USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 608 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 65 HIS : no HE2:sc= -1.8 K(o=-1.5,f=-3.1!) USER MOD Set 1.2: A 71 SER OG : rot -83:sc= 0.251 USER MOD Set 2.1: A 1 MET CE :methyl -166:sc= -2.25! (180deg=0) USER MOD Set 2.2: A 5 SER OG : rot -120:sc= -2.57! USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.349 (180deg=-1.22) USER MOD Single : A 2 GLN : amide:sc= -1.3 K(o=-1.3,f=-5.8!) USER MOD Single : A 3 HIS : no HD1:sc= -0.0235 X(o=-0.023,f=0) USER MOD Single : A 9 GLN : amide:sc= -0.0538 X(o=-0.054,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.708 X(o=-0.71,f=-0.89) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.02) USER MOD Single : A 62 SER OG : rot 180:sc= -0.402 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0301 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.509 12.641 6.686 1.00 0.00 N ATOM 2 CA MET A 1 -2.668 12.102 5.580 1.00 0.00 C ATOM 3 C MET A 1 -3.383 10.914 4.935 1.00 0.00 C ATOM 4 O MET A 1 -2.759 9.978 4.474 1.00 0.00 O ATOM 5 CB MET A 1 -1.319 11.642 6.138 1.00 0.00 C ATOM 6 CG MET A 1 -1.503 11.114 7.563 1.00 0.00 C ATOM 7 SD MET A 1 0.090 10.546 8.207 1.00 0.00 S ATOM 8 CE MET A 1 -0.515 9.924 9.795 1.00 0.00 C ATOM 0 H1 MET A 1 -2.935 13.269 7.284 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.306 13.177 6.287 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.874 11.854 7.260 1.00 0.00 H new ATOM 0 HA MET A 1 -2.504 12.881 4.835 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.898 10.863 5.503 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.612 12.471 6.136 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.907 11.898 8.203 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.222 10.295 7.569 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.329 9.750 10.463 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.186 10.658 10.241 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.052 8.989 9.639 1.00 0.00 H new ATOM 20 N GLN A 2 -4.688 10.939 4.905 1.00 0.00 N ATOM 21 CA GLN A 2 -5.441 9.808 4.295 1.00 0.00 C ATOM 22 C GLN A 2 -5.025 8.504 4.977 1.00 0.00 C ATOM 23 O GLN A 2 -4.787 7.503 4.332 1.00 0.00 O ATOM 24 CB GLN A 2 -5.128 9.728 2.798 1.00 0.00 C ATOM 25 CG GLN A 2 -5.561 11.028 2.117 1.00 0.00 C ATOM 26 CD GLN A 2 -5.211 10.966 0.629 1.00 0.00 C ATOM 27 OE1 GLN A 2 -4.427 10.137 0.211 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.762 11.816 -0.195 1.00 0.00 N ATOM 0 H GLN A 2 -5.264 11.694 5.277 1.00 0.00 H new ATOM 0 HA GLN A 2 -6.511 9.967 4.428 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.061 9.563 2.647 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.648 8.880 2.352 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -6.633 11.177 2.243 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.064 11.878 2.583 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.420 12.512 0.155 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.534 11.784 -1.189 1.00 0.00 H new ATOM 37 N HIS A 3 -4.925 8.509 6.280 1.00 0.00 N ATOM 38 CA HIS A 3 -4.514 7.271 6.996 1.00 0.00 C ATOM 39 C HIS A 3 -3.302 6.664 6.288 1.00 0.00 C ATOM 40 O HIS A 3 -3.175 5.461 6.173 1.00 0.00 O ATOM 41 CB HIS A 3 -5.666 6.263 6.997 1.00 0.00 C ATOM 42 CG HIS A 3 -6.791 6.772 7.859 1.00 0.00 C ATOM 43 ND1 HIS A 3 -8.066 6.225 7.803 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.851 7.764 8.809 1.00 0.00 C ATOM 45 CE1 HIS A 3 -8.831 6.884 8.694 1.00 0.00 C ATOM 46 NE2 HIS A 3 -8.138 7.829 9.331 1.00 0.00 N ATOM 0 H HIS A 3 -5.110 9.316 6.876 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.256 7.515 8.027 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.021 6.102 5.979 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.318 5.300 7.370 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.026 8.395 9.104 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.875 6.674 8.871 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.480 8.466 10.050 1.00 0.00 H new ATOM 55 N ALA A 4 -2.412 7.489 5.809 1.00 0.00 N ATOM 56 CA ALA A 4 -1.211 6.963 5.104 1.00 0.00 C ATOM 57 C ALA A 4 -0.402 6.085 6.060 1.00 0.00 C ATOM 58 O ALA A 4 0.162 5.083 5.667 1.00 0.00 O ATOM 59 CB ALA A 4 -0.344 8.131 4.629 1.00 0.00 C ATOM 0 H ALA A 4 -2.465 8.505 5.876 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.526 6.371 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.535 7.745 4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -0.919 8.757 3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.029 8.724 5.488 1.00 0.00 H new ATOM 65 N SER A 5 -0.339 6.449 7.311 1.00 0.00 N ATOM 66 CA SER A 5 0.434 5.626 8.280 1.00 0.00 C ATOM 67 C SER A 5 -0.142 4.212 8.313 1.00 0.00 C ATOM 68 O SER A 5 0.579 3.236 8.378 1.00 0.00 O ATOM 69 CB SER A 5 0.339 6.250 9.673 1.00 0.00 C ATOM 70 OG SER A 5 0.766 7.605 9.611 1.00 0.00 O ATOM 0 H SER A 5 -0.788 7.277 7.702 1.00 0.00 H new ATOM 0 HA SER A 5 1.479 5.588 7.973 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.686 6.196 10.039 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.958 5.693 10.376 1.00 0.00 H new ATOM 0 HG SER A 5 1.535 7.733 10.205 1.00 0.00 H new ATOM 76 N VAL A 6 -1.440 4.091 8.256 1.00 0.00 N ATOM 77 CA VAL A 6 -2.062 2.740 8.269 1.00 0.00 C ATOM 78 C VAL A 6 -1.693 2.011 6.981 1.00 0.00 C ATOM 79 O VAL A 6 -1.457 0.821 6.975 1.00 0.00 O ATOM 80 CB VAL A 6 -3.580 2.869 8.367 1.00 0.00 C ATOM 81 CG1 VAL A 6 -4.222 1.488 8.217 1.00 0.00 C ATOM 82 CG2 VAL A 6 -3.955 3.460 9.727 1.00 0.00 C ATOM 0 H VAL A 6 -2.096 4.870 8.201 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.698 2.179 9.129 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.940 3.524 7.574 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.306 1.581 8.287 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.956 1.066 7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.862 0.832 9.009 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.039 3.552 9.797 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.594 2.805 10.520 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.499 4.444 9.834 1.00 0.00 H new ATOM 92 N ILE A 7 -1.643 2.715 5.887 1.00 0.00 N ATOM 93 CA ILE A 7 -1.286 2.060 4.600 1.00 0.00 C ATOM 94 C ILE A 7 0.116 1.459 4.714 1.00 0.00 C ATOM 95 O ILE A 7 0.334 0.301 4.422 1.00 0.00 O ATOM 96 CB ILE A 7 -1.303 3.104 3.482 1.00 0.00 C ATOM 97 CG1 ILE A 7 -2.706 3.707 3.374 1.00 0.00 C ATOM 98 CG2 ILE A 7 -0.929 2.440 2.156 1.00 0.00 C ATOM 99 CD1 ILE A 7 -2.693 4.857 2.365 1.00 0.00 C ATOM 0 H ILE A 7 -1.834 3.715 5.828 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.004 1.272 4.374 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.583 3.891 3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.418 2.943 3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.034 4.068 4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.941 3.185 1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.069 2.009 2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.648 1.653 1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.692 5.286 2.289 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.993 5.624 2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.384 4.482 1.389 1.00 0.00 H new ATOM 111 N ALA A 8 1.066 2.240 5.151 1.00 0.00 N ATOM 112 CA ALA A 8 2.455 1.718 5.301 1.00 0.00 C ATOM 113 C ALA A 8 2.473 0.632 6.375 1.00 0.00 C ATOM 114 O ALA A 8 3.014 -0.438 6.186 1.00 0.00 O ATOM 115 CB ALA A 8 3.387 2.858 5.714 1.00 0.00 C ATOM 0 H ALA A 8 0.940 3.218 5.411 1.00 0.00 H new ATOM 0 HA ALA A 8 2.792 1.300 4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.402 2.476 5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.372 3.635 4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.052 3.276 6.663 1.00 0.00 H new ATOM 121 N GLN A 9 1.879 0.905 7.501 1.00 0.00 N ATOM 122 CA GLN A 9 1.851 -0.103 8.597 1.00 0.00 C ATOM 123 C GLN A 9 1.084 -1.338 8.129 1.00 0.00 C ATOM 124 O GLN A 9 1.497 -2.459 8.344 1.00 0.00 O ATOM 125 CB GLN A 9 1.145 0.502 9.812 1.00 0.00 C ATOM 126 CG GLN A 9 1.190 -0.482 10.981 1.00 0.00 C ATOM 127 CD GLN A 9 -0.194 -0.568 11.623 1.00 0.00 C ATOM 128 OE1 GLN A 9 -0.366 -0.227 12.776 1.00 0.00 O ATOM 129 NE2 GLN A 9 -1.197 -1.011 10.914 1.00 0.00 N ATOM 0 H GLN A 9 1.410 1.786 7.711 1.00 0.00 H new ATOM 0 HA GLN A 9 2.869 -0.387 8.864 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.626 1.438 10.094 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.110 0.738 9.563 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.503 -1.466 10.631 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.925 -0.157 11.717 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.050 -1.297 9.946 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.127 -1.071 11.328 1.00 0.00 H new ATOM 138 N PHE A 10 -0.029 -1.134 7.491 1.00 0.00 N ATOM 139 CA PHE A 10 -0.840 -2.282 7.003 1.00 0.00 C ATOM 140 C PHE A 10 -0.063 -3.032 5.922 1.00 0.00 C ATOM 141 O PHE A 10 0.060 -4.241 5.952 1.00 0.00 O ATOM 142 CB PHE A 10 -2.152 -1.754 6.419 1.00 0.00 C ATOM 143 CG PHE A 10 -3.047 -2.910 6.045 1.00 0.00 C ATOM 144 CD1 PHE A 10 -3.066 -3.382 4.728 1.00 0.00 C ATOM 145 CD2 PHE A 10 -3.857 -3.507 7.016 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.897 -4.452 4.382 1.00 0.00 C ATOM 147 CE2 PHE A 10 -4.688 -4.579 6.671 1.00 0.00 C ATOM 148 CZ PHE A 10 -4.709 -5.051 5.353 1.00 0.00 C ATOM 0 H PHE A 10 -0.417 -0.214 7.284 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.053 -2.961 7.829 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.653 -1.115 7.146 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.949 -1.140 5.541 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.439 -2.920 3.979 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.841 -3.141 8.032 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.913 -4.817 3.366 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.313 -5.042 7.421 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.351 -5.877 5.085 1.00 0.00 H new ATOM 158 N VAL A 11 0.463 -2.321 4.968 1.00 0.00 N ATOM 159 CA VAL A 11 1.236 -2.980 3.880 1.00 0.00 C ATOM 160 C VAL A 11 2.525 -3.570 4.454 1.00 0.00 C ATOM 161 O VAL A 11 2.896 -4.689 4.161 1.00 0.00 O ATOM 162 CB VAL A 11 1.584 -1.942 2.813 1.00 0.00 C ATOM 163 CG1 VAL A 11 2.422 -2.595 1.715 1.00 0.00 C ATOM 164 CG2 VAL A 11 0.294 -1.382 2.210 1.00 0.00 C ATOM 0 H VAL A 11 0.391 -1.306 4.894 1.00 0.00 H new ATOM 0 HA VAL A 11 0.639 -3.777 3.438 1.00 0.00 H new ATOM 0 HB VAL A 11 2.155 -1.132 3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.669 -1.853 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.341 -2.992 2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.855 -3.406 1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.540 -0.642 1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.278 -2.192 1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.300 -0.913 2.994 1.00 0.00 H new ATOM 174 N VAL A 12 3.206 -2.820 5.273 1.00 0.00 N ATOM 175 CA VAL A 12 4.472 -3.318 5.877 1.00 0.00 C ATOM 176 C VAL A 12 4.171 -4.519 6.780 1.00 0.00 C ATOM 177 O VAL A 12 4.951 -5.445 6.880 1.00 0.00 O ATOM 178 CB VAL A 12 5.116 -2.196 6.690 1.00 0.00 C ATOM 179 CG1 VAL A 12 6.396 -2.705 7.356 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.462 -1.030 5.761 1.00 0.00 C ATOM 0 H VAL A 12 2.938 -1.876 5.552 1.00 0.00 H new ATOM 0 HA VAL A 12 5.159 -3.631 5.091 1.00 0.00 H new ATOM 0 HB VAL A 12 4.417 -1.863 7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.850 -1.900 7.934 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.156 -3.537 8.018 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.095 -3.041 6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.922 -0.228 6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.158 -1.370 4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.553 -0.660 5.287 1.00 0.00 H new ATOM 190 N GLU A 13 3.048 -4.504 7.444 1.00 0.00 N ATOM 191 CA GLU A 13 2.695 -5.637 8.350 1.00 0.00 C ATOM 192 C GLU A 13 2.724 -6.955 7.574 1.00 0.00 C ATOM 193 O GLU A 13 3.006 -8.002 8.123 1.00 0.00 O ATOM 194 CB GLU A 13 1.295 -5.419 8.919 1.00 0.00 C ATOM 195 CG GLU A 13 0.974 -6.521 9.925 1.00 0.00 C ATOM 196 CD GLU A 13 -0.467 -6.361 10.417 1.00 0.00 C ATOM 197 OE1 GLU A 13 -1.134 -5.453 9.950 1.00 0.00 O ATOM 198 OE2 GLU A 13 -0.877 -7.150 11.253 1.00 0.00 O ATOM 0 H GLU A 13 2.357 -3.755 7.399 1.00 0.00 H new ATOM 0 HA GLU A 13 3.420 -5.681 9.163 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.235 -4.443 9.402 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.560 -5.422 8.114 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.105 -7.499 9.463 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.664 -6.472 10.767 1.00 0.00 H new ATOM 205 N GLU A 14 2.429 -6.918 6.304 1.00 0.00 N ATOM 206 CA GLU A 14 2.435 -8.177 5.505 1.00 0.00 C ATOM 207 C GLU A 14 3.860 -8.730 5.424 1.00 0.00 C ATOM 208 O GLU A 14 4.066 -9.926 5.347 1.00 0.00 O ATOM 209 CB GLU A 14 1.916 -7.889 4.095 1.00 0.00 C ATOM 210 CG GLU A 14 0.450 -7.461 4.168 1.00 0.00 C ATOM 211 CD GLU A 14 -0.093 -7.255 2.753 1.00 0.00 C ATOM 212 OE1 GLU A 14 0.696 -7.306 1.824 1.00 0.00 O ATOM 213 OE2 GLU A 14 -1.288 -7.048 2.622 1.00 0.00 O ATOM 0 H GLU A 14 2.185 -6.074 5.786 1.00 0.00 H new ATOM 0 HA GLU A 14 1.791 -8.913 5.986 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.512 -7.104 3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.016 -8.777 3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.136 -8.220 4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.358 -6.539 4.742 1.00 0.00 H new ATOM 220 N PHE A 15 4.846 -7.876 5.439 1.00 0.00 N ATOM 221 CA PHE A 15 6.253 -8.364 5.360 1.00 0.00 C ATOM 222 C PHE A 15 7.151 -7.493 6.243 1.00 0.00 C ATOM 223 O PHE A 15 8.218 -7.078 5.839 1.00 0.00 O ATOM 224 CB PHE A 15 6.733 -8.293 3.907 1.00 0.00 C ATOM 225 CG PHE A 15 6.809 -6.850 3.466 1.00 0.00 C ATOM 226 CD1 PHE A 15 8.045 -6.191 3.427 1.00 0.00 C ATOM 227 CD2 PHE A 15 5.643 -6.168 3.101 1.00 0.00 C ATOM 228 CE1 PHE A 15 8.113 -4.853 3.022 1.00 0.00 C ATOM 229 CE2 PHE A 15 5.710 -4.830 2.695 1.00 0.00 C ATOM 230 CZ PHE A 15 6.945 -4.174 2.655 1.00 0.00 C ATOM 0 H PHE A 15 4.739 -6.864 5.502 1.00 0.00 H new ATOM 0 HA PHE A 15 6.301 -9.395 5.709 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.712 -8.764 3.814 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.051 -8.845 3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.946 -6.716 3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.690 -6.675 3.133 1.00 0.00 H new ATOM 0 HE1 PHE A 15 9.066 -4.345 2.993 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.809 -4.305 2.413 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.997 -3.142 2.341 1.00 0.00 H new ATOM 240 N LEU A 16 6.730 -7.209 7.446 1.00 0.00 N ATOM 241 CA LEU A 16 7.564 -6.362 8.343 1.00 0.00 C ATOM 242 C LEU A 16 8.667 -7.207 8.994 1.00 0.00 C ATOM 243 O LEU A 16 8.415 -8.294 9.472 1.00 0.00 O ATOM 244 CB LEU A 16 6.678 -5.717 9.427 1.00 0.00 C ATOM 245 CG LEU A 16 6.667 -6.532 10.734 1.00 0.00 C ATOM 246 CD1 LEU A 16 5.766 -5.826 11.750 1.00 0.00 C ATOM 247 CD2 LEU A 16 6.118 -7.942 10.488 1.00 0.00 C ATOM 0 H LEU A 16 5.847 -7.527 7.845 1.00 0.00 H new ATOM 0 HA LEU A 16 8.032 -5.574 7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.036 -4.708 9.633 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.659 -5.623 9.052 1.00 0.00 H new ATOM 0 HG LEU A 16 7.688 -6.609 11.109 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.751 -6.395 12.680 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.151 -4.825 11.943 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.754 -5.755 11.351 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.119 -8.501 11.424 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.099 -7.874 10.107 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.745 -8.455 9.759 1.00 0.00 H new ATOM 259 N PRO A 17 9.879 -6.707 9.044 1.00 0.00 N ATOM 260 CA PRO A 17 11.008 -7.429 9.686 1.00 0.00 C ATOM 261 C PRO A 17 10.920 -7.308 11.211 1.00 0.00 C ATOM 262 O PRO A 17 9.848 -7.158 11.764 1.00 0.00 O ATOM 263 CB PRO A 17 12.243 -6.702 9.147 1.00 0.00 C ATOM 264 CG PRO A 17 11.782 -5.306 8.903 1.00 0.00 C ATOM 265 CD PRO A 17 10.315 -5.404 8.498 1.00 0.00 C ATOM 0 HA PRO A 17 11.019 -8.497 9.469 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.063 -6.729 9.864 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.607 -7.165 8.230 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.898 -4.696 9.799 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.372 -4.834 8.117 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.731 -4.582 8.912 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.196 -5.365 7.415 1.00 0.00 H new ATOM 273 N ASP A 18 12.023 -7.351 11.897 1.00 0.00 N ATOM 274 CA ASP A 18 11.978 -7.217 13.374 1.00 0.00 C ATOM 275 C ASP A 18 11.813 -5.737 13.729 1.00 0.00 C ATOM 276 O ASP A 18 11.977 -5.336 14.864 1.00 0.00 O ATOM 277 CB ASP A 18 13.280 -7.746 13.969 1.00 0.00 C ATOM 278 CG ASP A 18 13.364 -9.258 13.754 1.00 0.00 C ATOM 279 OD1 ASP A 18 12.359 -9.841 13.384 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.433 -9.808 13.963 1.00 0.00 O ATOM 0 H ASP A 18 12.954 -7.473 11.499 1.00 0.00 H new ATOM 0 HA ASP A 18 11.142 -7.788 13.777 1.00 0.00 H new ATOM 0 HB2 ASP A 18 14.132 -7.254 13.501 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.325 -7.517 15.034 1.00 0.00 H new ATOM 285 N VAL A 19 11.499 -4.923 12.753 1.00 0.00 N ATOM 286 CA VAL A 19 11.330 -3.462 13.013 1.00 0.00 C ATOM 287 C VAL A 19 9.869 -3.062 12.803 1.00 0.00 C ATOM 288 O VAL A 19 9.235 -3.470 11.850 1.00 0.00 O ATOM 289 CB VAL A 19 12.203 -2.675 12.035 1.00 0.00 C ATOM 290 CG1 VAL A 19 12.184 -1.194 12.413 1.00 0.00 C ATOM 291 CG2 VAL A 19 13.640 -3.200 12.096 1.00 0.00 C ATOM 0 H VAL A 19 11.352 -5.209 11.785 1.00 0.00 H new ATOM 0 HA VAL A 19 11.623 -3.244 14.040 1.00 0.00 H new ATOM 0 HB VAL A 19 11.815 -2.796 11.024 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.806 -0.633 11.716 1.00 0.00 H new ATOM 0 HG12 VAL A 19 11.161 -0.820 12.368 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.571 -1.072 13.425 1.00 0.00 H new ATOM 0 HG21 VAL A 19 14.262 -2.639 11.399 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.029 -3.080 13.107 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.653 -4.256 11.826 1.00 0.00 H new ATOM 301 N ALA A 20 9.330 -2.256 13.678 1.00 0.00 N ATOM 302 CA ALA A 20 7.915 -1.823 13.515 1.00 0.00 C ATOM 303 C ALA A 20 7.826 -0.845 12.330 1.00 0.00 C ATOM 304 O ALA A 20 8.688 -0.005 12.167 1.00 0.00 O ATOM 