USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 889 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0291 (180deg=-0.362) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -140:sc=0.000927 USER MOD Single : A 6 GLN : amide:sc= -0.256 K(o=-0.26,f=-5.3!) USER MOD Single : A 18 MET CE :methyl 176:sc= -0.191 (180deg=-0.233) USER MOD Single : A 19 MET CE :methyl 152:sc= -0.0147 (180deg=-1.08) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= -0.0463 (180deg=-0.117) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 140:sc= 0.57 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= -0.0157 (180deg=-0.22) USER MOD Single : A 65 SER OG : rot 110:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0693 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -13:sc= 0.183 USER MOD Single : A 101 GLN : amide:sc= -0.0388 K(o=-0.039,f=-0.85) USER MOD Single : A 102 LYS NZ :NH3+ -158:sc= -0.0769 (180deg=-0.535) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 106 MET CE :methyl -171:sc= -2.96! (180deg=-3.29!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.395 1.954 -4.929 1.00 0.00 N ATOM 2 CA MET A 1 2.836 1.694 -5.121 1.00 0.00 C ATOM 3 C MET A 1 3.661 2.536 -4.151 1.00 0.00 C ATOM 4 O MET A 1 3.426 3.737 -4.019 1.00 0.00 O ATOM 5 CB MET A 1 3.242 1.962 -6.575 1.00 0.00 C ATOM 6 CG MET A 1 4.726 1.681 -6.786 1.00 0.00 C ATOM 7 SD MET A 1 5.294 1.905 -8.496 1.00 0.00 S ATOM 8 CE MET A 1 4.395 0.552 -9.300 1.00 0.00 C ATOM 0 H1 MET A 1 0.846 1.374 -5.595 1.00 0.00 H new ATOM 0 H2 MET A 1 1.125 1.711 -3.955 1.00 0.00 H new ATOM 0 H3 MET A 1 1.198 2.960 -5.102 1.00 0.00 H new ATOM 0 HA MET A 1 3.035 0.644 -4.908 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.651 1.336 -7.243 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.024 2.998 -6.833 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.304 2.337 -6.135 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.937 0.657 -6.477 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.831 0.357 -10.280 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.465 -0.346 -8.687 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.348 0.830 -9.417 1.00 0.00 H new ATOM 20 N SER A 2 4.632 1.907 -3.475 1.00 0.00 N ATOM 21 CA SER A 2 5.477 2.587 -2.503 1.00 0.00 C ATOM 22 C SER A 2 6.498 3.478 -3.205 1.00 0.00 C ATOM 23 O SER A 2 6.634 3.437 -4.427 1.00 0.00 O ATOM 24 CB SER A 2 6.179 1.556 -1.624 1.00 0.00 C ATOM 25 OG SER A 2 7.102 0.819 -2.396 1.00 0.00 O ATOM 0 H SER A 2 4.848 0.917 -3.591 1.00 0.00 H new ATOM 0 HA SER A 2 4.852 3.223 -1.876 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.694 2.055 -0.803 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.445 0.884 -1.179 1.00 0.00 H new ATOM 0 HG SER A 2 7.551 0.160 -1.827 1.00 0.00 H new ATOM 31 N ALA A 3 7.218 4.290 -2.425 1.00 0.00 N ATOM 32 CA ALA A 3 8.195 5.231 -2.953 1.00 0.00 C ATOM 33 C ALA A 3 9.504 4.535 -3.351 1.00 0.00 C ATOM 34 O ALA A 3 10.469 5.208 -3.713 1.00 0.00 O ATOM 35 CB ALA A 3 8.452 6.320 -1.908 1.00 0.00 C ATOM 0 H ALA A 3 7.135 4.309 -1.409 1.00 0.00 H new ATOM 0 HA ALA A 3 7.791 5.680 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.183 7.030 -2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.520 6.841 -1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.836 5.865 -0.995 1.00 0.00 H new ATOM 41 N LEU A 4 9.549 3.201 -3.285 1.00 0.00 N ATOM 42 CA LEU A 4 10.751 2.449 -3.611 1.00 0.00 C ATOM 43 C LEU A 4 10.394 1.062 -4.145 1.00 0.00 C ATOM 44 O LEU A 4 10.130 0.142 -3.375 1.00 0.00 O ATOM 45 CB LEU A 4 11.634 2.366 -2.361 1.00 0.00 C ATOM 46 CG LEU A 4 12.814 1.402 -2.529 1.00 0.00 C ATOM 47 CD1 LEU A 4 13.662 1.776 -3.739 1.00 0.00 C ATOM 48 CD2 LEU A 4 13.695 1.470 -1.289 1.00 0.00 C ATOM 0 H LEU A 4 8.757 2.622 -3.006 1.00 0.00 H new ATOM 0 HA LEU A 4 11.304 2.958 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.014 3.360 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.027 2.046 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 4 12.415 0.398 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.491 1.075 -3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 4 13.049 1.736 -4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.053 2.785 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.536 0.786 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 4 14.068 2.486 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.112 1.186 -0.413 1.00 0.00 H new ATOM 60 N THR A 5 10.389 0.922 -5.474 1.00 0.00 N ATOM 61 CA THR A 5 10.182 -0.364 -6.129 1.00 0.00 C ATOM 62 C THR A 5 11.061 -0.552 -7.360 1.00 0.00 C ATOM 63 O THR A 5 11.473 -1.674 -7.650 1.00 0.00 O ATOM 64 CB THR A 5 8.704 -0.597 -6.474 1.00 0.00 C ATOM 65 OG1 THR A 5 8.396 0.047 -7.686 1.00 0.00 O ATOM 66 CG2 THR A 5 7.758 -0.092 -5.386 1.00 0.00 C ATOM 0 H THR A 5 10.528 1.698 -6.121 1.00 0.00 H new ATOM 0 HA THR A 5 10.485 -1.119 -5.404 1.00 0.00 H new ATOM 0 HB THR A 5 8.562 -1.674 -6.560 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.508 0.457 -7.622 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.727 -0.283 -5.683 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.968 -0.612 -4.451 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.903 0.979 -5.246 1.00 0.00 H new ATOM 74 N GLN A 6 11.356 0.532 -8.088 1.00 0.00 N ATOM 75 CA GLN A 6 12.184 0.452 -9.282 1.00 0.00 C ATOM 76 C GLN A 6 13.650 0.416 -8.860 1.00 0.00 C ATOM 77 O GLN A 6 14.183 1.424 -8.400 1.00 0.00 O ATOM 78 CB GLN A 6 11.919 1.662 -10.182 1.00 0.00 C ATOM 79 CG GLN A 6 10.420 1.953 -10.358 1.00 0.00 C ATOM 80 CD GLN A 6 9.665 0.799 -11.003 1.00 0.00 C ATOM 81 OE1 GLN A 6 10.253 -0.055 -11.662 1.00 0.00 O ATOM 82 NE2 GLN A 6 8.349 0.768 -10.812 1.00 0.00 N ATOM 0 H GLN A 6 11.030 1.472 -7.865 1.00 0.00 H new ATOM 0 HA GLN A 6 11.944 -0.452 -9.842 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.408 2.539 -9.758 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.368 1.488 -11.160 1.00 0.00 H new ATOM 0 HG2 GLN A 6 9.980 2.169 -9.384 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.298 2.847 -10.969 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.897 1.496 -10.258 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.792 0.017 -11.219 1.00 0.00 H new ATOM 91 N ILE A 7 14.304 -0.738 -9.008 1.00 0.00 N ATOM 92 CA ILE A 7 15.682 -0.896 -8.557 1.00 0.00 C ATOM 93 C ILE A 7 16.562 -1.496 -9.650 1.00 0.00 C ATOM 94 O ILE A 7 16.152 -2.429 -10.340 1.00 0.00 O ATOM 95 CB ILE A 7 15.703 -1.732 -7.268 1.00 0.00 C ATOM 96 CG1 ILE A 7 14.927 -0.981 -6.177 1.00 0.00 C ATOM 97 CG2 ILE A 7 17.149 -1.987 -6.825 1.00 0.00 C ATOM 98 CD1 ILE A 7 14.934 -1.734 -4.844 1.00 0.00 C ATOM 0 H ILE A 7 13.901 -1.572 -9.435 1.00 0.00 H new ATOM 0 HA ILE A 7 16.102 0.085 -8.336 1.00 0.00 H new ATOM 0 HB ILE A 7 15.231 -2.698 -7.447 1.00 0.00 H new ATOM 0 HG12 ILE A 7 15.364 0.008 -6.037 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.898 -0.831 -6.503 1.00 0.00 H new ATOM 0 HG21 ILE A 7 17.150 -2.580 -5.911 1.00 0.00 H new ATOM 0 HG22 ILE A 7 17.680 -2.527 -7.609 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.646 -1.035 -6.640 1.00 0.00 H new ATOM 0 HD11 ILE A 7 14.373 -1.166 -4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 7 14.472 -2.712 -4.976 1.00 0.00 H new ATOM 0 HD13 ILE A 7 15.962 -1.861 -4.503 1.00 0.00 H new ATOM 110 N LEU A 8 17.779 -0.959 -9.799 1.00 0.00 N ATOM 111 CA LEU A 8 18.780 -1.511 -10.700 1.00 0.00 C ATOM 112 C LEU A 8 19.827 -2.286 -9.901 1.00 0.00 C ATOM 113 O LEU A 8 20.057 -1.992 -8.731 1.00 0.00 O ATOM 114 CB LEU A 8 19.437 -0.391 -11.515 1.00 0.00 C ATOM 115 CG LEU A 8 20.095 -0.967 -12.775 1.00 0.00 C ATOM 116 CD1 LEU A 8 19.063 -1.083 -13.891 1.00 0.00 C ATOM 117 CD2 LEU A 8 21.243 -0.085 -13.257 1.00 0.00 C ATOM 0 H LEU A 8 18.091 -0.129 -9.295 1.00 0.00 H new ATOM 0 HA LEU A 8 18.295 -2.197 -11.395 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.690 0.352 -11.794 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.184 0.120 -10.908 1.00 0.00 H new ATOM 0 HG LEU A 8 20.491 -1.950 -12.521 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.536 -1.493 -14.783 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.256 -1.743 -13.573 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.658 -0.096 -14.116 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.687 -0.522 -14.151 1.00 