343 1.00 0.00 O ATOM 0 H ASP A 73 5.309 -2.581 5.030 1.00 0.00 H new ATOM 0 HA ASP A 73 5.595 -4.598 3.078 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.218 -2.723 3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.668 -3.614 5.104 1.00 0.00 H new ATOM 1122 N ALA A 74 6.026 -5.657 6.171 1.00 0.00 N ATOM 1123 CA ALA A 74 6.131 -6.914 6.964 1.00 0.00 C ATOM 1124 C ALA A 74 4.876 -7.765 6.773 1.00 0.00 C ATOM 1125 O ALA A 74 4.952 -8.960 6.570 1.00 0.00 O ATOM 1126 CB ALA A 74 6.295 -6.570 8.446 1.00 0.00 C ATOM 0 H ALA A 74 5.962 -4.799 6.719 1.00 0.00 H new ATOM 0 HA ALA A 74 6.997 -7.479 6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.372 -7.489 9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.199 -5.977 8.584 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.431 -5.998 8.785 1.00 0.00 H new ATOM 1132 N PHE A 75 3.722 -7.165 6.840 1.00 0.00 N ATOM 1133 CA PHE A 75 2.470 -7.952 6.666 1.00 0.00 C ATOM 1134 C PHE A 75 2.427 -8.550 5.260 1.00 0.00 C ATOM 1135 O PHE A 75 2.167 -9.723 5.080 1.00 0.00 O ATOM 1136 CB PHE A 75 1.262 -7.039 6.866 1.00 0.00 C ATOM 1137 CG PHE A 75 -0.003 -7.863 6.829 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -0.465 -8.489 7.993 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -0.714 -8.001 5.631 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -1.637 -9.254 7.959 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -1.887 -8.766 5.597 1.00 0.00 C ATOM 1142 CZ PHE A 75 -2.348 -9.392 6.760 1.00 0.00 C ATOM 0 H PHE A 75 3.591 -6.167 7.007 1.00 0.00 H new ATOM 0 HA PHE A 75 2.446 -8.756 7.401 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.341 -6.517 7.820 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.235 -6.277 6.087 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.083 -8.382 8.917 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.358 -7.518 4.733 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.993 -9.738 8.857 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.436 -8.873 4.673 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.252 -9.982 6.733 1.00 0.00 H new ATOM 1152 N VAL A 76 2.680 -7.751 4.259 1.00 0.00 N ATOM 1153 CA VAL A 76 2.651 -8.269 2.870 1.00 0.00 C ATOM 1154 C VAL A 76 3.789 -9.273 2.666 1.00 0.00 C ATOM 1155 O VAL A 76 3.607 -10.314 2.069 1.00 0.00 O ATOM 1156 CB VAL A 76 2.811 -7.098 1.902 1.00 0.00 C ATOM 1157 CG1 VAL A 76 2.938 -7.630 0.480 1.00 0.00 C ATOM 1158 CG2 VAL A 76 1.584 -6.190 1.996 1.00 0.00 C ATOM 0 H VAL A 76 2.906 -6.760 4.348 1.00 0.00 H new ATOM 0 HA VAL A 76 1.702 -8.772 2.684 1.00 0.00 H new ATOM 0 HB VAL A 76 3.705 -6.531 2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.052 -6.795 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.810 -8.280 0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.043 -8.195 0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.696 -5.354 1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.691 -6.758 1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.489 -5.811 3.013 1.00 0.00 H new ATOM 1168 N VAL A 77 4.963 -8.977 3.160 1.00 0.00 N ATOM 1169 CA VAL A 77 6.098 -9.920 2.990 1.00 0.00 C ATOM 1170 C VAL A 77 5.775 -11.244 3.680 1.00 0.00 C ATOM 1171 O VAL A 77 6.072 -12.308 3.176 1.00 0.00 O ATOM 1172 CB VAL A 77 7.349 -9.312 3.619 1.00 0.00 C ATOM 1173 CG1 VAL