305 CB ALA A 20 7.451 -1.115 14.791 1.00 0.00 C ATOM 0 H ALA A 20 9.808 -1.880 14.497 1.00 0.00 H new ATOM 0 HA ALA A 20 7.281 -2.690 13.329 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.415 -0.797 14.674 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.527 -1.800 15.635 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.080 -0.243 14.973 1.00 0.00 H new ATOM 311 N PRO A 21 6.801 -0.934 11.508 1.00 0.00 N ATOM 312 CA PRO A 21 6.644 -0.015 10.341 1.00 0.00 C ATOM 313 C PRO A 21 6.844 1.453 10.730 1.00 0.00 C ATOM 314 O PRO A 21 7.304 2.257 9.944 1.00 0.00 O ATOM 315 CB PRO A 21 5.202 -0.239 9.888 1.00 0.00 C ATOM 316 CG PRO A 21 4.842 -1.610 10.353 1.00 0.00 C ATOM 317 CD PRO A 21 5.695 -1.907 11.587 1.00 0.00 C ATOM 0 HA PRO A 21 7.385 -0.221 9.568 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.536 0.508 10.319 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.115 -0.157 8.805 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.781 -1.668 10.596 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.030 -2.344 9.569 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.122 -1.784 12.506 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.065 -2.932 11.577 1.00 0.00 H new ATOM 325 N ALA A 22 6.506 1.802 11.939 1.00 0.00 N ATOM 326 CA ALA A 22 6.678 3.213 12.386 1.00 0.00 C ATOM 327 C ALA A 22 8.170 3.548 12.452 1.00 0.00 C ATOM 328 O ALA A 22 8.563 4.696 12.388 1.00 0.00 O ATOM 329 CB ALA A 22 6.054 3.384 13.772 1.00 0.00 C ATOM 0 H ALA A 22 6.117 1.170 12.639 1.00 0.00 H new ATOM 0 HA ALA A 22 6.187 3.883 11.680 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.178 4.415 14.102 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.992 3.143 13.725 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.547 2.715 14.478 1.00 0.00 H new ATOM 335 N ASP A 23 9.001 2.553 12.584 1.00 0.00 N ATOM 336 CA ASP A 23 10.468 2.804 12.661 1.00 0.00 C ATOM 337 C ASP A 23 11.112 2.474 11.314 1.00 0.00 C ATOM 338 O ASP A 23 12.319 2.458 11.179 1.00 0.00 O ATOM 339 CB ASP A 23 11.082 1.925 13.752 1.00 0.00 C ATOM 340 CG ASP A 23 10.569 2.378 15.120 1.00 0.00 C ATOM 341 OD1 ASP A 23 10.775 1.651 16.078 1.00 0.00 O ATOM 342 OD2 ASP A 23 9.980 3.444 15.187 1.00 0.00 O ATOM 0 H ASP A 23 8.727 1.572 12.642 1.00 0.00 H new ATOM 0 HA ASP A 23 10.645 3.852 12.901 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.822 0.880 13.582 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.169 1.992 13.719 1.00 0.00 H new ATOM 347 N VAL A 24 10.315 2.217 10.315 1.00 0.00 N ATOM 348 CA VAL A 24 10.881 1.893 8.977 1.00 0.00 C ATOM 349 C VAL A 24 10.790 3.131 8.090 1.00 0.00 C ATOM 350 O VAL A 24 9.790 3.823 8.073 1.00 0.00 O ATOM 351 CB VAL A 24 10.085 0.751 8.341 1.00 0.00 C ATOM 352 CG1 VAL A 24 10.702 0.391 6.989 1.00 0.00 C ATOM 353 CG2 VAL A 24 10.128 -0.472 9.259 1.00 0.00 C ATOM 0 H VAL A 24 9.296 2.217 10.367 1.00 0.00 H new ATOM 0 HA VAL A 24 11.922 1.586 9.083 1.00 0.00 H new ATOM 0 HB VAL A 24 9.051 1.065 8.198 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.135 -0.422 6.536 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.675 1.261 6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.736 0.077 7.133 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.561 -1.286 8.807 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.163 -0.785 9.400 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.691 -0.218 10.225 1.00 0.00 H new ATOM 363 N ASP A 25 11.824 3.424 7.355 1.00 0.00 N ATOM 364 CA ASP A 25 11.788 4.625 6.479 1.00 0.00 C ATOM 365 C ASP A 25 10.790 4.393 5.346 1.00 0.00 C ATOM 366 O ASP A 25 11.138 3.908 4.288 1.00 0.00 O ATOM 367 CB ASP A 25 13.180 4.871 5.892 1.00 0.00 C ATOM 368 CG ASP A 25 14.145 5.259 7.014 1.00 0.00 C ATOM 369 OD1 ASP A 25 13.674 5.552 8.100 1.00 0.00 O ATOM 370 OD2 ASP A 25 15.340 5.257 6.767 1.00 0.00 O ATOM 0 H ASP A 25 12.690 2.886 7.323 1.00 0.00 H new ATOM 0 HA ASP A 25 11.483 5.494 7.062 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.536 3.974 5.385 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.137 5.663 5.145 1.00 0.00 H new ATOM 375 N VAL A 26 9.549 4.740 5.557 1.00 0.00 N ATOM 376 CA VAL A 26 8.529 4.539 4.488 1.00 0.00 C ATOM 377 C VAL A 26 8.908 5.365 3.256 1.00 0.00 C ATOM 378 O VAL A 26 8.168 5.441 2.296 1.00 0.00 O ATOM 379 CB VAL A 26 7.160 4.990 5.002 1.00 0.00 C ATOM 380 CG1 VAL A 26 6.825 4.238 6.291 1.00 0.00 C ATOM 381 CG2 VAL A 26 7.191 6.493 5.282 1.00 0.00 C ATOM 0 H VAL A 26 9.198 5.153 6.421 1.00 0.00 H new ATOM 0 HA VAL A 26 8.489 3.484 4.218 1.00 0.00 H new ATOM 0 HB VAL A 26 6.401 4.776 4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.850 4.559 6.657 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.803 3.167 6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.583 4.451 7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.216 6.815 5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.950 6.707 6.034 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.429 7.029 4.363 1.00 0.00 H new ATOM 391 N ASP A 27 10.063 5.978 3.269 1.00 0.00 N ATOM 392 CA ASP A 27 10.493 6.787 2.094 1.00 0.00 C ATOM 393 C ASP A 27 11.335 5.907 1.167 1.00 0.00 C ATOM 394 O ASP A 27 11.933 6.374 0.219 1.00 0.00 O ATOM 395 CB ASP A 27 11.330 7.976 2.570 1.00 0.00 C ATOM 396 CG ASP A 27 10.450 8.928 3.382 1.00 0.00 C ATOM 397 OD1 ASP A 27 10.999 9.795 4.041 1.00 0.00 O ATOM 398 OD2 ASP A 27 9.240 8.774 3.330 1.00 0.00 O ATOM 0 H ASP A 27 10.726 5.952 4.044 1.00 0.00 H new ATOM 0 HA ASP A 27 9.618 7.156 1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.164 7.627 3.179 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.757 8.499 1.714 1.00 0.00 H new ATOM 403 N LEU A 28 11.384 4.633 1.443 1.00 0.00 N ATOM 404 CA LEU A 28 12.183 3.706 0.594 1.00 0.00 C ATOM 405 C LEU A 28 11.300 3.136 -0.511 1.00 0.00 C ATOM 406 O LEU A 28 10.174 2.744 -0.278 1.00 0.00 O ATOM 407 CB LEU A 28 12.705 2.554 1.455 1.00 0.00 C ATOM 408 CG LEU A 28 13.646 1.668 0.632 1.00 0.00 C ATOM 409 CD1 LEU A 28 15.079 2.183 0.767 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.566 0.229 1.147 1.00 0.00 C ATOM 0 H LEU A 28 10.901 4.192 2.226 1.00 0.00 H new ATOM 0 HA LEU A 28 13.018 4.250 0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.231 2.948 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.870 1.962 1.830 1.00 0.00 H new ATOM 0 HG LEU A 28 13.351 1.695 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.749 1.553 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.133 3.208 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.378 2.155 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.234 -0.404 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.863 0.201 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.544 -0.136 1.049 1.00 0.00 H new ATOM 422 N ASP A 29 11.803 3.069 -1.712 1.00 0.00 N ATOM 423 CA ASP A 29 10.984 2.504 -2.811 1.00 0.00 C ATOM 424 C ASP A 29 10.679 1.046 -2.472 1.00 0.00 C ATOM 425 O ASP A 29 11.572 0.248 -2.265 1.00 0.00 O ATOM 426 CB ASP A 29 11.763 2.578 -4.127 1.00 0.00 C ATOM 427 CG ASP A 29 11.961 4.043 -4.522 1.00 0.00 C ATOM 428 OD1 ASP A 29 11.309 4.888 -3.931 1.00 0.00 O ATOM 429 OD2 ASP A 29 12.762 4.294 -5.407 1.00 0.00 O ATOM 0 H ASP A 29 12.738 3.379 -1.975 1.00 0.00 H new ATOM 0 HA ASP A 29 10.058 3.068 -2.922 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.730 2.086 -4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.223 2.049 -4.912 1.00 0.00 H new ATOM 434 N LEU A 30 9.429 0.696 -2.391 1.00 0.00 N ATOM 435 CA LEU A 30 9.073 -0.704 -2.039 1.00 0.00 C ATOM 436 C LEU A 30 9.302 -1.623 -3.241 1.00 0.00 C ATOM 437 O LEU A 30 8.903 -2.771 -3.238 1.00 0.00 O ATOM 438 CB LEU A 30 7.604 -0.765 -1.617 1.00 0.00 C ATOM 439 CG LEU A 30 6.726 -0.248 -2.755 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.665 -1.297 -3.098 1.00 0.00 C ATOM 441 CD2 LEU A 30 6.040 1.046 -2.319 1.00 0.00 C ATOM 0 H LEU A 30 8.638 1.319 -2.553 1.00 0.00 H new ATOM 0 HA LEU A 30 9.704 -1.037 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.328 -1.790 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.447 -0.165 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 30 7.343 -0.056 -3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.038 -0.928 -3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.154 -2.221 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.047 -1.489 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.413 1.416 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.422 0.853 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.795 1.793 -2.074 1.00 0.00 H new ATOM 453 N VAL A 31 9.943 -1.138 -4.271 1.00 0.00 N ATOM 454 CA VAL A 31 10.187 -2.004 -5.459 1.00 0.00 C ATOM 455 C VAL A 31 10.912 -3.269 -5.009 1.00 0.00 C ATOM 456 O VAL A 31 10.594 -4.362 -5.433 1.00 0.00 O ATOM 457 CB VAL A 31 11.047 -1.255 -6.480 1.00 0.00 C ATOM 458 CG1 VAL A 31 11.505 -2.227 -7.569 1.00 0.00 C ATOM 459 CG2 VAL A 31 10.228 -0.130 -7.116 1.00 0.00 C ATOM 0 H VAL A 31 10.305 -0.187 -4.341 1.00 0.00 H new ATOM 0 HA VAL A 31 9.236 -2.267 -5.922 1.00 0.00 H new ATOM 0 HB VAL A 31 11.917 -0.831 -5.978 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.118 -1.695 -8.297 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.090 -3.029 -7.119 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.634 -2.651 -8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.843 0.402 -7.842 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.357 -0.553 -7.617 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.900 0.564 -6.342 1.00 0.00 H new ATOM 469 N ASP A 32 11.869 -3.134 -4.138 1.00 0.00 N ATOM 470 CA ASP A 32 12.593 -4.339 -3.648 1.00 0.00 C ATOM 471 C ASP A 32 11.561 -5.307 -3.077 1.00 0.00 C ATOM 472 O ASP A 32 11.674 -6.510 -3.205 1.00 0.00 O ATOM 473 CB ASP A 32 13.585 -3.936 -2.553 1.00 0.00 C ATOM 474 CG ASP A 32 14.480 -5.129 -2.211 1.00 0.00 C ATOM 475 OD1 ASP A 32 15.256 -5.012 -1.277 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.374 -6.137 -2.889 1.00 0.00 O ATOM 0 H ASP A 32 12.181 -2.246 -3.745 1.00 0.00 H new ATOM 0 HA ASP A 32 13.145 -4.808 -4.462 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.193 -3.096 -2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.047 -3.605 -1.665 1.00 0.00 H new ATOM 481 N ASN A 33 10.542 -4.775 -2.463 1.00 0.00 N ATOM 482 CA ASN A 33 9.469 -5.630 -1.889 1.00 0.00 C ATOM 483 C ASN A 33 8.456 -5.944 -2.985 1.00 0.00 C ATOM 484 O ASN A 33 7.354 -6.383 -2.721 1.00 0.00 O ATOM 485 CB ASN A 33 8.777 -4.892 -0.752 1.00 0.00 C ATOM 486 CG ASN A 33 9.808 -4.513 0.307 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.612 -5.327 0.712 1.00 0.00 O ATOM 488 ND2 ASN A 33 9.822 -3.296 0.766 1.00 0.00 N ATOM 0 H ASN A 33 10.406 -3.772 -2.333 1.00 0.00 H new ATOM 0 HA ASN A 33 9.899 -6.554 -1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.283 -3.997 -1.132 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.003 -5.521 -0.313 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.510 -3.024 1.468 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.145 -2.614 0.424 1.00 0.00 H new ATOM 495 N GLY A 34 8.821 -5.704 -4.218 1.00 0.00 N ATOM 496 CA GLY A 34 7.889 -5.975 -5.347 1.00 0.00 C ATOM 497 C GLY A 34 7.189 -7.312 -5.117 1.00 0.00 C ATOM 498 O GLY A 34 6.192 -7.617 -5.738 1.00 0.00 O ATOM 0 H GLY A 34 9.730 -5.330 -4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.153 -5.175 -5.425 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.437 -5.996 -6.289 1.00 0.00 H new ATOM 502 N VAL A 35 7.694 -8.109 -4.221 1.00 0.00 N ATOM 503 CA VAL A 35 7.040 -9.418 -3.950 1.00 0.00 C ATOM 504 C VAL A 35 5.562 -9.171 -3.643 1.00 0.00 C ATOM 505 O VAL A 35 4.699 -9.943 -4.012 1.00 0.00 O ATOM 506 CB VAL A 35 7.710 -10.083 -2.746 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.887 -11.295 -2.305 1.00 0.00 C ATOM 508 CG2 VAL A 35 9.118 -10.541 -3.135 1.00 0.00 C ATOM 0 H VAL A 35 8.527 -7.913 -3.666 1.00 0.00 H new ATOM 0 HA VAL A 35 7.136 -10.071 -4.817 1.00 0.00 H new ATOM 0 HB VAL A 35 7.771 -9.368 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.366 -11.767 -1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.883 -10.972 -2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.825 -12.010 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.596 -11.015 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.054 -11.255 -3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.707 -9.679 -3.449 1.00 0.00 H new ATOM 518 N ILE A 36 5.269 -8.096 -2.963 1.00 0.00 N ATOM 519 CA ILE A 36 3.854 -7.780 -2.618 1.00 0.00 C ATOM 520 C ILE A 36 3.085 -7.372 -3.876 1.00 0.00 C ATOM 521 O ILE A 36 1.880 -7.472 -3.940 1.00 0.00 O ATOM 522 CB ILE A 36 3.834 -6.605 -1.643 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.543 -6.636 -0.832 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.900 -5.294 -2.430 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.473 -5.396 0.060 1.00 0.00 C ATOM 0 H ILE A 36 5.955 -7.418 -2.629 1.00 0.00 H new ATOM 0 HA ILE A 36 3.390 -8.661 -2.174 1.00 0.00 H new ATOM 0 HB ILE A 36 4.689 -6.677 -0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.682 -6.666 -1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.505 -7.539 -0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.886 -4.453 -1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.819 -5.267 -3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.042 -5.228 -3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.551 -5.417 0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.327 -5.386 0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.491 -4.500 -0.560 1.00 0.00 H new ATOM 537 N ASP A 37 3.774 -6.886 -4.865 1.00 0.00 N ATOM 538 CA ASP A 37 3.086 -6.438 -6.111 1.00 0.00 C ATOM 539 C ASP A 37 2.345 -7.602 -6.777 1.00 0.00 C ATOM 540 O ASP A 37 1.332 -7.405 -7.419 1.00 0.00 O ATOM 541 CB ASP A 37 4.113 -5.869 -7.093 1.00 0.00 C ATOM 542 CG ASP A 37 4.748 -4.611 -6.497 1.00 0.00 C ATOM 543 OD1 ASP A 37 5.766 -4.184 -7.014 1.00 0.00 O ATOM 544 OD2 ASP A 37 4.205 -4.098 -5.532 1.00 0.00 O ATOM 0 H ASP A 37 4.788 -6.778 -4.868 1.00 0.00 H new ATOM 0 HA ASP A 37 2.362 -5.669 -5.842 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.882 -6.613 -7.303 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.632 -5.632 -8.042 1.00 0.00 H new ATOM 549 N SER A 38 2.849 -8.802 -6.665 1.00 0.00 N ATOM 550 CA SER A 38 2.169 -9.951 -7.329 1.00 0.00 C ATOM 551 C SER A 38 1.436 -10.832 -6.313 1.00 0.00 C ATOM 552 O SER A 38 0.230 -10.967 -6.355 1.00 0.00 O ATOM 553 CB SER A 38 3.213 -10.790 -8.067 1.00 0.00 C ATOM 554 OG SER A 38 3.898 -9.962 -9.013 1.00 0.00 O ATOM 0 H SER A 38 3.696 -9.035 -6.146 1.00 0.00 H new ATOM 0 HA SER A 38 1.432 -9.556 -8.028 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.922 -11.216 -7.358 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.732 -11.625 -8.577 1.00 0.00 H new ATOM 0 HG SER A 38 4.570 -10.495 -9.488 1.00 0.00 H new ATOM 559 N LEU A 39 2.153 -11.461 -5.424 1.00 0.00 N ATOM 560 CA LEU A 39 1.490 -12.363 -4.438 1.00 0.00 C ATOM 561 C LEU A 39 0.720 -11.558 -3.392 1.00 0.00 C ATOM 562 O LEU A 39 -0.447 -11.797 -3.149 1.00 0.00 O ATOM 563 CB LEU A 39 2.548 -13.217 -3.736 1.00 0.00 C ATOM 564 CG LEU A 39 3.199 -14.171 -4.738 1.00 0.00 C ATOM 565 CD1 LEU A 39 4.538 -13.594 -5.199 1.00 0.00 C ATOM 566 CD2 LEU A 39 3.435 -15.527 -4.069 1.00 0.00 C ATOM 0 H LEU A 39 3.167 -11.391 -5.337 1.00 0.00 H new ATOM 0 HA LEU A 39 0.787 -13.001 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.306 -12.575 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.090 -13.784 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 39 2.542 -14.296 -5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.001 -14.275 -5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.373 -12.627 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.196 -13.468 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.899 -16.209 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.092 -15.399 -3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.482 -15.941 -3.739 1.00 0.00 H new ATOM 578 N GLY A 40 1.358 -10.615 -2.765 1.00 0.00 N ATOM 579 CA GLY A 40 0.655 -9.806 -1.731 1.00 0.00 C ATOM 580 C GLY A 40 -0.441 -8.978 -2.391 1.00 0.00 C ATOM 581 O GLY A 40 -1.508 -8.784 -1.843 1.00 0.00 O ATOM 0 H GLY A 40 2.335 -10.368 -2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.224 -10.460 -0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.363 -9.152 -1.222 1.00 0.00 H new ATOM 585 N LEU A 41 -0.182 -8.485 -3.566 1.00 0.00 N ATOM 586 CA LEU A 41 -1.196 -7.662 -4.273 1.00 0.00 C ATOM 587 C LEU A 41 -2.461 -8.493 -4.478 1.00 0.00 C ATOM 588 O LEU A 41 -3.564 -8.012 -4.316 1.00 0.00 O ATOM 589 CB LEU A 41 -0.636 -7.240 -5.630 1.00 0.00 C ATOM 590 CG LEU A 41 -1.593 -6.259 -6.307 1.00 0.00 C ATOM 591 CD1 LEU A 41 -1.249 -4.836 -5.871 1.00 0.00 C ATOM 592 CD2 LEU A 41 -1.455 -6.375 -7.827 1.00 0.00 C ATOM 0 H LEU A 41 0.695 -8.618 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.434 -6.776 -3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.342 -6.777 -5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.493 -8.116 -6.262 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.618 -6.492 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.930 -4.134 -6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.347 -4.753 -4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.224 -4.604 -6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.138 -5.675 -8.309 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.431 -6.142 -8.118 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.698 -7.391 -8.138 1.00 0.00 H new ATOM 604 N LEU A 42 -2.309 -9.739 -4.827 1.00 0.00 N ATOM 605 CA LEU A 42 -3.507 -10.595 -5.034 1.00 0.00 C ATOM 606 C LEU A 42 -4.271 -10.692 -3.713 1.00 0.00 C ATOM 607 O LEU A 42 -5.480 -10.573 -3.671 1.00 0.00 O ATOM 608 CB LEU A 42 -3.068 -11.993 -5.477 1.00 0.00 C ATOM 609 CG LEU A 42 -4.293 -12.828 -5.846 1.00 0.00 C ATOM 610 CD1 LEU A 42 -4.698 -12.521 -7.284 1.00 0.00 C ATOM 611 CD2 LEU A 42 -3.955 -14.315 -5.717 1.00 0.00 C ATOM 0 H LEU A 42 -1.411 -10.199 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.146 -10.163 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.396 -11.919 -6.332 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.512 -12.480 -4.676 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.117 -12.585 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.572 -13.115 -7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.938 -11.462 -7.376 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.874 -12.766 -7.954 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.829 -14.911 -5.980 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.132 -14.561 -6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.663 -14.534 -4.690 1.00 0.00 H new ATOM 623 N LYS A 43 -3.568 -10.891 -2.632 1.00 0.00 N ATOM 624 CA LYS A 43 -4.242 -10.978 -1.310 1.00 0.00 C ATOM 625 C LYS A 43 -4.869 -9.625 -0.973 1.00 0.00 C ATOM 626 O LYS A 43 -5.920 -9.546 -0.368 1.00 0.00 O ATOM 627 CB LYS A 43 -3.211 -11.345 -0.246 1.00 0.00 C ATOM 628 CG LYS A 43 -2.663 -12.746 -0.524 1.00 0.00 C ATOM 629 CD LYS A 43 -1.719 -13.159 0.607 1.00 0.00 C ATOM 630 CE LYS A 43 -1.079 -14.507 0.271 1.00 0.00 C ATOM 631 NZ LYS A 43 -2.077 -15.596 0.476 1.00 0.00 N ATOM 0 H LYS A 43 -2.554 -10.997 -2.609 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.021 -11.740 -1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.398 -10.619 -0.247 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.667 -11.312 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.483 -13.459 -0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.133 -12.758 -1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.947 -12.402 0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.268 -13.229 1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.730 -14.509 -0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.207 -14.675 0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.615 -16.519 0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.465 -15.535 1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.848 -15.495 -0.215 1.00 0.00 H new ATOM 645 N VAL A 44 -4.223 -8.558 -1.357 1.00 0.00 N ATOM 646 CA VAL A 44 -4.765 -7.201 -1.059 1.00 0.00 C ATOM 647 C VAL A 44 -6.141 -7.031 -1.705 1.00 0.00 C ATOM 648 O VAL A 44 -7.063 -6.520 -1.102 1.00 0.00 O ATOM 649 CB VAL A 44 -3.807 -6.147 -1.616 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.458 -4.765 -1.541 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.519 -6.149 -0.792 1.00 0.00 C ATOM 0 H VAL A 44 -3.339 -8.567 -1.866 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.864 -7.081 0.020 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.578 -6.380 -2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.772 -4.017 -1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.377 -4.763 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.690 -4.528 -0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.834 -5.399 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.752 -5.917 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.052 -7.132 -0.849 1.00 0.00 H new ATOM 661 N ILE A 45 -6.288 -7.453 -2.928 1.00 0.00 N ATOM 662 CA ILE A 45 -7.601 -7.311 -3.612 1.00 0.00 C ATOM 663 C ILE A 45 -8.673 -8.084 -2.837 1.00 0.00 C ATOM 664 O ILE A 45 -9.766 -7.600 -2.622 1.00 0.00 O ATOM 665 CB ILE A 45 -7.490 -7.869 -5.031 1.00 0.00 C ATOM 666 CG1 ILE A 45 -7.090 -6.749 -5.998 1.00 0.00 C ATOM 667 CG2 ILE A 45 -8.834 -8.455 -5.460 1.00 0.00 C ATOM 668 CD1 ILE A 45 -5.675 -6.270 -5.673 1.00 0.00 C ATOM 0 H ILE A 45 -5.554 -7.891 -3.485 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.880 -6.258 -3.653 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.731 -8.651 -5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.136 -7.109 -7.026 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.792 -5.919 -5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.752 -8.852 -6.472 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.116 -9.257 -4.778 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.595 -7.675 -5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.393 -5.474 -6.362 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.644 -5.893 -4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.977 -7.101 -5.774 1.00 0.00 H new ATOM 680 N ALA A 46 -8.372 -9.284 -2.428 1.00 0.00 N ATOM 681 CA ALA A 46 -9.374 -10.093 -1.680 1.00 0.00 C ATOM 682 C ALA A 46 -9.710 -9.418 -0.347 1.00 0.00 C ATOM 683 O ALA A 46 -10.855 -9.343 0.050 1.00 0.00 O ATOM 684 CB ALA A 46 -8.793 -11.481 -1.409 1.00 0.00 C ATOM 0 H ALA A 46 -7.473 -9.741 -2.580 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.283 -10.176 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.521 -12.080 -0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.560 -11.969 -2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.883 -11.385 -0.817 1.00 0.00 H new ATOM 690 N TRP A 47 -8.719 -8.931 0.347 1.00 0.00 N ATOM 691 CA TRP A 47 -8.980 -8.268 1.656 1.00 0.00 C ATOM 692 C TRP A 47 -9.575 -6.878 1.427 1.00 0.00 C ATOM 693 O TRP A 47 -10.446 -6.439 2.150 1.00 0.00 O ATOM 694 CB TRP A 47 -7.666 -8.146 2.430 1.00 0.00 C ATOM 695 CG TRP A 47 -7.678 -6.906 3.263 1.00 0.00 C ATOM 696 CD1 TRP A 47 -8.171 -6.812 4.520 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.177 -5.582 2.922 1.00 0.00 C ATOM 698 NE1 TRP A 47 -8.001 -5.514 4.969 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.392 -4.718 4.020 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.561 -5.055 1.775 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -7.008 -3.377 3.980 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -6.174 -3.707 1.730 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.396 -2.870 2.830 1.00 0.00 C ATOM 0 H TRP A 47 -7.739 -8.963 0.065 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.689 -8.865 2.230 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.526 -9.020 3.066 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.826 -8.120 1.736 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.623 -7.617 5.080 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.291 -5.185 5.890 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.384 -5.692 0.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.182 -2.736 4.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.702 -3.313 0.842 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.095 -1.834 2.790 1.00 0.00 H new ATOM 714 N LEU A 48 -9.101 -6.177 0.436 1.00 0.00 N ATOM 715 CA LEU A 48 -9.627 -4.812 0.171 1.00 0.00 C ATOM 716 C LEU A 48 -11.137 -4.870 -0.068 1.00 0.00 C ATOM 717 O LEU A 48 -11.885 -4.064 0.450 1.00 0.00 O ATOM 718 CB LEU A 48 -8.931 -4.249 -1.067 1.00 0.00 C ATOM 719 CG LEU A 48 -9.297 -2.783 -1.248 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.334 -1.930 -0.430 1.00 0.00 C ATOM 721 CD2 LEU A 48 -9.181 -2.412 -2.727 1.00 0.00 C ATOM 0 H LEU A 48 -8.371 -6.492 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.433 -4.171 1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.851 -4.353 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.225 -4.817 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.319 -2.609 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.587 -0.877 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.411 -2.202 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.314 -2.101 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.443 -1.362 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.158 -2.577 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.860 -3.032 -3.312 1.00 0.00 H new ATOM 733 N GLU A 49 -11.598 -5.815 -0.839 1.00 0.00 N ATOM 734 CA GLU A 49 -13.062 -5.915 -1.093 1.00 0.00 C ATOM 735 C GLU A 49 -13.779 -6.281 0.206 1.00 0.00 C ATOM 736 O GLU A 49 -14.839 -5.773 0.505 1.00 0.00 O ATOM 737 CB GLU A 49 -13.323 -6.983 -2.167 1.00 0.00 C ATOM 738 CG GLU A 49 -14.762 -7.496 -2.078 1.00 0.00 C ATOM 739 CD GLU A 49 -15.041 -8.433 -3.255 1.00 0.00 C ATOM 740 OE1 GLU A 49 -16.172 -8.872 -3.381 1.00 0.00 O ATOM 741 OE2 GLU A 49 -14.119 -8.696 -4.009 1.00 0.00 O ATOM 0 H GLU A 49 -11.026 -6.521 -1.303 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.442 -4.957 -1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.141 -6.563 -3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.627 -7.812 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.915 -8.022 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.460 -6.659 -2.092 1.00 0.00 H new ATOM 748 N ASP A 50 -13.211 -7.161 0.975 1.00 0.00 N ATOM 749 CA ASP A 50 -13.859 -7.567 2.252 1.00 0.00 C ATOM 750 C ASP A 50 -13.929 -6.383 3.220 1.00 0.00 C ATOM 751 O ASP A 50 -14.928 -6.162 3.875 1.00 0.00 O ATOM 752 CB ASP A 50 -13.037 -8.684 2.890 1.00 0.00 C ATOM 753 CG ASP A 50 -13.791 -9.254 4.092 1.00 0.00 C ATOM 754 OD1 ASP A 50 -14.922 -8.849 4.304 1.00 0.00 O ATOM 755 OD2 ASP A 50 -13.225 -10.085 4.782 1.00 0.00 O ATOM 0 H ASP A 50 -12.322 -7.620 0.775 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.872 -7.910 2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.847 -9.471 2.161 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.067 -8.300 3.205 1.00 0.00 H new ATOM 760 N ARG A 51 -12.866 -5.639 3.334 1.00 0.00 N ATOM 761 CA ARG A 51 -12.854 -4.489 4.283 1.00 0.00 C ATOM 762 C ARG A 51 -13.856 -3.404 3.868 1.00 0.00 C ATOM 763 O ARG A 51 -14.546 -2.850 4.701 1.00 0.00 O ATOM 764 CB ARG A 51 -11.449 -3.887 4.331 1.00 0.00 C ATOM 765 CG ARG A 51 -11.403 -2.795 5.402 1.00 0.00 C ATOM 766 CD ARG A 51 -9.995 -2.202 5.469 1.00 0.00 C ATOM 767 NE ARG A 51 -9.929 -1.200 6.569 1.00 0.00 N ATOM 768 CZ ARG A 51 -9.023 -0.261 6.543 1.00 0.00 C ATOM 769 NH1 ARG A 51 -8.964 0.617 7.506 1.00 0.00 N ATOM 770 NH2 ARG A 51 -8.175 -0.201 5.553 1.00 0.00 N ATOM 0 H ARG A 51 -12.002 -5.777 2.810 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.143 -4.859 5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.716 -4.662 4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.186 -3.470 3.359 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.127 -2.014 5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.680 -3.210 6.371 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.264 -2.992 5.639 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.741 -1.732 4.519 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.592 -1.248 7.343 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.626 0.570 8.280 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.255 1.350 7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.221 -0.888 4.800 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.467 0.533 5.532 1.00 0.00 H new ATOM 784 N PHE A 52 -13.930 -3.072 2.603 1.00 0.00 N ATOM 785 CA PHE A 52 -14.871 -2.000 2.176 1.00 0.00 C ATOM 786 C PHE A 52 -16.076 -2.595 1.445 1.00 0.00 C ATOM 787 O PHE A 52 -17.018 -1.898 1.125 1.00 0.00 O ATOM 788 CB PHE A 52 -14.132 -1.047 1.238 1.00 0.00 C ATOM 789 CG PHE A 52 -13.025 -0.354 1.995 1.00 0.00 C ATOM 790 CD1 PHE A 52 -13.307 0.775 2.773 1.00 0.00 C ATOM 791 CD2 PHE A 52 -11.713 -0.839 1.917 1.00 0.00 C ATOM 792 CE1 PHE A 52 -12.280 1.418 3.474 1.00 0.00 C ATOM 793 CE2 PHE A 52 -10.686 -0.196 2.616 1.00 0.00 C ATOM 794 CZ PHE A 52 -10.969 0.933 3.395 1.00 0.00 C ATOM 0 H PHE A 52 -13.382 -3.496 1.854 1.00 0.00 H new ATOM 0 HA PHE A 52 -15.230 -1.469 3.057 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.719 -1.598 0.393 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.825 -0.311 0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.318 1.150 2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.494 -1.710 1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -12.499 2.288 4.076 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.675 -0.570 2.555 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.176 1.429 3.935 1.00 0.00 H new ATOM 804 N GLY A 53 -16.062 -3.869 1.171 1.00 0.00 N ATOM 805 CA GLY A 53 -17.221 -4.475 0.457 1.00 0.00 C ATOM 806 C GLY A 53 -17.273 -3.923 -0.969 1.00 0.00 C ATOM 807 O GLY A 53 -18.332 -3.737 -1.534 1.00 0.00 O ATOM 0 H GLY A 53 -15.306 -4.512 1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -17.125 -5.561 0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -18.148 -4.247 0.983 1.00 0.00 H new ATOM 811 N ILE A 54 -16.133 -3.649 -1.551 1.00 0.00 N ATOM 812 CA ILE A 54 -16.110 -3.094 -2.935 1.00 0.00 C ATOM 813 C ILE A 54 -15.594 -4.151 -3.913 1.00 0.00 C ATOM 814 O ILE A 54 -14.849 -5.038 -3.550 1.00 0.00 O ATOM 815 CB ILE A 54 -15.196 -1.870 -2.964 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.776 -2.292 -2.578 1.00 0.00 C ATOM 817 CG2 ILE A 54 -15.712 -0.829 -1.969 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.852 -1.076 -2.609 1.00 0.00 C ATOM 0 H ILE A 54 -15.216 -3.787 -1.125 1.00 0.00 H new ATOM 0 HA ILE A 54 -17.119 -2.807 -3.231 1.00 0.00 H new ATOM 0 HB ILE A 54 -15.187 -1.439 -3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.776 -2.736 -1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.413 -3.055 -3.267 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.062 0.046 -1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -16.725 -0.534 -2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -15.718 -1.256 -0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.842 -1.379 -2.334 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.843 -0.652 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -13.211 -0.328 -1.902 1.00 0.00 H new ATOM 830 N ALA A 55 -15.991 -4.066 -5.152 1.00 0.00 N ATOM 831 CA ALA A 55 -15.538 -5.071 -6.154 1.00 0.00 C ATOM 832 C ALA A 55 -14.016 -5.029 -6.274 1.00 0.00 C ATOM 833 O ALA A 55 -13.390 -4.013 -6.046 1.00 0.00 O ATOM 834 CB ALA A 55 -16.165 -4.753 -7.513 1.00 0.00 C ATOM 0 H ALA A 55 -16.611 -3.342 -5.515 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.847 -6.066 -5.832 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.834 -5.488 -8.247 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -17.251 -4.787 -7.429 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.857 -3.757 -7.832 1.00 0.00 H new ATOM 840 N ALA A 56 -13.416 -6.135 -6.618 1.00 0.00 N ATOM 841 CA ALA A 56 -11.934 -6.177 -6.742 1.00 0.00 C ATOM 842 C ALA A 56 -11.464 -5.128 -7.750 1.00 0.00 C ATOM 843 O ALA A 56 -10.423 -4.525 -7.588 1.00 0.00 O ATOM 844 CB ALA A 56 -11.508 -7.567 -7.221 1.00 0.00 C ATOM 0 H ALA A 56 -13.892 -7.015 -6.819 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.486 -5.965 -5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.423 -7.603 -7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.836 -8.316 -6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.962 -7.773 -8.190 1.00 0.00 H new ATOM 850 N ASP A 57 -12.218 -4.906 -8.792 1.00 0.00 N ATOM 851 CA ASP A 57 -11.797 -3.896 -9.802 1.00 0.00 C ATOM 852 C ASP A 57 -10.372 -4.215 -10.256 1.00 0.00 C ATOM 853 O ASP A 57 -9.506 -3.362 -10.265 1.00 0.00 O ATOM 854 CB ASP A 57 -11.836 -2.501 -9.180 1.00 0.00 C ATOM 855 CG ASP A 57 -13.280 -2.139 -8.827 1.00 0.00 C ATOM 856 OD1 ASP A 57 -13.467 -1.185 -8.089 1.00 0.00 O ATOM 857 OD2 ASP A 57 -14.173 -2.821 -9.300 1.00 0.00 O ATOM 0 H ASP A 57 -13.102 -5.377 -8.986 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.473 -3.924 -10.657 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.214 -2.473 -8.285 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.426 -1.769 -9.876 1.00 0.00 H new ATOM 862 N ASP A 58 -10.118 -5.444 -10.615 1.00 0.00 N ATOM 863 CA ASP A 58 -8.746 -5.825 -11.049 1.00 0.00 C ATOM 864 C ASP A 58 -8.470 -5.293 -12.456 1.00 0.00 C ATOM 865 O ASP A 58 -9.125 -5.658 -13.412 1.00 0.00 O ATOM 866 CB ASP A 58 -8.620 -7.348 -11.049 1.00 0.00 C ATOM 867 CG ASP A 58 -7.175 -7.742 -11.357 1.00 0.00 C ATOM 868 OD1 ASP A 58 -6.343 -6.852 -11.439 1.00 0.00 O ATOM 869 OD2 ASP A 58 -6.922 -8.926 -11.507 1.00 0.00 O ATOM 0 H ASP A 58 -10.802 -6.200 -10.626 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.022 -5.393 -10.358 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.918 -7.748 -10.080 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.291 -7.779 -11.792 1.00 0.00 H new ATOM 874 N VAL A 59 -7.493 -4.439 -12.583 1.00 0.00 N ATOM 875 CA VAL A 59 -7.144 -3.876 -13.918 1.00 0.00 C ATOM 876 C VAL A 59 -5.639 -4.039 -14.134 1.00 0.00 C ATOM 877 O VAL A 59 -4.899 -4.283 -13.204 1.00 0.00 O ATOM 878 CB VAL A 59 -7.513 -2.393 -13.962 1.00 0.00 C ATOM 879 CG1 VAL A 59 -9.000 -2.226 -13.647 1.00 0.00 C ATOM 880 CG2 VAL A 59 -6.684 -1.631 -12.925 1.00 0.00 C ATOM 0 H VAL A 59 -6.916 -4.104 -11.812 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.693 -4.400 -14.701 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.306 -1.997 -14.956 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.262 -1.168 -13.679 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.591 -2.769 -14.385 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.208 -2.622 -12.653 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.946 -0.573 -12.955 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.891 -2.028 -11.931 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.624 -1.749 -13.149 1.00 0.00 H new ATOM 890 N GLU A 60 -5.173 -3.913 -15.346 1.00 0.00 N ATOM 891 CA GLU A 60 -3.710 -4.073 -15.582 1.00 0.00 C ATOM 892 C GLU A 60 -2.945 -3.038 -14.758 1.00 0.00 C ATOM 893 O GLU A 60 -3.223 -1.856 -14.815 1.00 0.00 O ATOM 894 CB GLU A 60 -3.401 -3.873 -17.066 1.00 0.00 C ATOM 895 CG GLU A 60 -1.915 -4.106 -17.302 1.00 0.00 C ATOM 896 CD GLU A 60 -1.587 -3.886 -18.780 1.00 0.00 C ATOM 897 OE1 GLU A 60 -0.439 -4.076 -19.147 1.00 0.00 O ATOM 898 OE2 GLU A 60 -2.489 -3.530 -19.520 1.00 0.00 O ATOM 0 H GLU A 60 -5.733 -3.709 -16.174 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.405 -5.076 -15.283 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.990 -4.564 -17.669 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.677 -2.865 -17.375 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.328 -3.426 -16.684 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.645 -5.120 -17.006 1.00 0.00 H new ATOM 905 N LEU A 61 -1.984 -3.479 -13.990 1.00 0.00 N ATOM 906 CA LEU A 61 -1.195 -2.536 -13.151 1.00 0.00 C ATOM 907 C LEU A 61 0.259 -2.516 -13.623 1.00 0.00 C ATOM 908 O LEU A 61 0.794 -3.519 -14.053 1.00 0.00 O ATOM 909 CB LEU A 61 -1.245 -2.993 -11.692 1.00 0.00 C ATOM 910 CG LEU A 61 -2.695 -3.231 -11.279 1.00 0.00 C ATOM 911 CD1 LEU A 61 -2.758 -3.527 -9.782 1.00 0.00 C ATOM 912 CD2 LEU A 61 -3.529 -1.987 -11.590 1.00 0.00 C ATOM 0 H LEU A 61 -1.712 -4.459 -13.909 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.618 -1.535 -13.240 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.666 -3.908 -11.567 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.792 -2.239 -11.048 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.093 -4.081 -11.834 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.794 -3.697 -9.488 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.168 -4.417 -9.562 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.357 -2.679 -9.226 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.564 -2.159 -11.294 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.131 -1.135 -11.039 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.487 -1.779 -12.659 1.00 0.00 H new ATOM 924 N SER A 62 0.906 -1.385 -13.537 1.00 0.00 N ATOM 925 CA SER A 62 2.327 -1.301 -13.969 1.00 0.00 C ATOM 926 C SER A 62 3.221 -1.185 -12.731 1.00 0.00 C ATOM 927 O SER A 62 2.787 -0.743 -11.686 1.00 0.00 O ATOM 928 CB SER A 62 2.519 -0.069 -14.855 1.00 0.00 C ATOM 929 OG SER A 62 3.062 -0.471 -16.106 1.00 0.00 O ATOM 0 H SER A 62 0.509 -0.514 -13.185 1.00 0.00 H new ATOM 0 HA SER A 62 2.594 -2.195 -14.532 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.566 0.438 -15.005 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.185 0.643 -14.368 1.00 0.00 H new ATOM 0 HG SER A 62 3.185 0.316 -16.677 1.00 0.00 H new ATOM 935 N PRO A 63 4.461 -1.580 -12.847 1.00 0.00 N ATOM 936 CA PRO A 63 5.433 -1.522 -11.717 1.00 0.00 C ATOM 937 C PRO A 63 5.672 -0.086 -11.238 1.00 0.00 C ATOM 938 O PRO A 63 6.032 0.149 -10.102 1.00 0.00 O ATOM 939 CB PRO A 63 6.723 -2.116 -12.293 1.00 0.00 C ATOM 940 CG PRO A 63 6.570 -2.062 -13.778 1.00 0.00 C ATOM 941 CD PRO A 63 5.073 -2.122 -14.067 1.00 0.00 C ATOM 0 HA PRO A 63 5.066 -2.064 -10.846 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.594 -1.547 -11.969 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.867 -3.141 -11.952 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.005 -1.147 -14.179 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.089 -2.895 -14.251 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.810 -1.530 -14.944 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.743 -3.143 -14.261 1.00 0.00 H new ATOM 949 N GLU A 64 5.473 0.873 -12.099 1.00 0.00 N ATOM 950 CA GLU A 64 5.686 2.294 -11.700 1.00 0.00 C ATOM 951 C GLU A 64 4.710 2.663 -10.582 1.00 0.00 C ATOM 952 O GLU A 64 4.992 3.501 -9.749 1.00 0.00 O ATOM 953 CB GLU A 64 5.447 3.202 -12.905 1.00 0.00 C ATOM 954 CG GLU A 64 6.490 2.912 -13.978 1.00 0.00 C ATOM 955 CD GLU A 64 6.295 3.871 -15.154 1.00 0.00 C ATOM 956 OE1 GLU A 64 5.296 4.572 -15.162 1.00 0.00 O ATOM 957 OE2 GLU A 64 7.148 3.888 -16.027 1.00 0.00 O ATOM 0 H GLU A 64 5.172 0.735 -13.064 1.00 0.00 H new ATOM 0 HA GLU A 64 6.709 2.422 -11.345 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.446 3.039 -13.303 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.503 4.248 -12.602 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.492 3.025 -13.565 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.400 1.880 -14.318 1.00 0.00 H new ATOM 964 N HIS A 65 3.561 2.045 -10.559 1.00 0.00 N ATOM 965 CA HIS A 65 2.564 2.362 -9.499 1.00 0.00 C ATOM 966 C HIS A 65 3.086 1.893 -8.140 1.00 0.00 C ATOM 967 O HIS A 65 2.721 2.422 -7.109 1.00 0.00 O ATOM 968 CB HIS A 65 1.248 1.648 -9.810 1.00 0.00 C ATOM 969 CG HIS A 65 0.243 1.960 -8.735 1.00 0.00 C ATOM 970 ND1 HIS A 65 -0.279 3.233 -8.556 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.340 1.175 -7.772 1.00 0.00 C ATOM 972 CE1 HIS A 65 -1.137 3.177 -7.520 1.00 0.00 C ATOM 973 NE2 HIS A 65 -1.207 1.946 -7.009 1.00 0.00 N ATOM 0 H HIS A 65 3.270 1.334 -11.229 1.00 0.00 H new ATOM 0 HA HIS A 65 2.400 3.439 -9.470 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.869 1.967 -10.781 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.411 0.572 -9.870 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -0.054 4.060 -9.108 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.153 0.121 -7.630 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.698 4.022 -7.149 1.00 0.00 H new ATOM 982 N PHE A 66 3.929 0.899 -8.126 1.00 0.00 N ATOM 983 CA PHE A 66 4.465 0.395 -6.830 1.00 0.00 C ATOM 984 C PHE A 66 5.859 0.976 -6.588 1.00 0.00 C ATOM 985 O PHE A 66 6.553 0.584 -5.673 1.00 0.00 O ATOM 986 CB PHE A 66 4.542 -1.131 -6.878 1.00 0.00 C ATOM 987 CG PHE A 66 3.162 -1.686 -7.126 1.00 0.00 C ATOM 988 CD1 PHE A 66 2.274 -1.859 -6.058 1.00 0.00 C ATOM 989 CD2 PHE A 66 2.766 -2.017 -8.427 1.00 0.00 C ATOM 990 CE1 PHE A 66 0.990 -2.365 -6.291 1.00 0.00 C ATOM 991 CE2 PHE A 66 1.483 -2.523 -8.660 1.00 0.00 C ATOM 992 CZ PHE A 66 0.595 -2.697 -7.593 1.00 0.00 C ATOM 0 H PHE A 66 4.270 0.413 -8.955 1.00 0.00 H new ATOM 0 HA PHE A 66 3.806 0.702 -6.017 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.223 -1.449 -7.668 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.940 -1.517 -5.940 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.579 -1.602 -5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.451 -1.882 -9.251 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.304 -2.499 -5.467 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.178 -2.779 -9.664 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.396 -3.088 -7.773 1.00 0.00 H new ATOM 1002 N ARG A 67 6.276 1.904 -7.402 1.00 0.00 N ATOM 1003 CA ARG A 67 7.627 2.504 -7.218 1.00 0.00 C ATOM 1004 C ARG A 67 7.752 3.072 -5.800 1.00 0.00 C ATOM 1005 O ARG A 67 8.794 2.983 -5.181 1.00 0.00 O ATOM 1006 CB ARG A 67 7.828 3.624 -8.249 1.00 0.00 C ATOM 1007 CG ARG A 67 9.225 4.245 -8.118 1.00 0.00 C ATOM 1008 CD ARG A 67 10.283 3.310 -8.717 1.00 0.00 C ATOM 1009 NE ARG A 67 11.605 3.996 -8.716 1.00 0.00 N ATOM 1010 CZ ARG A 67 12.703 3.297 -8.805 1.00 0.00 C ATOM 1011 NH1 ARG A 67 13.862 3.898 -8.805 1.00 0.00 N ATOM 1012 NH2 ARG A 67 12.643 1.997 -8.895 1.00 0.00 N ATOM 0 H ARG A 67 5.740 2.273 -8.187 1.00 0.00 H new ATOM 0 HA ARG A 67 8.390 1.738 -7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.696 3.226 -9.255 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.069 4.394 -8.108 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.251 5.208 -8.628 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.449 4.434 -7.068 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.339 2.388 -8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.005 3.032 -9.734 1.00 0.00 H new ATOM 0 HE ARG A 67 11.652 5.012 -8.646 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.909 4.915 -8.735 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.720 3.351 -8.875 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.738 1.527 -8.896 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.501 1.450 -8.965 1.00 0.00 H new ATOM 1026 N SER A 68 6.707 3.659 -5.281 1.00 0.00 N ATOM 1027 CA SER A 68 6.791 4.230 -3.905 1.00 0.00 C ATOM 1028 C SER A 68 5.482 3.984 -3.151 1.00 0.00 C ATOM 1029 O SER A 68 4.436 3.799 -3.742 1.00 0.00 O ATOM 1030 CB SER A 68 7.048 5.735 -3.996 1.00 0.00 C ATOM 1031 OG SER A 68 5.903 6.375 -4.543 1.00 0.00 O ATOM 0 H SER A 68 5.805 3.768 -5.746 1.00 0.00 H new ATOM 0 HA SER A 68 7.607 3.746 -3.368 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.267 6.139 -3.007 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.920 5.929 -4.620 1.00 0.00 H new ATOM 0 HG SER A 68 6.064 7.340 -4.601 1.00 0.00 H new ATOM 1037 N ILE A 69 5.536 3.985 -1.846 1.00 0.00 N ATOM 1038 CA ILE A 69 4.310 3.758 -1.040 1.00 0.00 C ATOM 1039 C ILE A 69 3.291 4.865 -1.321 1.00 0.00 C ATOM 1040 O ILE A 69 2.098 4.635 -1.334 1.00 0.00 O ATOM 1041 CB ILE A 69 4.682 3.772 0.442 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.686 2.661 0.728 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.437 3.536 1.277 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.223 2.808 2.153 1.00 0.00 C ATOM 0 H ILE A 69 6.386 4.135 -1.303 1.00 0.00 H new ATOM 0 HA ILE A 69 3.871 2.796 -1.305 1.00 0.00 H new ATOM 0 HB ILE A 69 5.120 4.738 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.211 1.688 0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.507 2.706 0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.701 3.546 2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.710 4.323 1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.004 2.569 1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.940 2.013 2.355 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.714 3.775 2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.398 2.741 2.862 1.00 0.00 H new ATOM 1056 N ARG A 70 3.750 6.069 -1.534 1.00 0.00 N ATOM 1057 CA ARG A 70 2.805 7.192 -1.798 1.00 0.00 C ATOM 1058 C ARG A 70 1.974 6.889 -3.046 1.00 0.00 C ATOM 1059 O ARG A 70 0.794 7.172 -3.096 1.00 0.00 O ATOM 1060 CB ARG A 70 3.599 8.481 -2.015 1.00 0.00 C ATOM 1061 CG ARG A 70 2.632 9.655 -2.179 1.00 0.00 C ATOM 1062 CD ARG A 70 3.427 10.952 -2.341 1.00 0.00 C ATOM 1063 NE ARG A 70 4.141 10.937 -3.648 1.00 0.00 N ATOM 1064 CZ ARG A 70 3.494 11.205 -4.750 1.00 0.00 C ATOM 1065 NH1 ARG A 70 4.120 11.191 -5.894 1.00 0.00 N ATOM 1066 NH2 ARG A 70 2.220 11.485 -4.705 1.00 0.00 N ATOM 0 H ARG A 70 4.738 6.323 -1.537 1.00 0.00 H new ATOM 0 HA ARG A 70 2.138 7.310 -0.944 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.263 8.658 -1.169 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.228 8.388 -2.900 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.994 9.496 -3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.976 9.724 -1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.757 11.810 -2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.142 11.057 -1.525 1.00 0.00 H new ATOM 0 HE ARG A 70 5.136 10.717 -3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.115 10.971 -5.928 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.614 11.400 -6.755 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.731 