0.00 H new ATOM 0 HD22 LEU A 8 20.864 0.910 -13.489 1.00 0.00 H new ATOM 0 HD23 LEU A 8 21.999 -0.012 -12.475 1.00 0.00 H new ATOM 129 N ILE A 9 20.462 -3.275 -10.531 1.00 0.00 N ATOM 130 CA ILE A 9 21.516 -4.061 -9.902 1.00 0.00 C ATOM 131 C ILE A 9 22.769 -4.003 -10.769 1.00 0.00 C ATOM 132 O ILE A 9 22.682 -4.002 -11.996 1.00 0.00 O ATOM 133 CB ILE A 9 21.042 -5.508 -9.705 1.00 0.00 C ATOM 134 CG1 ILE A 9 19.734 -5.564 -8.904 1.00 0.00 C ATOM 135 CG2 ILE A 9 22.118 -6.335 -8.995 1.00 0.00 C ATOM 136 CD1 ILE A 9 19.046 -6.913 -9.113 1.00 0.00 C ATOM 0 H ILE A 9 20.258 -3.551 -11.491 1.00 0.00 H new ATOM 0 HA ILE A 9 21.753 -3.650 -8.921 1.00 0.00 H new ATOM 0 HB ILE A 9 20.859 -5.930 -10.693 1.00 0.00 H new ATOM 0 HG12 ILE A 9 19.941 -5.413 -7.845 1.00 0.00 H new ATOM 0 HG13 ILE A 9 19.072 -4.757 -9.218 1.00 0.00 H new ATOM 0 HG21 ILE A 9 21.764 -7.358 -8.864 1.00 0.00 H new ATOM 0 HG22 ILE A 9 23.028 -6.340 -9.595 1.00 0.00 H new ATOM 0 HG23 ILE A 9 22.329 -5.897 -8.020 1.00 0.00 H new ATOM 0 HD11 ILE A 9 18.119 -6.941 -8.540 1.00 0.00 H new ATOM 0 HD12 ILE A 9 18.823 -7.047 -10.171 1.00 0.00 H new ATOM 0 HD13 ILE A 9 19.705 -7.713 -8.777 1.00 0.00 H new ATOM 148 N VAL A 10 23.939 -3.960 -10.132 1.00 0.00 N ATOM 149 CA VAL A 10 25.212 -3.983 -10.829 1.00 0.00 C ATOM 150 C VAL A 10 26.150 -4.970 -10.151 1.00 0.00 C ATOM 151 O VAL A 10 26.644 -4.715 -9.055 1.00 0.00 O ATOM 152 CB VAL A 10 25.818 -2.578 -10.916 1.00 0.00 C ATOM 153 CG1 VAL A 10 27.027 -2.603 -11.845 1.00 0.00 C ATOM 154 CG2 VAL A 10 24.795 -1.570 -11.445 1.00 0.00 C ATOM 0 H VAL A 10 24.024 -3.908 -9.117 1.00 0.00 H new ATOM 0 HA VAL A 10 25.053 -4.318 -11.854 1.00 0.00 H new ATOM 0 HB VAL A 10 26.120 -2.272 -9.914 1.00 0.00 H new ATOM 0 HG11 VAL A 10 27.459 -1.604 -11.907 1.00 0.00 H new ATOM 0 HG12 VAL A 10 27.772 -3.296 -11.454 1.00 0.00 H new ATOM 0 HG13 VAL A 10 26.716 -2.927 -12.838 1.00 0.00 H new ATOM 0 HG21 VAL A 10 25.251 -0.581 -11.497 1.00 0.00 H new ATOM 0 HG22 VAL A 10 24.468 -1.871 -12.440 1.00 0.00 H new ATOM 0 HG23 VAL A 10 23.936 -1.538 -10.775 1.00 0.00 H new ATOM 164 N GLU A 11 26.381 -6.099 -10.818 1.00 0.00 N ATOM 165 CA GLU A 11 27.114 -7.226 -10.257 1.00 0.00 C ATOM 166 C GLU A 11 27.810 -8.007 -11.364 1.00 0.00 C ATOM 167 O GLU A 11 27.516 -7.818 -12.544 1.00 0.00 O ATOM 168 CB GLU A 11 26.130 -8.141 -9.511 1.00 0.00 C ATOM 169 CG GLU A 11 26.202 -7.931 -8.000 1.00 0.00 C ATOM 170 CD GLU A 11 27.498 -8.491 -7.410 1.00 0.00 C ATOM 171 OE1 GLU A 11 27.737 -8.227 -6.213 1.00 0.00 O ATOM 172 OE2 GLU A 11 28.232 -9.174 -8.160 1.00 0.00 O ATOM 0 H GLU A 11 26.060 -6.256 -11.773 1.00 0.00 H new ATOM 0 HA GLU A 11 27.872 -6.857 -9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 11 25.116 -7.945 -9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 11 26.352 -9.182 -9.745 1.00 0.00 H new ATOM 0 HG2 GLU A 11 26.131 -6.866 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 11 25.348 -8.413 -7.525 1.00 0.00 H new ATOM 179 N ASP A 12 28.734 -8.890 -10.987 1.00 0.00 N ATOM 180 CA ASP A 12 29.381 -9.785 -11.935 1.00 0.00 C ATOM 181 C ASP A 12 29.501 -11.193 -11.338 1.00 0.00 C ATOM 182 O ASP A 12 29.959 -12.111 -12.018 1.00 0.00 O ATOM 183 CB ASP A 12 30.749 -9.215 -12.351 1.00 0.00 C ATOM 184 CG ASP A 12 31.765 -9.156 -11.209 1.00 0.00 C ATOM 185 OD1 ASP A 12 32.880 -8.660 -11.482 1.00 0.00 O ATOM 186 OD2 ASP A 12 31.433 -9.601 -10.091 1.00 0.00 O ATOM 0 H ASP A 12 29.050 -9.002 -10.024 1.00 0.00 H new ATOM 0 HA ASP A 12 28.771 -9.864 -12.835 1.00 0.00 H new ATOM 0 HB2 ASP A 12 31.157 -9.825 -13.157 1.00 0.00 H new ATOM 0 HB3 ASP A 12 30.608 -8.211 -12.752 1.00 0.00 H new ATOM 191 N GLU A 13 29.096 -11.375 -10.074 1.00 0.00 N ATOM 192 CA GLU A 13 29.035 -12.696 -9.468 1.00 0.00 C ATOM 193 C GLU A 13 27.663 -13.305 -9.751 1.00 0.00 C ATOM 194 O GLU A 13 26.650 -12.621 -9.593 1.00 0.00 O ATOM 195 CB GLU A 13 29.285 -12.585 -7.959 1.00 0.00 C ATOM 196 CG GLU A 13 29.314 -13.979 -7.330 1.00 0.00 C ATOM 197 CD GLU A 13 29.807 -13.952 -5.882 1.00 0.00 C ATOM 198 OE1 GLU A 13 29.730 -15.025 -5.240 1.00 0.00 O ATOM 199 OE2 GLU A 13 30.250 -12.872 -5.430 1.00 0.00 O ATOM 0 H GLU A 13 28.807 -10.617 -9.456 1.00 0.00 H new ATOM 0 HA GLU A 13 29.804 -13.342 -9.892 1.00 0.00 H new ATOM 0 HB2 GLU A 13 30.230 -12.074 -7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 13 28.503 -11.984 -7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 13 28.314 -14.411 -7.363 1.00 0.00 H new ATOM 0 HG3 GLU A 13 29.961 -14.628 -7.920 1.00 0.00 H new ATOM 206 N PRO A 14 27.601 -14.578 -10.165 1.00 0.00 N ATOM 207 CA PRO A 14 26.348 -15.224 -10.507 1.00 0.00 C ATOM 208 C PRO A 14 25.389 -15.263 -9.325 1.00 0.00 C ATOM 209 O PRO A 14 24.194 -15.019 -9.490 1.00 0.00 O ATOM 210 CB PRO A 14 26.718 -16.645 -10.941 1.00 0.00 C ATOM 211 CG PRO A 14 28.202 -16.571 -11.289 1.00 0.00 C ATOM 212 CD PRO A 14 28.730 -15.458 -10.388 1.00 0.00 C ATOM 0 HA PRO A 14 25.834 -14.674 -11.295 1.00 0.00 H new ATOM 0 HB2 PRO A 14 26.534 -17.363 -10.142 1.00 0.00 H new ATOM 0 HB3 PRO A 14 26.126 -16.964 -11.799 1.00 0.00 H new ATOM 0 HG2 PRO A 14 28.707 -17.517 -11.094 1.00 0.00 H new ATOM 0 HG3 PRO A 14 28.355 -16.339 -12.343 1.00 0.00 H new ATOM 0 HD2 PRO A 14 29.108 -15.859 -9.448 1.00 0.00 H new ATOM 0 HD3 PRO A 14 29.555 -14.927 -10.862 1.00 0.00 H new ATOM 220 N LEU A 15 25.912 -15.568 -8.135 1.00 0.00 N ATOM 221 CA LEU A 15 25.092 -15.788 -6.950 1.00 0.00 C ATOM 222 C LEU A 15 24.436 -14.501 -6.462 1.00 0.00 C ATOM 223 O LEU A 15 23.227 -14.465 -6.257 1.00 0.00 O ATOM 224 CB LEU A 15 25.963 -16.373 -5.836 1.00 0.00 C ATOM 225 CG LEU A 15 26.228 -17.863 -6.065 1.00 0.00 C ATOM 226 CD1 LEU A 15 27.273 -18.340 -5.066 1.00 0.00 C ATOM 227 CD2 LEU A 15 24.946 -18.665 -5.849 1.00 0.00 C ATOM 0 H LEU A 15 26.914 -15.668 -7.970 1.00 0.00 H new ATOM 0 HA LEU A 15 24.296 -16.483 -7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 15 26.910 -15.835 -5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 15 25.470 -16.232 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 15 26.579 -18.009 -7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 15 27.468 -19.401 -5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 15 28.195 -17.777 -5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 15 26.905 -18.184 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.147 -19.723 -6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.593 -18.518 -4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.183 -18.326 -6.550 1.00 0.00 H new ATOM 239 N ILE A 16 25.217 -13.438 -6.276 1.00 0.00 N ATOM 240 CA ILE A 16 24.685 -12.221 -5.680 1.00 0.00 C ATOM 241 C ILE A 16 23.698 -11.556 -6.645 1.00 0.00 C ATOM 242 O ILE A 16 22.836 -10.795 -6.220 1.00 0.00 O ATOM 243 CB ILE A 16 25.838 -11.279 -5.289 1.00 0.00 C ATOM 244 CG1 ILE A 16 27.010 -12.055 -4.668 1.00 0.00 C ATOM 245 CG2 ILE A 16 25.349 -10.209 -4.303 1.00 0.00 C ATOM 246 CD1 ILE A 16 26.599 -12.829 -3.411 1.00 0.00 C ATOM 0 H ILE A 16 26.205 -13.397 -6.526 1.00 0.00 H new ATOM 0 HA ILE A 16 24.139 -12.465 -4.769 1.00 0.00 H new ATOM 0 HB ILE A 16 26.189 -10.796 -6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 16 27.412 -12.751 -5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 16 27.810 -11.359 -4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 16 26.178 -9.552 -4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 16 24.555 -9.623 -4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 16 24.966 -10.691 -3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 16 27.463 -13.360 -3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 16 26.223 -12.133 -2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.818 -13.546 -3.664 1.00 0.00 H new ATOM 258 N ALA A 17 23.820 -11.842 -7.944 1.00 0.00 N ATOM 259 CA ALA A 17 22.912 -11.301 -8.939 1.00 0.00 C ATOM 260 C ALA A 17 21.601 -12.088 -8.957 1.00 0.00 C ATOM 261 O ALA A 17 20.529 -11.489 -8.992 1.00 0.00 O ATOM 262 CB ALA A 17 23.581 -11.341 -10.312 1.00 0.00 C ATOM 0 H ALA A 17 24.545 -12.449 -8.325 1.00 0.00 H new ATOM 0 HA ALA A 17 22.679 -10.267 -8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 17 22.900 -10.935 -11.060 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.493 -10.745 -10.290 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.827 -12.372 -10.567 1.00 0.00 H new ATOM 268 N MET