A 77 8.430 -10.381 3.723 1.00 0.00 C ATOM 1174 CG2 VAL A 77 7.856 -8.163 2.744 1.00 0.00 C ATOM 0 H VAL A 77 5.181 -8.123 3.673 1.00 0.00 H new ATOM 0 HA VAL A 77 6.267 -10.101 1.928 1.00 0.00 H new ATOM 0 HB VAL A 77 7.109 -8.933 4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.325 -9.951 4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.071 -11.202 4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.668 -10.756 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.749 -7.730 3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.097 -8.541 1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.083 -7.399 2.663 1.00 0.00 H new ATOM 1184 N GLY A 78 5.177 -11.185 4.835 1.00 0.00 N ATOM 1185 CA GLY A 78 4.841 -12.436 5.568 1.00 0.00 C ATOM 1186 C GLY A 78 3.947 -13.331 4.705 1.00 0.00 C ATOM 1187 O GLY A 78 4.028 -14.541 4.768 1.00 0.00 O ATOM 0 H GLY A 78 4.905 -10.321 5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.755 -12.968 5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.333 -12.194 6.501 1.00 0.00 H new ATOM 1191 N ALA A 79 3.084 -12.751 3.910 1.00 0.00 N ATOM 1192 CA ALA A 79 2.181 -13.587 3.066 1.00 0.00 C ATOM 1193 C ALA A 79 2.662 -13.609 1.612 1.00 0.00 C ATOM 1194 O ALA A 79 2.791 -14.657 1.011 1.00 0.00 O ATOM 1195 CB ALA A 79 0.766 -13.011 3.119 1.00 0.00 C ATOM 0 H ALA A 79 2.967 -11.743 3.810 1.00 0.00 H new ATOM 0 HA ALA A 79 2.188 -14.606 3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.103 -13.619 2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.410 -13.015 4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.775 -11.988 2.742 1.00 0.00 H new ATOM 1201 N THR A 80 2.915 -12.468 1.034 1.00 0.00 N ATOM 1202 CA THR A 80 3.373 -12.444 -0.386 1.00 0.00 C ATOM 1203 C THR A 80 4.197 -11.183 -0.656 1.00 0.00 C ATOM 1204 O THR A 80 3.874 -10.111 -0.191 1.00 0.00 O ATOM 1205 CB THR A 80 2.151 -12.459 -1.305 1.00 0.00 C ATOM 1206 OG1 THR A 80 1.340 -13.583 -0.995 1.00 0.00 O ATOM 1207 CG2 THR A 80 2.603 -12.540 -2.763 1.00 0.00 C ATOM 0 H THR A 80 2.826 -11.555 1.479 1.00 0.00 H new ATOM 0 HA THR A 80 3.995 -13.319 -0.577 1.00 0.00 H new ATOM 0 HB THR A 80 1.577 -11.544 -1.158 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.885 -14.268 -0.555 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.729 -12.550 -3.415 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.222 -11.675 -3.000 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.180 -13.452 -2.915 1.00 0.00 H new ATOM 1215 N THR A 81 5.252 -11.302 -1.418 1.00 0.00 N ATOM 1216 CA THR A 81 6.091 -10.111 -1.731 1.00 0.00 C ATOM 1217 C THR A 81 6.171 -9.935 -3.252 1.00 0.00 C ATOM 1218 O THR A 81 7.073 -10.436 -3.892 1.00 0.00 O ATOM 1219 CB THR A 81 7.500 -10.325 -1.173 1.00 0.00 C ATOM 1220 OG1 THR A 81 8.432 -9.582 -1.946 1.00 0.00 O ATOM 1221 CG2 THR A 81 7.853 -11.812 -1.233 1.00 0.00 C ATOM 0 H THR A 81 5.569 -12.176 -1.838 1.00 0.00 H new ATOM 0 HA THR A 81 5.649 -9.222 -1.281 1.00 0.00 H new ATOM 0 HB THR A 81 7.537 -9.987 -0.137 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.343 -9.792 -1.651 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.857 -11.964 -0.836 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.137 -12.380 -0.639 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.817 -12.153 -2.268 1.00 0.00 H new