11.494 -3.810 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.713 11.695 -5.565 1.00 0.00 H new ATOM 1080 N SER A 71 2.571 6.312 -4.052 1.00 0.00 N ATOM 1081 CA SER A 71 1.796 5.994 -5.285 1.00 0.00 C ATOM 1082 C SER A 71 0.630 5.075 -4.915 1.00 0.00 C ATOM 1083 O SER A 71 -0.473 5.217 -5.410 1.00 0.00 O ATOM 1084 CB SER A 71 2.705 5.290 -6.291 1.00 0.00 C ATOM 1085 OG SER A 71 1.997 5.094 -7.508 1.00 0.00 O ATOM 0 H SER A 71 3.556 6.048 -4.075 1.00 0.00 H new ATOM 0 HA SER A 71 1.414 6.913 -5.730 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.600 5.887 -6.470 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.036 4.331 -5.891 1.00 0.00 H new ATOM 0 HG SER A 71 1.445 4.287 -7.439 1.00 0.00 H new ATOM 1091 N ILE A 72 0.863 4.140 -4.037 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.222 3.221 -3.620 1.00 0.00 C ATOM 1093 C ILE A 72 -1.346 4.039 -2.985 1.00 0.00 C ATOM 1094 O ILE A 72 -2.514 3.770 -3.184 1.00 0.00 O ATOM 1095 CB ILE A 72 0.336 2.228 -2.602 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.478 1.435 -3.242 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -0.770 1.271 -2.173 1.00 0.00 C ATOM 1098 CD1 ILE A 72 2.151 0.559 -2.184 1.00 0.00 C ATOM 0 H ILE A 72 1.765 3.975 -3.590 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.611 2.677 -4.481 1.00 0.00 H new ATOM 0 HB ILE A 72 0.710 2.766 -1.731 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.094 0.814 -4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.206 2.117 -3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.375 0.561 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.585 1.836 -1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.141 0.731 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.964 -0.005 -2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.549 1.190 -1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.420 -0.133 -1.766 1.00 0.00 H new ATOM 1110 N ASP A 73 -0.998 5.043 -2.227 1.00 0.00 N ATOM 1111 CA ASP A 73 -2.041 5.888 -1.584 1.00 0.00 C ATOM 1112 C ASP A 73 -2.967 6.445 -2.665 1.00 0.00 C ATOM 1113 O ASP A 73 -4.160 6.565 -2.473 1.00 0.00 O ATOM 1114 CB ASP A 73 -1.373 7.044 -0.836 1.00 0.00 C ATOM 1115 CG ASP A 73 -2.419 7.780 0.005 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -3.547 7.318 0.049 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -2.072 8.792 0.591 1.00 0.00 O ATOM 0 H ASP A 73 -0.035 5.314 -2.026 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.617 5.289 -0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.577 6.665 -0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.911 7.731 -1.545 1.00 0.00 H new ATOM 1122 N ALA A 74 -2.427 6.782 -3.805 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.281 7.324 -4.896 1.00 0.00 C ATOM 1124 C ALA A 74 -4.320 6.272 -5.275 1.00 0.00 C ATOM 1125 O ALA A 74 -5.473 6.578 -5.503 1.00 0.00 O ATOM 1126 CB ALA A 74 -2.413 7.650 -6.114 1.00 0.00 C ATOM 0 H ALA A 74 -1.434 6.705 -4.026 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.779 8.233 -4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.040 8.047 -6.912 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.664 8.392 -5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.916 6.744 -6.460 1.00 0.00 H new ATOM 1132 N PHE A 75 -3.924 5.031 -5.330 1.00 0.00 N ATOM 1133 CA PHE A 75 -4.899 3.960 -5.677 1.00 0.00 C ATOM 1134 C PHE A 75 -6.010 3.952 -4.629 1.00 0.00 C ATOM 1135 O PHE A 75 -7.183 3.913 -4.948 1.00 0.00 O ATOM 1136 CB PHE A 75 -4.195 2.606 -5.687 1.00 0.00 C ATOM 1137 CG PHE A 75 -5.155 1.541 -6.162 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -5.873 0.781 -5.232 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -5.327 1.316 -7.533 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -6.764 -0.205 -5.672 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -6.218 0.329 -7.973 1.00 0.00 C ATOM 1142 CZ PHE A 75 -6.936 -0.431 -7.043 1.00 0.00 C ATOM 0 H PHE A 75 -2.972 4.713 -5.151 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.320 4.148 -6.665 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.324 2.642 -6.341 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.834 2.365 -4.687 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.740 0.955 -4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.773 1.903 -8.251 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.319 -0.791 -4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.351 0.154 -9.030 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.623 -1.192 -7.383 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.647 4.006 -3.376 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.670 4.020 -2.303 1.00 0.00 C ATOM 1154 C VAL A 76 -7.502 5.295 -2.428 1.00 0.00 C ATOM 1155 O VAL A 76 -8.706 5.283 -2.272 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.969 3.991 -0.946 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.991 4.243 0.156 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -5.320 2.622 -0.736 1.00 0.00 C ATOM 0 H VAL A 76 -4.680 4.041 -3.053 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.322 3.151 -2.392 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.202 4.764 -0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.493 4.223 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.454 5.218 0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.757 3.469 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.820 2.601 0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.087 1.848 -0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.591 2.440 -1.525 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.863 6.396 -2.720 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.602 7.674 -2.867 1.00 0.00 C ATOM 1170 C VAL A 77 -8.664 7.518 -3.956 1.00 0.00 C ATOM 1171 O VAL A 77 -9.773 8.000 -3.834 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.616 8.767 -3.271 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -7.386 10.022 -3.663 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -5.693 9.082 -2.091 1.00 0.00 C ATOM 0 H VAL A 77 -5.855 6.461 -2.863 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.084 7.939 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.020 8.426 -4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.684 10.804 -3.952 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.045 9.798 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.981 10.363 -2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.988 9.862 -2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.288 9.424 -1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.144 8.184 -1.809 1.00 0.00 H new ATOM 1184 N GLY A 78 -8.324 6.854 -5.024 1.00 0.00 N ATOM 1185 CA GLY A 78 -9.299 6.665 -6.136 1.00 0.00 C ATOM 1186 C GLY A 78 -10.535 5.898 -5.651 1.00 0.00 C ATOM 1187 O GLY A 78 -11.634 6.132 -6.115 1.00 0.00 O ATOM 0 H GLY A 78 -7.408 6.431 -5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.599 7.635 -6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.825 6.121 -6.953 1.00 0.00 H new ATOM 1191 N ALA A 79 -10.374 4.975 -4.738 1.00 0.00 N ATOM 1192 CA ALA A 79 -11.557 4.197 -4.261 1.00 0.00 C ATOM 1193 C ALA A 79 -12.061 4.750 -2.928 1.00 0.00 C ATOM 1194 O ALA A 79 -13.238 5.000 -2.756 1.00 0.00 O ATOM 1195 CB ALA A 79 -11.158 2.730 -4.081 1.00 0.00 C ATOM 0 H ALA A 79 -9.484 4.728 -4.306 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.354 4.281 -5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.019 2.159 -3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.816 2.326 -5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.355 2.659 -3.348 1.00 0.00 H new ATOM 1201 N THR A 80 -11.182 4.950 -1.988 1.00 0.00 N ATOM 1202 CA THR A 80 -11.606 5.495 -0.666 1.00 0.00 C ATOM 1203 C THR A 80 -10.722 6.692 -0.323 1.00 0.00 C ATOM 1204 O THR A 80 -9.597 6.775 -0.763 1.00 0.00 O ATOM 1205 CB THR A 80 -11.448 4.417 0.409 1.00 0.00 C ATOM 1206 OG1 THR A 80 -10.070 4.256 0.716 1.00 0.00 O ATOM 1207 CG2 THR A 80 -12.016 3.094 -0.105 1.00 0.00 C ATOM 0 H THR A 80 -10.184 4.759 -2.077 1.00 0.00 H new ATOM 0 HA THR A 80 -12.650 5.804 -0.710 1.00 0.00 H new ATOM 0 HB THR A 80 -11.988 4.717 1.307 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.967 3.567 1.406 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.903 2.327 0.661 1.00 0.00 H new ATOM 0 HG22 THR A 80 -13.073 3.219 -0.340 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.478 2.791 -1.003 1.00 0.00 H new ATOM 1215 N THR A 81 -11.214 7.617 0.452 1.00 0.00 N ATOM 1216 CA THR A 81 -10.382 8.801 0.802 1.00 0.00 C ATOM 1217 C THR A 81 -10.546 9.144 2.287 1.00 0.00 C ATOM 1218 O THR A 81 -11.395 9.933 2.653 1.00 0.00 O ATOM 1219 CB THR A 81 -10.828 9.990 -0.050 1.00 0.00 C ATOM 1220 OG1 THR A 81 -9.988 11.104 0.217 1.00 0.00 O ATOM 1221 CG2 THR A 81 -12.276 10.347 0.286 1.00 0.00 C ATOM 0 H THR A 81 -12.150 7.605 0.856 1.00 0.00 H new ATOM 0 HA THR A 81 -9.333 8.575 0.609 1.00 0.00 H new ATOM 0 HB THR A 81 -10.758 9.727 -1.106 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.272 11.866 -0.330 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.592 11.195 -0.322 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.919 9.492 0.079 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.351 10.610 1.341 1.00 0.00 H new