A 18 21.667 -13.425 -8.927 1.00 0.00 N ATOM 269 CA MET A 18 20.460 -14.244 -8.991 1.00 0.00 C ATOM 270 C MET A 18 19.674 -14.143 -7.686 1.00 0.00 C ATOM 271 O MET A 18 18.459 -14.330 -7.679 1.00 0.00 O ATOM 272 CB MET A 18 20.817 -15.701 -9.301 1.00 0.00 C ATOM 273 CG MET A 18 21.614 -16.361 -8.173 1.00 0.00 C ATOM 274 SD MET A 18 21.870 -18.141 -8.402 1.00 0.00 S ATOM 275 CE MET A 18 22.930 -18.121 -9.872 1.00 0.00 C ATOM 0 H MET A 18 22.536 -13.954 -8.859 1.00 0.00 H new ATOM 0 HA MET A 18 19.829 -13.869 -9.797 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.902 -16.267 -9.475 1.00 0.00 H new ATOM 0 HB3 MET A 18 21.397 -15.742 -10.223 1.00 0.00 H new ATOM 0 HG2 MET A 18 22.584 -15.871 -8.092 1.00 0.00 H new ATOM 0 HG3 MET A 18 21.094 -16.197 -7.229 1.00 0.00 H new ATOM 0 HE1 MET A 18 23.242 -19.138 -10.110 1.00 0.00 H new ATOM 0 HE2 MET A 18 22.377 -17.705 -10.714 1.00 0.00 H new ATOM 0 HE3 MET A 18 23.810 -17.508 -9.678 1.00 0.00 H new ATOM 285 N MET A 19 20.362 -13.846 -6.584 1.00 0.00 N ATOM 286 CA MET A 19 19.711 -13.664 -5.296 1.00 0.00 C ATOM 287 C MET A 19 18.933 -12.349 -5.268 1.00 0.00 C ATOM 288 O MET A 19 17.837 -12.296 -4.716 1.00 0.00 O ATOM 289 CB MET A 19 20.761 -13.714 -4.180 1.00 0.00 C ATOM 290 CG MET A 19 21.222 -15.157 -3.965 1.00 0.00 C ATOM 291 SD MET A 19 22.455 -15.360 -2.655 1.00 0.00 S ATOM 292 CE MET A 19 21.421 -14.965 -1.222 1.00 0.00 C ATOM 0 H MET A 19 21.375 -13.727 -6.562 1.00 0.00 H new ATOM 0 HA MET A 19 18.996 -14.471 -5.136 1.00 0.00 H new ATOM 0 HB2 MET A 19 21.613 -13.086 -4.441 1.00 0.00 H new ATOM 0 HB3 MET A 19 20.342 -13.315 -3.256 1.00 0.00 H new ATOM 0 HG2 MET A 19 20.354 -15.772 -3.728 1.00 0.00 H new ATOM 0 HG3 MET A 19 21.636 -15.536 -4.899 1.00 0.00 H new ATOM 0 HE1 MET A 19 21.802 -15.486 -0.344 1.00 0.00 H new ATOM 0 HE2 MET A 19 21.442 -13.890 -1.044 1.00 0.00 H new ATOM 0 HE3 MET A 19 20.396 -15.281 -1.415 1.00 0.00 H new ATOM 302 N LEU A 20 19.492 -11.291 -5.859 1.00 0.00 N ATOM 303 CA LEU A 20 18.829 -9.993 -5.880 1.00 0.00 C ATOM 304 C LEU A 20 17.633 -10.009 -6.833 1.00 0.00 C ATOM 305 O LEU A 20 16.675 -9.269 -6.628 1.00 0.00 O ATOM 306 CB LEU A 20 19.839 -8.918 -6.289 1.00 0.00 C ATOM 307 CG LEU A 20 20.842 -8.648 -5.161 1.00 0.00 C ATOM 308 CD1 LEU A 20 21.942 -7.721 -5.670 1.00 0.00 C ATOM 309 CD2 LEU A 20 20.147 -7.996 -3.966 1.00 0.00 C ATOM 0 H LEU A 20 20.398 -11.311 -6.327 1.00 0.00 H new ATOM 0 HA LEU A 20 18.450 -9.767 -4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.371 -9.236 -7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.313 -7.997 -6.541 1.00 0.00 H new ATOM 0 HG LEU A 20 21.272 -9.598 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.655 -7.529 -4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 20 22.456 -8.192 -6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 20 21.502 -6.779 -5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 20 20.876 -7.813 -3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.702 -7.050 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.367 -8.659 -3.592 1.00 0.00 H new ATOM 321 N GLU A 21 17.677 -10.847 -7.872 1.00 0.00 N ATOM 322 CA GLU A 21 16.549 -10.988 -8.785 1.00 0.00 C ATOM 323 C GLU A 21 15.372 -11.662 -8.081 1.00 0.00 C ATOM 324 O GLU A 21 14.219 -11.297 -8.311 1.00 0.00 O ATOM 325 CB GLU A 21 16.976 -11.818 -9.997 1.00 0.00 C ATOM 326 CG GLU A 21 17.921 -11.029 -10.908 1.00 0.00 C ATOM 327 CD GLU A 21 17.188 -9.970 -11.736 1.00 0.00 C ATOM 328 OE1 GLU A 21 17.884 -9.266 -12.498 1.00 0.00 O ATOM 329 OE2 GLU A 21 15.947 -9.873 -11.600 1.00 0.00 O ATOM 0 H GLU A 21 18.480 -11.434 -8.098 1.00 0.00 H new ATOM 0 HA GLU A 21 16.234 -9.998 -9.114 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.469 -12.730 -9.660 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.094 -12.122 -10.561 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.686 -10.545 -10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.434 -11.718 -11.578 1.00 0.00 H new ATOM 336 N ASP A 22 15.661 -12.646 -7.224 1.00 0.00 N ATOM 337 CA ASP A 22 14.631 -13.403 -6.531 1.00 0.00 C ATOM 338 C ASP A 22 13.982 -12.570 -5.422 1.00 0.00 C ATOM 339 O ASP A 22 12.769 -12.623 -5.224 1.00 0.00 O ATOM 340 CB ASP A 22 15.266 -14.675 -5.963 1.00 0.00 C ATOM 341 CG ASP A 22 14.277 -15.528 -5.169 1.00 0.00 C ATOM 342 OD1 ASP A 22 13.063 -15.437 -5.452 1.00 0.00 O ATOM 343 OD2 ASP A 22 14.755 -16.271 -4.281 1.00 0.00 O ATOM 0 H ASP A 22 16.613 -12.934 -6.996 1.00 0.00 H new ATOM 0 HA ASP A 22 13.839 -13.668 -7.232 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.675 -15.268 -6.781 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.102 -14.402 -5.319 1.00 0.00 H new ATOM 348 N PHE A 23 14.791 -11.794 -4.696 1.00 0.00 N ATOM 349 CA PHE A 23 14.293 -11.033 -3.564 1.00 0.00 C ATOM 350 C PHE A 23 13.469 -9.800 -3.933 1.00 0.00 C ATOM 351 O PHE A 23 12.596 -9.395 -3.169 1.00 0.00 O ATOM 352 CB PHE A 23 15.435 -10.667 -2.619 1.00 0.00 C ATOM 353 CG PHE A 23 15.969 -11.839 -1.825 1.00 0.00 C ATOM 354 CD1 PHE A 23 15.101 -12.662 -1.091 1.00 0.00 C ATOM 355 CD2 PHE A 23 17.346 -12.104 -1.819 1.00 0.00 C ATOM 356 CE1 PHE A 23 15.609 -13.747 -0.364 1.00 0.00 C ATOM 357 CE2 PHE A 23 17.856 -13.186 -1.096 1.00 0.00 C ATOM 358 CZ PHE A 23 16.987 -14.011 -0.366 1.00 0.00 C ATOM 0 H PHE A 23 15.789 -11.681 -4.877 1.00 0.00 H new ATOM 0 HA PHE A 23 13.593 -11.695 -3.054 1.00 0.00 H new ATOM 0 HB2 PHE A 23 16.249 -10.232 -3.199 1.00 0.00 H new ATOM 0 HB3 PHE A 23 15.090 -9.898 -1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 23 14.040 -12.459 -1.086 1.00 0.00 H new ATOM 0 HD2 PHE A 23 18.017 -11.468 -2.377 1.00 0.00 H new ATOM 0 HE1 PHE A 23 14.939 -14.381 0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 23 18.917 -13.387 -1.099 1.00 0.00 H new ATOM 0 HZ PHE A 23 17.378 -14.848 0.193 1.00 0.00 H new ATOM 368 N LEU A 24 13.736 -9.192 -5.091 1.00 0.00 N ATOM 369 CA LEU A 24 12.999 -8.005 -5.487 1.00 0.00 C ATOM 370 C LEU A 24 11.617 -8.381 -6.008 1.00 0.00 C ATOM 371 O LEU A 24 10.654 -7.655 -5.766 1.00 0.00 O ATOM 372 CB LEU A 24 13.784 -7.237 -6.553 1.00 0.00 C ATOM 373 CG LEU A 24 15.033 -6.576 -5.962 1.00 0.00 C ATOM 374 CD1 LEU A 24 15.820 -5.917 -7.091 1.00 0.00 C ATOM 375 CD2 LEU A 24 14.652 -5.501 -4.943 1.00 0.00 C ATOM 0 H LEU A 24 14.445 -9.500 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 24 12.870 -7.364 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.075 -7.918 -7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.145 -6.475 -6.999 1.00 0.00 H new ATOM 0 HG LEU A 24 15.629 -7.340 -5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 24 16.713 -5.442 -6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 24 16.112 -6.673 -7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.199 -5.165 -7.577 1.00 0.00 H new ATOM 0 HD21 LEU A 24 15.556 -5.047 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 24 14.048 -4.735 -5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.079 -5.954 -4.133 1.00 0.00 H new ATOM 387 N GLU A 25 11.500 -9.502 -6.722 1.00 0.00 N ATOM 388 CA GLU A 25 10.226 -9.870 -7.321 1.00 0.00 C ATOM 389 C GLU A 25 9.274 -10.462 -6.277 1.00 0.00 C ATOM 390 O GLU A 25 8.059 -10.401 -6.459 1.00 0.00 O ATOM 391 CB GLU A 25 10.459 -10.833 -8.488 1.00 0.00 C ATOM 392 CG GLU A 25 10.972 -12.198 -8.027 1.00 0.00 C ATOM 393 CD GLU A 25 11.228 -13.131 -9.212 1.00 0.00 C ATOM 394 OE1 GLU A 25 10.901 -12.734 -10.354 1.00 0.00 O ATOM 395 OE2 GLU A 25 11.752 -14.241 -8.964 1.00 0.00 O ATOM 0 H GLU A 25 12.261 -10.158 -6.895 1.00 0.00 H new ATOM 0 HA GLU A 25 9.747 -8.972 -7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.527 -10.965 -9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.177 -10.393 -9.180 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.893 -12.069 -7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.244 -12.653 -7.355 1.00 0.00 H new ATOM 402 N VAL A 26 9.806 -11.030 -5.189 1.00 0.00 N ATOM 403 CA VAL A 26 8.964 -11.550 -4.116 1.00 0.00 C ATOM 404 C VAL A 26 8.478 -10.440 -3.184 1.00 0.00 C ATOM 405 O VAL A 26 7.437 -10.581 -2.543 1.00 0.00 O ATOM 406 CB VAL A 26 9.705 -12.662 -3.363 1.00 0.00 C ATOM 407 CG1 VAL A 26 10.798 -12.085 -2.469 1.00 0.00 C ATOM 408 CG2 VAL A 26 8.730 -13.457 -2.496 1.00 0.00 C ATOM 0 H VAL A 26 10.808 -11.139 -5.032 1.00 0.00 H new ATOM 0 HA VAL A 26 8.066 -11.982 -4.558 1.00 0.00 H new ATOM 0 HB VAL A 26 10.159 -13.316 -4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.307 -12.895 -1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.517 -11.539 -3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.352 -11.408 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.270 -14.243 -1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.260 -12.791 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.964 -13.906 -3.128 1.00 0.00 H new ATOM 418 N LEU A 27 9.229 -9.334 -3.106 1.00 0.00 N ATOM 419 CA LEU A 27 8.821 -8.155 -2.347 1.00 0.00 C ATOM 420 C LEU A 27 7.855 -7.291 -3.161 1.00 0.00 C ATOM 421 O LEU A 27 7.575 -6.154 -2.785 1.00 0.00 O ATOM 422 CB LEU A 27 10.056 -7.340 -1.951 1.00 0.00 C ATOM 423 CG LEU A 27 10.913 -8.063 -0.904 1.00 0.00 C ATOM 424 CD1 LEU A 27 12.201 -7.265 -0.688 1.00 0.00 C ATOM 425 CD2 LEU A 27 10.167 -8.163 0.425 1.00 0.00 C ATOM 0 H LEU A 27 10.133 -9.236 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 27 8.304 -8.484 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.658 -7.141 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.741 -6.374 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 27 11.136 -9.069 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.820 -7.768 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.747 -7.194 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.954 -6.263 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.791 -8.679 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.936 -7.162 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.241 -8.720 0.281 1.00 0.00 H new ATOM 437 N ASP A 28 7.343 -7.825 -4.274 1.00 0.00 N ATOM 438 CA ASP A 28 6.484 -7.087 -5.190 1.00 0.00 C ATOM 439 C ASP A 28 7.132 -5.812 -5.735 1.00 0.00 C ATOM 440 O ASP A 28 6.436 -4.892 -6.168 1.00 0.00 O ATOM 441 CB ASP A 28 5.099 -6.846 -4.569 1.00 0.00 C ATOM 442 CG ASP A 28 4.289 -8.137 -4.422 1.00 0.00 C ATOM 443 OD1 ASP A 28 3.198 -8.057 -3.817 1.00 0.00 O ATOM 444 OD2 ASP A 28 4.756 -9.189 -4.913 1.00 0.00 O ATOM 0 H ASP A 28 7.517 -8.788 -4.562 1.00 0.00 H new ATOM 0 HA ASP A 28 6.339 -7.715 -6.069 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.219 -6.383 -3.590 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.544 -6.142 -5.189 1.00 0.00 H new ATOM 449 N LYS A 29 8.469 -5.761 -5.715 1.00 0.00 N ATOM 450 CA LYS A 29 9.232 -4.666 -6.300 1.00 0.00 C ATOM 451 C LYS A 29 9.592 -5.006 -7.744 1.00 0.00 C ATOM 452 O LYS A 29 9.231 -6.069 -8.240 1.00 0.00 O ATOM 453 CB LYS A 29 10.478 -4.378 -5.455 1.00 0.00 C ATOM 454 CG LYS A 29 10.068 -3.829 -4.088 1.00 0.00 C ATOM 455 CD LYS A 29 11.315 -3.494 -3.266 1.00 0.00 C ATOM 456 CE LYS A 29 10.927 -2.742 -1.991 1.00 0.00 C ATOM 457 NZ LYS A 29 10.025 -3.547 -1.146 1.00 0.00 N ATOM 0 H LYS A 29 9.049 -6.484 -5.289 1.00 0.00 H new ATOM 0 HA LYS A 29 8.627 -3.760 -6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.061 -5.290 -5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.117 -3.659 -5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.454 -2.937 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.460 -4.563 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.845 -4.411 -3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.998 -2.887 -3.860 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.825 -2.488 -1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.440 -1.803 -2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.875 -3.062 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.112 -3.667 -1.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.451 -4.480 -0.974 1.00 0.00 H new ATOM 471 N THR A 30 10.302 -4.102 -8.415 1.00 0.00 N ATOM 472 CA THR A 30 10.608 -4.242 -9.829 1.00 0.00 C ATOM 473 C THR A 30 12.093 -4.098 -10.143 1.00 0.00 C ATOM 474 O THR A 30 12.623 -2.988 -10.114 1.00 0.00 O ATOM 475 CB THR A 30 9.766 -3.256 -10.646 1.00 0.00 C ATOM 476 OG1 THR A 30 8.450 -3.206 -10.138 1.00 0.00 O ATOM 477 CG2 THR A 30 9.735 -3.672 -12.114 1.00 0.00 C ATOM 0 H THR A 30 10.679 -3.254 -7.991 1.00 0.00 H new ATOM 0 HA THR A 30 10.347 -5.261 -10.115 1.00 0.00 H new ATOM 0 HB THR A 30 10.219 -2.267 -10.569 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.920 -2.572 -10.665 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.133 -2.962 -12.681 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.750 -3.684 -12.510 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.299 -4.667 -12.201 1.00 0.00 H new ATOM 485 N PRO A 31 12.779 -5.210 -10.446 1.00 0.00 N ATOM 486 CA PRO A 31 14.132 -5.180 -10.966 1.00 0.00 C ATOM 487 C PRO A 31 14.094 -4.671 -12.406 1.00 0.00 C ATOM 488 O PRO A 31 13.802 -5.431 -13.331 1.00 0.00 O ATOM 489 CB PRO A 31 14.634 -6.623 -10.883 1.00 0.00 C ATOM 490 CG PRO A 31 13.365 -7.475 -10.884 1.00 0.00 C ATOM 491 CD PRO A 31 12.285 -6.566 -10.304 1.00 0.00 C ATOM 0 HA PRO A 31 14.794 -4.517 -10.409 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.276 -6.868 -11.729 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.221 -6.787 -9.979 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.108 -7.801 -11.892 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.492 -8.374 -10.281 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.342 -6.694 -10.835 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.097 -6.804 -9.257 1.00 0.00 H new ATOM 499 N VAL A 32 14.386 -3.379 -12.599 1.00 0.00 N ATOM 500 CA VAL A 32 14.275 -2.744 -13.907 1.00 0.00 C ATOM 501 C VAL A 32 15.486 -3.012 -14.800 1.00 0.00 C ATOM 502 O VAL A 32 15.529 -2.540 -15.935 1.00 0.00 O ATOM 503 CB VAL A 32 14.001 -1.244 -13.759 1.00 0.00 C ATOM 504 CG1 VAL A 32 12.861 -1.005 -12.777 1.00 0.00 C ATOM 505 CG2 VAL A 32 15.239 -0.499 -13.259 1.00 0.00 C ATOM 0 H VAL A 32 14.702 -2.754 -11.857 1.00 0.00 H new ATOM 0 HA VAL A 32 13.423 -3.199 -14.413 1.00 0.00 H new ATOM 0 HB VAL A 32 13.730 -0.867 -14.745 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.680 0.066 -12.684 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.958 -1.496 -13.141 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.128 -1.414 -11.803 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.011 0.563 -13.165 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.534 -0.895 -12.287 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.056 -0.633 -13.968 1.00 0.00 H new ATOM 515 N GLY A 33 16.473 -3.759 -14.299 1.00 0.00 N ATOM 516 CA GLY A 33 17.605 -4.164 -15.116 1.00 0.00 C ATOM 517 C GLY A 33 18.798 -4.585 -14.270 1.00 0.00 C ATOM 518 O GLY A 33 18.863 -4.290 -13.075 1.00 0.00 O ATOM 0 H GLY A 33 16.506 -4.091 -13.335 1.00 0.00 H new ATOM 0 HA2 GLY A 33 17.309 -4.991 -15.761 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.895 -3.340 -15.767 1.00 0.00 H new ATOM 522 N THR A 34 19.743 -5.278 -14.907 1.00 0.00 N ATOM 523 CA THR A 34 21.006 -5.660 -14.294 1.00 0.00 C ATOM 524 C THR A 34 22.128 -5.586 -15.317 1.00 0.00 C ATOM 525 O THR A 34 21.972 -6.054 -16.445 1.00 0.00 O ATOM 526 CB THR A 34 20.903 -7.062 -13.674 1.00 0.00 C ATOM 527 OG1 THR A 34 19.795 -7.115 -12.805 1.00 0.00 O ATOM 528 CG2 THR A 34 22.181 -7.397 -12.906 1.00 0.00 C ATOM 0 H THR A 34 19.647 -5.591 -15.873 1.00 0.00 H new ATOM 0 HA THR A 34 21.235 -4.960 -13.490 1.00 0.00 H new ATOM 0 HB THR A 34 20.773 -7.793 -14.472 1.00 0.00 H new ATOM 0 HG1 THR A 34 19.337 -7.975 -12.911 1.00 0.00 H new ATOM 0 HG21 THR A 34 22.094 -8.393 -12.472 1.00 0.00 H new ATOM 0 HG22 THR A 34 23.032 -7.371 -13.587 1.00 0.00 H new ATOM 0 HG23 THR A 34 22.330 -6.666 -12.111 1.00 0.00 H new ATOM 536 N VAL A 35 23.260 -4.996 -14.925 1.00 0.00 N ATOM 537 CA VAL A 35 24.382 -4.795 -15.824 1.00 0.00 C ATOM 538 C VAL A 35 25.706 -5.177 -15.159 1.00 0.00 C ATOM 539 O VAL A 35 25.781 -5.279 -13.936 1.00 0.00 O ATOM 540 CB VAL A 35 24.397 -3.353 -16.353 1.00 0.00 C ATOM 541 CG1 VAL A 35 23.014 -2.927 -16.847 1.00 0.00 C ATOM 542 CG2 VAL A 35 24.821 -2.387 -15.255 1.00 0.00 C ATOM 0 H VAL A 35 23.417 -4.648 -13.979 1.00 0.00 H new ATOM 0 HA VAL A 35 24.259 -5.459 -16.680 1.00 0.00 H new ATOM 0 HB VAL A 35 25.106 -3.324 -17.181 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.059 -1.902 -17.215 1.00 0.00 H new ATOM 0 HG12 VAL A 35 22.696 -3.588 -17.653 1.00 0.00 H new ATOM 0 HG13 VAL A 35 22.300 -2.987 -16.026 1.00 0.00 H new ATOM 0 HG21 VAL A 35 24.826 -1.370 -15.647 1.00 0.00 H new ATOM 0 HG22 VAL A 35 24.120 -2.452 -14.423 1.00 0.00 H new ATOM 0 HG23 VAL A 35 25.821 -2.647 -14.908 1.00 0.00 H new ATOM 552 N ASP A 36 26.746 -5.385 -15.970 1.00 0.00 N ATOM 553 CA ASP A 36 28.053 -5.821 -15.490 1.00 0.00 C ATOM 554 C ASP A 36 29.199 -4.884 -15.888 1.00 0.00 C ATOM 555 O ASP A 36 30.367 -5.183 -15.638 1.00 0.00 O ATOM 556 CB ASP A 36 28.329 -7.271 -15.906 1.00 0.00 C ATOM 557 CG ASP A 36 28.068 -7.533 -17.394 1.00 0.00 C ATOM 558 OD1 ASP A 36 28.168 -8.719 -17.783 1.00 0.00 O ATOM 559 OD2 ASP A 36 27.772 -6.566 -18.128 1.00 0.00 O ATOM 0 H ASP A 36 26.702 -5.254 -16.981 1.00 0.00 H new ATOM 0 HA ASP A 36 28.013 -5.776 -14.402 1.00 0.00 H new ATOM 0 HB2 ASP A 36 29.366 -7.517 -15.677 1.00 0.00 H new ATOM 0 HB3 ASP A 36 27.705 -7.938 -15.311 1.00 0.00 H new ATOM 564 N THR A 37 28.861 -3.748 -16.506 1.00 0.00 N ATOM 565 CA THR A 37 29.823 -2.716 -16.881 1.00 0.00 C ATOM 566 C THR A 37 29.305 -1.320 -16.568 1.00 0.00 C ATOM 567 O THR A 37 28.094 -1.103 -16.503 1.00 0.00 O ATOM 568 CB THR A 37 30.259 -2.830 -18.342 1.00 0.00 C ATOM 569 OG1 THR A 37 29.291 -2.219 -19.171 1.00 0.00 O ATOM 570 CG2 THR A 37 30.452 -4.284 -18.774 1.00 0.00 C ATOM 0 H THR A 37 27.900 -3.520 -16.761 1.00 0.00 H new ATOM 0 HA THR A 37 30.709 -2.885 -16.269 1.00 0.00 H new ATOM 0 HB THR A 37 31.220 -2.324 -18.440 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.571 -2.290 -20.108 1.00 0.00 H new ATOM 0 HG21 THR A 37 30.761 -4.315 -19.819 1.00 0.00 H new ATOM 0 HG22 THR A 37 31.219 -4.749 -18.154 1.00 0.00 H new ATOM 0 HG23 THR A 37 29.513 -4.826 -18.657 1.00 0.00 H new ATOM 578 N VAL A 38 30.216 -0.362 -16.377 1.00 0.00 N ATOM 579 CA VAL A 38 29.815 0.991 -16.026 1.00 0.00 C ATOM 580 C VAL A 38 29.160 1.734 -17.186 1.00 0.00 C ATOM 581 O VAL A 38 28.380 2.657 -16.964 1.00 0.00 O ATOM 582 CB VAL A 38 30.977 1.791 -15.420 1.00 0.00 C ATOM 583 CG1 VAL A 38 31.865 0.907 -14.540 1.00 0.00 C ATOM 584 CG2 VAL A 38 31.838 2.435 -16.503 1.00 0.00 C ATOM 0 H VAL A 38 31.223 -0.501 -16.460 1.00 0.00 H new ATOM 0 HA VAL A 38 29.050 0.892 -15.256 1.00 0.00 H new ATOM 0 HB VAL A 38 30.529 2.573 -14.807 1.00 0.00 H new ATOM 0 HG11 VAL A 38 32.678 1.504 -14.127 1.00 0.00 H new ATOM 0 HG12 VAL A 38 31.271 0.490 -13.727 1.00 0.00 H new ATOM 0 HG13 VAL A 38 32.279 0.096 -15.139 1.00 0.00 H new ATOM 0 HG21 VAL A 38 32.651 2.993 -16.038 1.00 0.00 H new ATOM 0 HG22 VAL A 38 32.253 1.660 -17.147 1.00 0.00 H new ATOM 0 HG23 VAL A 38 31.227 3.113 -17.099 1.00 0.00 H new ATOM 594 N ALA A 39 29.471 1.337 -18.421 1.00 0.00 N ATOM 595 CA ALA A 39 28.870 1.951 -19.590 1.00 0.00 C ATOM 596 C ALA A 39 27.386 1.605 -19.659 1.00 0.00 C ATOM 597 O ALA A 39 26.577 2.423 -20.092 1.00 0.00 O ATOM 598 CB ALA A 39 29.598 1.462 -20.842 1.00 0.00 C ATOM 0 H ALA A 39 30.136 0.593 -18.630 1.00 0.00 H new ATOM 0 HA ALA A 39 28.962 3.035 -19.525 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.151 1.920 -21.725 1.00 0.00 H new ATOM 0 HB2 ALA A 39 30.650 1.739 -20.783 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.512 0.378 -20.913 1.00 0.00 H new ATOM 604 N GLY A 40 27.033 0.391 -19.229 1.00 0.00 N ATOM 605 CA GLY A 40 25.642 -0.029 -19.177 1.00 0.00 C ATOM 606 C GLY A 40 24.958 0.535 -17.935 1.00 0.00 C ATOM 607 O GLY A 40 23.766 0.833 -17.966 1.00 0.00 O ATOM 0 H GLY A 40 27.697 -0.315 -18.913 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.120 0.310 -20.072 1.00 0.00 H new ATOM 0 HA3 GLY A 40 25.585 -1.117 -19.168 1.00 0.00 H new ATOM 611 N ALA A 41 25.707 0.685 -16.840 1.00 0.00 N ATOM 612 CA ALA A 41 25.154 1.194 -15.599 1.00 0.00 C ATOM 613 C ALA A 41 24.831 2.683 -15.721 1.00 0.00 C ATOM 614 O ALA A 41 23.829 3.147 -15.179 1.00 0.00 O ATOM 615 CB ALA A 41 26.155 0.951 -14.475 1.00 0.00 C ATOM 0 H ALA A 41 26.700 0.458 -16.796 1.00 0.00 H new ATOM 0 HA ALA A 41 24.224 0.672 -15.376 1.00 0.00 H new ATOM 0 HB1 ALA A 41 25.748 1.330 -13.537 1.00 0.00 H new ATOM 0 HB2 ALA A 41 26.345 -0.118 -14.382 1.00 0.00 H new ATOM 0 HB3 ALA A 41 27.088 1.467 -14.701 1.00 0.00 H new ATOM 621 N LEU A 42 25.675 3.435 -16.436 1.00 0.00 N ATOM 622 CA LEU A 42 25.437 4.851 -16.658 1.00 0.00 C ATOM 623 C LEU A 42 24.290 5.036 -17.645 1.00 0.00 C ATOM 624 O LEU A 42 23.555 6.017 -17.558 1.00 0.00 O ATOM 625 CB LEU A 42 26.715 5.507 -17.200 1.00 0.00 C ATOM 626 CG LEU A 42 27.790 5.634 -16.116 1.00 0.00 C ATOM 627 CD1 LEU A 42 29.102 6.076 -16.758 1.00 0.00 C ATOM 628 CD2 LEU A 42 27.384 6.667 -15.066 1.00 0.00 C ATOM 0 H LEU A 42 26.528 3.079 -16.868 1.00 0.00 H new ATOM 0 HA LEU A 42 25.166 5.325 -15.715 1.00 0.00 H new ATOM 0 HB2 LEU A 42 27.103 4.917 -18.030 1.00 0.00 H new ATOM 0 HB3 LEU A 42 26.478 6.495 -17.595 1.00 0.00 H new ATOM 0 HG LEU A 42 27.908 4.665 -15.632 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.870 6.168 -15.990 1.00 0.00 H new ATOM 0 HD12 LEU A 42 29.413 5.337 -17.496 1.00 0.00 H new ATOM 0 HD13 LEU A 42 28.961 7.040 -17.247 1.00 0.00 H new ATOM 0 HD21 LEU A 42 28.163 6.740 -14.307 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.251 7.638 -15.543 1.00 0.00 H new ATOM 0 HD23 LEU A 42 26.448 6.361 -14.598 1.00 0.00 H new ATOM 640 N ALA A 43 24.131 4.100 -18.585 1.00 0.00 N ATOM 641 CA ALA A 43 23.068 4.177 -19.572 1.00 0.00 C ATOM 642 C ALA A 43 21.714 3.817 -18.955 1.00 0.00 C ATOM 643 O ALA A 43 20.685 4.322 -19.400 1.00 0.00 O ATOM 644 CB ALA A 43 23.396 3.234 -20.731 1.00 0.00 C ATOM 0 H ALA A 43 24.731 3.280 -18.677 1.00 0.00 H new ATOM 0 HA ALA A 43 22.998 5.201 -19.940 1.00 0.00 H new ATOM 0 HB1 ALA A 43 22.603 3.285 -21.477 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.341 3.531 -21.185 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.478 2.213 -20.358 1.00 0.00 H new ATOM 650 N ARG A 44 21.708 2.947 -17.940 1.00 0.00 N ATOM 651 CA ARG A 44 20.471 2.510 -17.303 1.00 0.00 C ATOM 652 C ARG A 44 20.022 3.458 -16.197 1.00 0.00 C ATOM 653 O ARG A 44 18.822 3.640 -16.010 1.00 0.00 O ATOM 654 CB ARG A 44 20.644 1.087 -16.763 1.00 0.00 C ATOM 655 CG ARG A 44 20.686 0.050 -17.896 1.00 0.00 C ATOM 656 CD ARG A 44 19.393 0.029 -18.718 1.00 0.00 C ATOM 657 NE ARG A 44 18.221 -0.282 -17.885 1.00 0.00 N ATOM 658 CZ ARG A 44 17.097 0.444 -17.877 1.00 0.00 C ATOM 659 NH1 ARG A 44 16.986 1.532 -18.630 1.00 0.00 N ATOM 660 NH2 ARG A 44 16.077 0.078 -17.110 1.00 0.00 N ATOM 0 H ARG A 44 22.552 2.533 -17.544 1.00 0.00 H new ATOM 0 HA ARG A 44 19.686 2.519 -18.059 1.00 0.00 H new ATOM 0 HB2 ARG A 44 21.564 1.028 -16.181 1.00 0.00 H new ATOM 0 HB3 ARG A 44 19.823 0.853 -16.085 1.00 0.00 H new ATOM 0 HG2 ARG A 44 21.528 0.268 -18.553 1.00 0.00 H new ATOM 0 HG3 ARG A 44 20.860 -0.939 -17.473 1.00 0.00 H new ATOM 0 HD2 ARG A 44 19.251 0.998 -19.198 1.00 0.00 H new ATOM 0 HD3 ARG A 44 19.480 -0.711 -19.514 1.00 0.00 H new ATOM 0 HE ARG A 44 18.268 -1.100 -17.277 1.00 0.00 H new ATOM 0 HH11 ARG A 44 17.763 1.823 -19.223 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.124 2.077 -18.615 1.00 0.00 H new ATOM 0 HH21 ARG A 44 16.151 -0.756 -16.527 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.220 0.631 -17.103 1.00 0.00 H new ATOM 674 N VAL A 45 20.955 4.066 -15.463 1.00 0.00 N ATOM 675 CA VAL A 45 20.580 5.036 -14.439 1.00 0.00 C ATOM 676 C VAL A 45 20.179 6.383 -15.043 1.00 0.00 C ATOM 677 O VAL A 45 19.440 7.141 -14.420 1.00 0.00 O ATOM 678 CB VAL A 45 21.674 5.168 -13.373 1.00 0.00 C ATOM 679 CG1 VAL A 45 22.834 6.044 -13.839 1.00 0.00 C ATOM 680 CG2 VAL A 45 21.083 5.787 -12.109 1.00 0.00 C ATOM 0 H VAL A 45 21.958 3.907 -15.557 1.00 0.00 H new ATOM 0 HA VAL A 45 19.691 4.657 -13.935 1.00 0.00 H new ATOM 0 HB VAL A 45 22.056 4.166 -13.179 1.00 0.00 H new ATOM 0 HG11 VAL A 45 23.583 6.107 -13.049 1.00 0.00 H new ATOM 0 HG12 VAL A 45 23.283 5.608 -14.731 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.465 7.044 -14.070 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.861 5.881 -11.352 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.681 6.774 -12.340 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.284 5.149 -11.731 1.00 0.00 H new ATOM 690 N GLU A 46 20.661 6.676 -16.256 1.00 0.00 N ATOM 691 CA GLU A 46 20.305 7.894 -16.964 1.00 0.00 C ATOM 692 C GLU A 46 18.883 7.809 -17.519 1.00 0.00 C ATOM 693 O GLU A 46 18.283 8.828 -17.859 1.00 0.00 O ATOM 694 CB GLU A 46 21.342 8.137 -18.071 1.00 0.00 C ATOM 695 CG GLU A 46 20.978 9.296 -19.007 1.00 0.00 C ATOM 696 CD GLU A 46 20.857 10.645 -18.292 1.00 0.00 C ATOM 697 OE1 GLU A 46 21.126 10.698 -17.071 1.00 0.00 O ATOM 698 OE2 GLU A 46 20.492 11.620 -18.984 1.00 0.00 O ATOM 0 H GLU A 46 21.306 6.073 -16.766 1.00 0.00 H new ATOM 0 HA GLU A 46 20.317 8.741 -16.278 1.00 0.00 H new ATOM 0 HB2 GLU A 46 22.310 8.341 -17.613 1.00 0.00 H new ATOM 0 HB3 GLU A 46 21.453 7.226 -18.660 1.00 0.00 H new ATOM 0 HG2 GLU A 46 21.735 9.374 -19.787 1.00 0.00 H new ATOM 0 HG3 GLU A 46 20.033 9.070 -19.502 1.00 0.00 H new ATOM 705 N ASP A 47 18.330 6.592 -17.615 1.00 0.00 N ATOM 706 CA ASP A 47 16.966 6.391 -18.090 1.00 0.00 C ATOM 707 C ASP A 47 15.999 7.026 -17.088 1.00 0.00 C ATOM 708 O ASP A 47 14.882 7.408 -17.440 1.00 0.00 O ATOM 709 CB ASP A 47 16.709 4.887 -18.194 1.00 0.00 C ATOM 710 CG ASP A 47 15.388 4.564 -18.894 1.00 0.00 C ATOM 711 OD1 ASP A 47 14.930 3.411 -18.730 1.00 0.00 O ATOM 712 OD2 ASP A 47 14.850 5.465 -19.579 1.00 0.00 O ATOM 0 H ASP A 47 18.816 5.730 -17.367 1.00 0.00 H new ATOM 0 HA ASP A 47 16.821 6.852 -19.067 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.529 4.419 -18.739 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.702 4.453 -17.194 1.00 0.00 H new ATOM 717 N GLY A 48 16.432 7.139 -15.826 1.00 0.00 N ATOM 718 CA GLY A 48 15.658 7.790 -14.778 1.00 0.00 C ATOM 719 C GLY A 48 14.443 6.960 -14.372 1.00 0.00 C ATOM 720 O GLY A 48 14.234 5.854 -14.871 1.00 0.00 O ATOM 0 H GLY A 48 17.332 6.779 -15.509 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.292 7.956 -13.907 1.00 0.00 H new ATOM 0 HA3 GLY A 48 15.330 8.770 -15.124 1.00 0.00 H new ATOM 724 N GLY A 49 13.639 7.506 -13.455 1.00 0.00 N ATOM 725 CA GLY A 49 12.453 6.828 -12.941 1.00 0.00 C ATOM 726 C GLY A 49 12.826 5.717 -11.955 1.00 0.00 C ATOM 727 O GLY A 49 11.946 5.034 -11.430 1.00 0.00 O ATOM 0 H GLY A 49 13.795 8.429 -13.051 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.804 7.551 -12.447 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.886 6.405 -13.770 1.00 0.00 H new ATOM 731 N ILE A 50 14.127 5.535 -11.705 1.00 0.00 N ATOM 732 CA ILE A 50 14.629 4.519 -10.792 1.00 0.00 C ATOM 733 C ILE A 50 14.616 5.059 -9.360 1.00 0.00 C ATOM 734 O ILE A 50 14.896 6.237 -9.138 1.00 0.00 O ATOM 735 CB ILE A 50 16.025 4.084 -11.239 1.00 0.00 C ATOM 736 CG1 ILE A 50 15.926 3.456 -12.636 1.00 0.00 C ATOM 737 CG2 ILE A 50 16.616 3.088 -10.242 1.00 0.00 C ATOM 738 CD1 ILE A 50 17.297 3.055 -13.167 1.00 0.00 C ATOM 0 H ILE A 50 14.861 6.096 -12.137 1.00 0.00 H new ATOM 0 HA ILE A 50 13.986 3.639 -10.810 1.00 0.00 H new ATOM 0 HB ILE A 50 16.685 4.951 -11.278 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.279 2.579 -12.597 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.462 4.164 -13.322 1.00 0.00 H new ATOM 0 HG21 ILE A 50 17.610 2.787 -10.574 1.00 0.00 H new ATOM 0 HG22 ILE A 50 16.687 3.555 -9.260 1.00 0.00 H new ATOM 0 HG23 ILE A 50 15.973 2.210 -10.180 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.189 2.614 -14.158 1.00 0.00 H new ATOM 0 HD12 ILE A 50 17.935 3.937 -13.230 1.00 0.00 H new ATOM 0 HD13 ILE A 50 17.749 2.327 -12.493 1.00 0.00 H new ATOM 750 N ASP A 51 14.293 4.195 -8.392 1.00 0.00 N ATOM 751 CA ASP A 51 14.146 4.599 -7.000 1.00 0.00 C ATOM 752 C ASP A 51 15.405 4.297 -6.188 1.00 0.00 C ATOM 753 O ASP A 51 15.621 4.921 -5.150 1.00 0.00 O ATOM 754 CB ASP A 51 12.950 3.864 -6.391 1.00 0.00 C ATOM 755 CG ASP A 51 11.650 4.118 -7.157 1.00 0.00 C ATOM 756 OD1 ASP A 51 10.764 3.238 -7.061 1.00 0.00 O ATOM 757 OD2 ASP A 51 11.559 5.172 -7.824 1.00 0.00 O ATOM 0 H ASP A 51 14.128 3.202 -8.556 1.00 0.00 H new ATOM 0 HA ASP A 51 13.985 5.677 -6.970 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.155 2.794 -6.376 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.824 4.179 -5.355 1.00 0.00 H new ATOM 762 N ALA A 52 16.227 3.350 -6.649 1.00 0.00 N ATOM 763 CA ALA A 52 17.485 3.011 -5.999 1.00 0.00 C ATOM 764 C ALA A 52 18.317 2.099 -6.906 1.00 0.00 C ATOM 765 O ALA A 52 17.819 1.611 -7.920 1.00 0.00 O ATOM 766 CB ALA A 52 17.207 2.298 -4.672 1.00 0.00 C ATOM 0 H ALA A 52 16.034 2.799 -7.485 1.00 0.00 H new ATOM 0 HA ALA A 52 18.042 3.928 -5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 52 18.151 2.046 -4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.630 2.954 -4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.642 1.385 -4.861 1.00 0.00 H new ATOM 772 N ALA A 53 19.579 1.867 -6.544 1.00 0.00 N ATOM 773 CA ALA A 53 20.445 0.974 -7.301 1.00 0.00 C ATOM 774 C ALA A 53 21.430 0.256 -6.378 1.00 0.00 C ATOM 775 O ALA A 53 21.599 0.640 -5.224 1.00 0.00 O ATOM 776 CB ALA A 53 21.183 1.774 -8.377 1.00 0.00 C ATOM 0 H ALA A 53 20.022 2.289 -5.728 1.00 0.00 H new ATOM 0 HA ALA A 53 19.835 0.210 -7.783 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.832 1.107 -8.945 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.459 2.235 -9.049 1.00 0.00 H new ATOM 0 HB3 ALA A 53 21.785 2.550 -7.905 1.00 0.00 H new ATOM 782 N ILE A 54 22.079 -0.789 -6.895 1.00 0.00 N ATOM 783 CA ILE A 54 23.048 -1.580 -6.140 1.00 0.00 C ATOM 784 C ILE A 54 24.336 -1.717 -6.954 1.00 0.00 C ATOM 785 O ILE A 54 24.278 -1.833 -8.177 1.00 0.00 O ATOM 786 CB ILE A 54 22.452 -2.947 -5.772 1.00 0.00 C ATOM 787 CG1 ILE A 54 21.053 -2.760 -5.160 1.00 0.00 C ATOM 788 CG2 ILE A 54 23.382 -3.666 -4.792 1.00 0.00 C ATOM 789 CD1 ILE A 54 20.436 -4.093 -4.731 1.00 0.00 C ATOM 0 H ILE A 54 21.945 -1.110 -7.854 1.00 0.00 H new ATOM 0 HA ILE A 54 23.290 -1.074 -5.205 1.00 0.00 H new ATOM 0 HB ILE A 54 22.355 -3.556 -6.670 1.00 0.00 H new ATOM 0 HG12 ILE A 54 21.119 -2.096 -4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.401 -2.275 -5.886 1.00 0.00 H new ATOM 0 HG21 ILE A 54 22.957 -4.636 -4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 54 24.358 -3.810 -5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 54 23.494 -3.065 -3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.449 -3.916 -4.304 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.345 -4.747 -5.598 1.00 0.00 H new ATOM 0 HD13 ILE A 54 21.074 -4.566 -3.985 1.00 0.00 H new ATOM 801 N LEU A 55 25.497 -1.703 -6.288 1.00 0.00 N ATOM 802 CA LEU A 55 26.784 -1.646 -6.976 1.00 0.00 C ATOM 803 C LEU A 55 27.851 -2.487 -6.277 1.00 0.00 C ATOM 804 O LEU A 55 28.082 -2.329 -5.080 1.00 0.00 O ATOM 805 CB LEU A 55 27.235 -0.182 -7.042 1.00 0.00 C ATOM 806 CG LEU A 55 28.574 -0.026 -7.762 1.00 0.00 C ATOM 807 CD1 LEU A 55 28.460 -0.451 -9.227 1.00 0.00 C ATOM 808 CD2 LEU A 55 29.003 1.435 -7.694 1.00 0.00 C ATOM 0 H LEU A 55 25.567 -1.731 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 55 26.658 -2.059 -7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 55 26.476 0.408 -7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 55 27.318 0.217 -6.031 1.00 0.00 H new ATOM 0 HG LEU A 55 29.312 -0.664 -7.275 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.426 -0.330 -9.717 1.00 0.00 H new ATOM 0 HD12 LEU A 55 28.154 -1.496 -9.280 1.00 0.00 H new ATOM 0 HD13 LEU A 55 27.718 0.170 -9.729 1.00 0.00 H new ATOM 0 HD21 LEU A 55 29.958 1.558 -8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 55 28.250 2.058 -8.177 1.00 0.00 H new ATOM 0 HD23 LEU A 55 29.108 1.735 -6.651 1.00 0.00 H new ATOM 820 N ASP A 56 28.506 -3.375 -7.027 1.00 0.00 N ATOM 821 CA ASP A 56 29.627 -4.158 -6.522 1.00 0.00 C ATOM 822 C ASP A 56 30.889 -3.287 -6.572 1.00 0.00 C ATOM 823 O ASP A 56 31.016 -2.429 -7.445 1.00 0.00 O ATOM 824 CB ASP A 56 29.783 -5.411 -7.391 1.00 0.00 C ATOM 825 CG ASP A 56 30.794 -6.410 -6.823 1.00 0.00 C ATOM 826 OD1 ASP A 56 31.321 -6.155 -5.719 1.00 0.00 O ATOM 827 OD2 ASP A 56 31.026 -7.430 -7.510 1.00 0.00 O ATOM 0 H ASP A 56 28.272 -3.569 -8.001 1.00 0.00 H new ATOM 0 HA ASP A 56 29.458 -4.471 -5.492 1.00 0.00 H new ATOM 0 HB2 ASP A 56 28.814 -5.900 -7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 56 30.096 -5.115 -8.392 1.00 0.00 H new ATOM 832 N VAL A 57 31.822 -3.507 -5.638 1.00 0.00 N ATOM 833 CA VAL A 57 33.041 -2.710 -5.532 1.00 0.00 C ATOM 834 C VAL A 57 33.877 -2.833 -6.806 1.00 0.00 C ATOM 835 O VAL A 57 34.636 -1.919 -7.134 1.00 0.00 O ATOM 836 CB VAL A 57 33.847 -3.189 -4.319 1.00 0.00 C ATOM 837 CG1 VAL A 57 35.188 -2.465 -4.221 1.00 0.00 C ATOM 838 CG2 VAL A 57 33.052 -2.923 -3.045 1.00 0.00 C ATOM 0 H VAL A 57 31.749 -4.244 -4.936 1.00 0.00 H new ATOM 0 HA VAL A 57 32.775 -1.661 -5.404 1.00 0.00 H new ATOM 0 HB VAL A 57 34.035 -4.256 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 57 35.735 -2.828 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 57 35.772 -2.656 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 57 35.016 -1.393 -4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 57 33.624 -3.263 -2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 57 32.858 -1.854 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 57 32.105 -3.461 -3.088 1.00 0.00 H new ATOM 848 N ASN A 58 33.739 -3.950 -7.525 1.00 0.00 N ATOM 849 CA ASN A 58 34.442 -4.164 -8.779 1.00 0.00 C ATOM 850 C ASN A 58 33.564 -4.912 -9.775 1.00 0.00 C ATOM 851 O ASN A 58 32.789 -5.788 -9.399 1.00 0.00 O ATOM 852 CB ASN A 58 35.771 -4.897 -8.545 1.00 0.00 C ATOM 853 CG ASN A 58 35.689 -5.919 -7.417 1.00 0.00 C ATOM 854 OD1 ASN A 58 34.842 -6.805 -7.432 1.00 0.00 O ATOM 855 ND2 ASN A 58 36.578 -5.798 -6.433 1.00 0.00 N ATOM 0 H ASN A 58 33.137 -4.726 -7.250 1.00 0.00 H new ATOM 0 HA ASN A 58 34.673 -3.189 -9.208 1.00 0.00 H new ATOM 0 HB2 ASN A 58 36.070 -5.400 -9.464 1.00 0.00 H new ATOM 0 HB3 ASN A 58 36.547 -4.168 -8.313 1.00 0.00 H new ATOM 0 HD21 ASN A 58 36.570 -6.457 -5.655 1.00 0.00 H new ATOM 0 HD22 ASN A 58 37.267 -5.046 -6.458 1.00 0.00 H new ATOM 862 N LEU A 59 33.698 -4.553 -11.052 1.00 0.00 N ATOM 863 CA LEU A 59 32.947 -5.154 -12.143 1.00 0.00 C ATOM 864 C LEU A 59 33.894 -6.027 -12.965 1.00 0.00 C ATOM 865 O LEU A 59 35.032 -6.263 -12.558 1.00 0.00 O ATOM 866 CB LEU A 59 32.330 -4.029 -12.987 1.00 0.00 C ATOM 867 CG LEU A 59 30.917 -3.664 -12.506 1.00 0.00 C ATOM 868 CD1 LEU A 59 30.859 -3.469 -10.993 1.00 0.00 C ATOM 869 CD2 LEU A 59 30.499 -2.359 -13.173 1.00 0.00 C ATOM 0 H LEU A 59 34.343 -3.824 -11.357 1.00 0.00 H new ATOM 0 HA LEU A 59 32.140 -5.785 -11.772 1.00 0.00 H new ATOM 0 HB2 LEU A 59 32.969 -3.147 -12.940 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.290 -4.338 -14.031 1.00 0.00 H new ATOM 0 HG LEU A 59 30.250 -4.484 -12.770 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.842 -3.212 -10.698 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.159 -4.391 -10.496 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.535 -2.664 -10.704 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.497 -2.086 -12.842 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.199 -1.570 -12.899 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.501 -2.487 -14.255 1.00 0.00 H new ATOM 881 N ARG A 60 33.430 -6.514 -14.123 1.00 0.00 N ATOM 882 CA ARG A 60 34.227 -7.391 -14.973 1.00 0.00 C ATOM 883 C ARG A 60 35.615 -6.803 -15.219 1.00 0.00 C ATOM 884 O ARG A 60 35.762 -5.600 -15.422 1.00 0.00 O ATOM 885 CB ARG A 60 33.486 -7.645 -16.285 1.00 0.00 C ATOM 886 CG ARG A 60 32.282 -8.550 -16.019 1.00 0.00 C ATOM 887 CD ARG A 60 31.397 -8.640 -17.257 1.00 0.00 C ATOM 888 NE ARG A 60 32.087 -9.301 -18.368 1.00 0.00 N ATOM 889 CZ ARG A 60 31.453 -9.930 -19.364 1.00 0.00 C ATOM 890 NH1 ARG A 60 30.123 -9.966 -19.406 1.00 0.00 N ATOM 891 NH2 ARG A 60 32.156 -10.524 -20.321 1.00 0.00 N ATOM 0 H ARG A 60 32.500 -6.311 -14.489 1.00 0.00 H new ATOM 0 HA ARG A 60 34.370 -8.345 -14.465 1.00 0.00 H new ATOM 0 HB2 ARG A 60 33.157 -6.701 -16.719 1.00 0.00 H new ATOM 0 HB3 ARG A 60 34.154 -8.112 -17.009 1.00 0.00 H new ATOM 0 HG2 ARG A 60 32.624 -9.546 -15.736 1.00 0.00 H new ATOM 0 HG3 ARG A 60 31.705 -8.160 -15.180 1.00 0.00 H new ATOM 0 HD2 ARG A 60 30.487 -9.189 -17.015 1.00 0.00 H new ATOM 0 HD3 ARG A 60 31.093 -7.638 -17.561 1.00 0.00 H new ATOM 0 HE ARG A 60 33.107 -9.280 -18.383 1.00 0.00 H new ATOM 0 HH11 ARG A 60 29.577 -9.511 -18.674 1.00 0.00 H new ATOM 0 HH12 ARG A 60 29.650 -10.448 -20.170 1.00 0.00 H new ATOM 0 HH21 ARG A 60 33.175 -10.500 -20.295 1.00 0.00 H new ATOM 0 HH22 ARG A 60 31.677 -11.005 -21.082 1.00 0.00 H new ATOM 905 N GLY A 61 36.629 -7.667 -15.195 1.00 0.00 N ATOM 906 CA GLY A 61 38.022 -7.259 -15.282 1.00 0.00 C ATOM 907 C GLY A 61 38.607 -6.979 -13.897 1.00 0.00 C ATOM 908 O GLY A 61 39.809 -6.754 -13.768 1.00 0.00 O ATOM 0 H GLY A 61 36.501 -8.676 -15.114 1.00 0.00 H new ATOM 0 HA2 GLY A 61 38.602 -8.041 -15.773 1.00 0.00 H new ATOM 0 HA3 GLY A 61 38.103 -6.365 -15.901 1.00 0.00 H new ATOM 912 N GLY A 62 37.765 -6.999 -12.861 1.00 0.00 N ATOM 913 CA GLY A 62 38.184 -6.821 -11.476 1.00 0.00 C ATOM 914 C GLY A 62 38.521 -5.366 -11.152 1.00 0.00 C ATOM 915 O GLY A 62 38.920 -5.064 -10.030 1.00 0.00 O ATOM 0 H GLY A 62 36.760 -7.141 -12.966 1.00 0.00 H new ATOM 0 HA2 GLY A 62 37.390 -7.164 -10.812 1.00 0.00 H new ATOM 0 HA3 GLY A 62 39.056 -7.445 -11.280 1.00 0.00 H new ATOM 919 N GLU A 63 38.371 -4.459 -12.122 1.00 0.00 N ATOM 920 CA GLU A 63 38.639 -3.045 -11.902 1.00 0.00 C ATOM 921 C GLU A 63 37.580 -2.453 -10.968 1.00 0.00 C ATOM 922 O GLU A 63 36.417 -2.850 -11.018 1.00 0.00 O ATOM 923 CB GLU A 63 38.676 -2.320 -13.252 1.00 0.00 C ATOM 924 CG GLU A 63 39.020 -0.838 -13.066 1.00 0.00 C ATOM 925 CD GLU A 63 39.169 -0.119 -14.411 1.00 0.00 C ATOM 926 OE1 GLU A 63 39.386 1.112 -14.376 1.00 0.00 O ATOM 927 OE2 GLU A 63 39.070 -0.802 -15.457 1.00 0.00 O ATOM 0 H GLU A 63 38.064 -4.685 -13.068 1.00 0.00 H new ATOM 0 HA GLU A 63 39.609 -2.918 -11.421 1.00 0.00 H new ATOM 0 HB2 GLU A 63 39.414 -2.790 -13.902 1.00 0.00 H new ATOM 0 HB3 GLU A 63 37.709 -2.414 -13.747 1.00 0.00 H new ATOM 0 HG2 GLU A 63 38.240 -0.354 -12.479 1.00 0.00 H new ATOM 0 HG3 GLU A 63 39.947 -0.748 -12.500 1.00 0.00 H new ATOM 934 N LYS A 64 37.984 -1.504 -10.113 1.00 0.00 N ATOM 935 CA LYS A 64 37.072 -0.873 -9.168 1.00 0.00 C ATOM 936 C LYS A 64 36.017 -0.077 -9.929 1.00 0.00 C ATOM 937 O LYS A 64 36.232 0.306 -11.081 1.00 0.00 O ATOM 938 CB LYS A 64 37.853 0.031 -8.211 1.00 0.00 C ATOM 939 CG LYS A 64 38.399 1.265 -8.936 1.00 0.00 C ATOM 940 CD LYS A 64 39.287 2.066 -7.988 1.00 0.00 C ATOM 941 CE LYS A 64 39.888 3.279 -8.702 1.00 0.00 C ATOM 942 NZ LYS A 64 38.840 4.209 -9.167 1.00 0.00 N ATOM 0 H LYS A 64 38.943 -1.160 -10.062 1.00 0.00 H new ATOM 0 HA LYS A 64 36.570 -1.640 -8.578 1.00 0.00 H new ATOM 0 HB2 LYS A 64 37.205 0.344 -7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 64 38.677 -0.529 -7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 64 38.969 0.961 -9.814 1.00 0.00 H new ATOM 0 HG3 LYS A 64 37.575 1.885 -9.290 1.00 0.00 H new ATOM 0 HD2 LYS A 64 38.704 2.396 -7.128 1.00 0.00 H new ATOM 0 HD3 LYS A 64 40.086 1.430 -7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 64 40.565 3.801 -8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 64 40.482 2.944 -9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 39.277 5.106 -9.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 38.336 3.789 -9.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 38.167 4.388 -8.394 1.00 0.00 H new ATOM 956 N SER A 65 34.873 0.175 -9.288 1.00 0.00 N ATOM 957 CA SER A 65 33.786 0.889 -9.936 1.00 0.00 C ATOM 958 C SER A 65 33.114 1.868 -8.980 1.00 0.00 C ATOM 959 O SER A 65 32.435 1.461 -8.041 1.00 0.00 O ATOM 960 CB SER A 65 32.767 -0.118 -10.470 1.00 0.00 C ATOM 961 OG SER A 65 33.367 -0.919 -11.467 1.00 0.00 O ATOM 0 H SER A 65 34.682 -0.106 -8.326 1.00 0.00 H new ATOM 0 HA SER A 65 34.196 1.469 -10.763 1.00 0.00 H new ATOM 0 HB2 SER A 65 32.401 -0.745 -9.657 1.00 0.00 H new ATOM 0 HB3 SER A 65 31.904 0.406 -10.881 1.00 0.00 H new ATOM 0 HG SER A 65 33.482 -1.831 -11.128 1.00 0.00 H new ATOM 967 N THR A 66 33.310 3.165 -9.237 1.00 0.00 N ATOM 968 CA THR A 66 32.579 4.235 -8.572 1.00 0.00 C ATOM 969 C THR A 66 32.026 5.338 -9.491 1.00 0.00 C ATOM 970 O THR A 66 31.555 6.348 -8.973 1.00 0.00 O ATOM 971 CB THR A 66 33.386 4.844 -7.419 1.00 0.00 C ATOM 972 OG1 THR A 66 34.213 5.880 -7.908 1.00 0.00 O ATOM 973 CG2 THR A 66 34.264 3.822 -6.708 1.00 0.00 C ATOM 0 H THR A 66 33.989 3.499 -9.921 1.00 0.00 H new ATOM 0 HA THR A 66 31.697 3.734 -8.173 1.00 0.00 H new ATOM 0 HB THR A 66 32.662 5.226 -6.699 1.00 0.00 H new ATOM 0 HG1 THR A 66 34.725 6.267 -7.167 1.00 0.00 H new ATOM 0 HG21 THR A 66 34.811 4.311 -5.902 1.00 0.00 H new ATOM 0 HG22 THR A 66 33.639 3.030 -6.295 1.00 0.00 H new ATOM 0 HG23 THR A 66 34.971 3.393 -7.418 1.00 0.00 H new ATOM 981 N PRO A 67 32.056 5.199 -10.831 1.00 0.00 N ATOM 982 CA PRO A 67 31.616 6.270 -11.708 1.00 0.00 C ATOM 983 C PRO A 67 30.105 6.451 -11.608 1.00 0.00 C ATOM 984 O PRO A 67 29.591 7.531 -11.888 1.00 0.00 O ATOM 985 CB PRO A 67 32.022 5.845 -13.118 1.00 0.00 C ATOM 986 CG PRO A 67 32.060 4.322 -13.042 1.00 0.00 C ATOM 987 CD PRO A 67 32.484 4.045 -11.605 1.00 0.00 C ATOM 0 HA PRO A 67 32.066 7.225 -11.438 1.00 0.00 H new ATOM 0 HB2 PRO A 67 31.305 6.191 -13.862 1.00 0.00 H new ATOM 0 HB3 PRO A 67 32.993 6.256 -13.396 1.00 0.00 H new ATOM 0 HG2 PRO A 67 31.086 3.885 -13.264 1.00 0.00 H new ATOM 0 HG3 PRO A 67 32.768 3.903 -13.757 1.00 0.00 H new ATOM 0 HD2 PRO A 67 32.022 3.131 -11.231 1.00 0.00 H new ATOM 0 HD3 PRO A 67 33.563 3.908 -11.536 1.00 0.00 H new ATOM 995 N VAL A 68 29.394 5.391 -11.206 1.00 0.00 N ATOM 996 CA VAL A 68 27.952 5.446 -11.040 1.00 0.00 C ATOM 997 C VAL A 68 27.550 5.868 -9.636 1.00 0.00 C ATOM 998 O VAL A 68 26.610 6.636 -9.478 1.00 0.00 O ATOM 999 CB VAL A 68 27.312 4.114 -11.444 1.00 0.00 C ATOM 1000 CG1 VAL A 68 27.941 3.591 -12.735 1.00 0.00 C ATOM 1001 CG2 VAL A 68 27.477 3.050 -10.363 1.00 0.00 C ATOM 0 H VAL A 68 29.805 4.483 -10.990 1.00 0.00 H new ATOM 0 HA VAL A 68 27.571 6.218 -11.709 1.00 0.00 H new ATOM 0 HB VAL A 68 26.249 4.307 -11.589 1.00 0.00 H new ATOM 0 HG11 VAL A 68 27.476 2.644 -13.009 1.00 0.00 H new ATOM 0 HG12 VAL A 68 27.787 4.316 -13.534 1.00 0.00 H new ATOM 0 HG13 VAL A 68 29.010 3.440 -12.584 1.00 0.00 H new ATOM 0 HG21 VAL A 68 27.009 2.122 -10.691 1.00 0.00 H new ATOM 0 HG22 VAL A 68 28.538 2.877 -10.182 1.00 0.00 H new ATOM 0 HG23 VAL A 68 27.003 3.390 -9.442 1.00 0.00 H new ATOM 1011 N ALA A 69 28.250 5.386 -8.606 1.00 0.00 N ATOM 1012 CA ALA A 69 27.890 5.697 -7.234 1.00 0.00 C ATOM 1013 C ALA A 69 28.027 7.194 -6.977 1.00 0.00 C ATOM 1014 O ALA A 69 27.342 7.743 -6.112 1.00 0.00 O ATOM 1015 CB ALA A 69 28.794 4.903 -6.303 1.00 0.00 C ATOM 0 H ALA A 69 29.066 4.781 -8.703 1.00 0.00 H new ATOM 0 HA ALA A 69 26.851 5.423 -7.051 1.00 0.00 H new ATOM 0 HB1 ALA A 69 28.536 5.126 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 69 28.661 3.837 -6.489 1.00 0.00 H new ATOM 0 HB3 ALA A 69 29.833 5.176 -6.485 1.00 0.00 H new ATOM 1021 N GLU A 70 28.910 7.853 -7.730 1.00 0.00 N ATOM 1022 CA GLU A 70 29.070 9.297 -7.660 1.00 0.00 C ATOM 1023 C GLU A 70 27.901 9.988 -8.362 1.00 0.00 C ATOM 1024 O GLU A 70 27.545 11.109 -8.007 1.00 0.00 O ATOM 1025 CB GLU A 70 30.401 9.683 -8.309 1.00 0.00 C ATOM 1026 CG GLU A 70 31.577 9.201 -7.448 1.00 0.00 C ATOM 1027 CD GLU A 70 31.758 10.033 -6.178 1.00 0.00 C ATOM 1028 OE1 GLU A 70 32.638 9.655 -5.372 1.00 0.00 O ATOM 1029 OE2 GLU A 70 31.023 11.036 -6.019 1.00 0.00 O ATOM 0 H GLU A 70 29.529 7.398 -8.401 1.00 0.00 H new ATOM 0 HA GLU A 70 29.076 9.619 -6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 70 30.468 9.245 -9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 70 30.452 10.765 -8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 70 31.418 8.158 -7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 70 32.493 9.240 -8.037 1.00 0.00 H new ATOM 1036 N ALA A 71 27.303 9.317 -9.353 1.00 0.00 N ATOM 1037 CA ALA A 71 26.126 9.838 -10.033 1.00 0.00 C ATOM 1038 C ALA A 71 24.876 9.602 -9.188 1.00 0.00 C ATOM 1039 O ALA A 71 24.018 10.477 -9.119 1.00 0.00 O ATOM 1040 CB ALA A 71 25.970 9.169 -11.400 1.00 0.00 C ATOM 0 H ALA A 71 27.620 8.411 -9.698 1.00 0.00 H new ATOM 0 HA ALA A 71 26.252 10.911 -10.176 1.00 0.00 H new ATOM 0 HB1 ALA A 71 25.087 9.566 -11.901 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.853 9.371 -12.007 1.00 0.00 H new ATOM 0 HB3 ALA A 71 25.860 8.093 -11.268 1.00 0.00 H new ATOM 1046 N LEU A 72 24.759 8.435 -8.544 1.00 0.00 N ATOM 1047 CA LEU A 72 23.593 8.150 -7.723 1.00 0.00 C ATOM 1048 C LEU A 72 23.522 9.174 -6.591 1.00 0.00 C ATOM 1049 O LEU A 72 22.438 9.641 -6.245 1.00 0.00 O ATOM 1050 CB LEU A 72 23.684 6.725 -7.152 1.00 0.00 C ATOM 1051 CG LEU A 72 23.130 5.624 -8.078 1.00 0.00 C ATOM 1052 CD1 LEU A 72 21.634 5.798 -8.311 1.00 0.00 C ATOM 1053 CD2 LEU A 72 23.840 5.557 -9.424 1.00 0.00 C ATOM 0 H LEU A 72 25.451 7.686 -8.579 1.00 0.00 H new ATOM 0 HA LEU A 72 22.690 8.217 -8.330 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.728 6.503 -6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 72 23.143 6.692 -6.206 1.00 0.00 H new ATOM 0 HG LEU A 72 23.317 4.685 -7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 72 21.274 5.006 -8.968 1.00 0.00 H new ATOM 0 HD12 LEU A 72 21.109 5.746 -7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 72 21.448 6.767 -8.775 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.402 4.762 -10.027 1.00 0.00 H new ATOM 0 HD22 LEU A 72 23.728 6.509 -9.942 1.00 0.00 H new ATOM 0 HD23 LEU A 72 24.899 5.352 -9.267 1.00 0.00 H new ATOM 1065 N ALA A 73 24.675 9.529 -6.012 1.00 0.00 N ATOM 1066 CA ALA A 73 24.725 10.482 -4.912 1.00 0.00 C ATOM 1067 C ALA A 73 24.441 11.905 -5.398 1.00 0.00 C ATOM 1068 O ALA A 73 23.869 12.706 -4.661 1.00 0.00 O ATOM 1069 CB ALA A 73 26.107 10.409 -4.267 1.00 0.00 C ATOM 0 H ALA A 73 25.586 9.166 -6.293 1.00 0.00 H new ATOM 0 HA ALA A 73 23.956 10.227 -4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 73 26.161 11.118 -3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 73 26.281 9.400 -3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 73 26.868 10.657 -5.007 1.00 0.00 H new ATOM 1075 N ALA A 74 24.832 12.229 -6.634 1.00 0.00 N ATOM 1076 CA ALA A 74 24.614 13.557 -7.192 1.00 0.00 C ATOM 1077 C ALA A 74 23.184 13.711 -7.707 1.00 0.00 C ATOM 1078 O ALA A 74 22.670 14.827 -7.779 1.00 0.00 O ATOM 1079 CB ALA A 74 25.618 13.793 -8.319 1.00 0.00 C ATOM 0 H ALA A 74 25.303 11.582 -7.266 1.00 0.00 H new ATOM 0 HA ALA A 74 24.760 14.300 -6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 74 25.462 14.785 -8.743 1.00 0.00 H new ATOM 0 HB2 ALA A 74 26.631 13.722 -7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 74 25.477 13.041 -9.095 1.00 0.00 H new ATOM 1085 N ARG A 75 22.541 12.592 -8.063 1.00 0.00 N ATOM 1086 CA ARG A 75 21.171 12.587 -8.563 1.00 0.00 C ATOM 1087 C ARG A 75 20.172 12.424 -7.415 1.00 0.00 C ATOM 1088 O ARG A 75 18.974 12.294 -7.647 1.00 0.00 O ATOM 1089 CB ARG A 75 21.018 11.482 -9.615 1.00 0.00 C ATOM 1090 CG ARG A 75 21.935 11.762 -10.811 1.00 0.00 C ATOM 1091 CD ARG A 75 22.148 10.494 -11.640 1.00 0.00 C ATOM 1092 NE ARG A 75 20.924 10.105 -12.347 1.00 0.00 N ATOM 1093 CZ ARG A 75 20.673 10.405 -13.625 1.00 0.00 C ATOM 1094 NH1 ARG A 75 21.566 11.064 -14.359 1.00 0.00 N ATOM 1095 NH2 ARG A 75 19.519 10.041 -14.176 1.00 0.00 N ATOM 0 H ARG A 75 22.962 11.665 -8.010 1.00 0.00 H new ATOM 0 HA ARG A 75 20.954 13.545 -9.036 1.00 0.00 H new ATOM 0 HB2 ARG A 75 21.265 10.515 -9.176 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.981 11.426 -9.947 1.00 0.00 H new ATOM 0 HG2 ARG A 75 21.498 12.541 -11.436 1.00 0.00 H new ATOM 0 HG3 ARG A 75 22.896 12.137 -10.459 1.00 0.00 H new ATOM 0 HD2 ARG A 75 22.949 10.659 -12.360 1.00 0.00 H new ATOM 0 HD3 ARG A 75 22.468 9.681 -10.988 1.00 0.00 H new ATOM 0 HE ARG A 75 20.222 9.573 -11.833 1.00 0.00 H new ATOM 0 HH11 ARG A 75 22.455 11.347 -13.947 1.00 0.00 H new ATOM 0 HH12 ARG A 75 21.361 11.286 -15.333 1.00 0.00 H new ATOM 0 HH21 ARG A 75 18.828 9.534 -13.624 1.00 0.00 H new ATOM 0 HH22 ARG A 75 19.325 10.269 -15.151 1.00 0.00 H new ATOM 1109 N ASP A 76 20.680 12.426 -6.176 1.00 0.00 N ATOM 1110 CA ASP A 76 19.890 12.259 -4.962 1.00 0.00 C ATOM 1111 C ASP A 76 19.131 10.921 -4.961 1.00 0.00 C ATOM 1112 O ASP A 76 18.106 10.779 -4.300 1.00 0.00 O ATOM 1113 CB ASP A 76 18.975 13.475 -4.761 1.00 0.00 C ATOM 1114 CG ASP A 76 18.207 13.427 -3.439 1.00 0.00 C ATOM 1115 OD1 ASP A 76 17.092 13.998 -3.406 1.00 0.00 O ATOM 1116 OD2 ASP A 76 18.736 12.824 -2.477 1.00 0.00 O ATOM 0 H ASP A 76 21.676 12.547 -5.992 1.00 0.00 H new ATOM 0 HA ASP A 76 20.560 12.214 -4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.575 14.385 -4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.265 13.530 -5.586 1.00 0.00 H new ATOM 1121 N ILE A 77 19.640 9.936 -5.712 1.00 0.00 N ATOM 1122 CA ILE A 77 19.065 8.597 -5.741 1.00 0.00 C ATOM 1123 C ILE A 77 19.803 7.710 -4.730 1.00 0.00 C ATOM 1124 O ILE A 77 21.032 7.719 -4.704 1.00 0.00 O ATOM 1125 CB ILE A 77 19.181 8.013 -7.156 1.00 0.00 C ATOM 1126 CG1 ILE A 77 18.745 9.045 -8.202 1.00 0.00 C ATOM 1127 CG2 ILE A 77 18.340 6.733 -7.246 1.00 0.00 C ATOM 1128 CD1 ILE A 77 18.771 8.458 -9.614 1.00 0.00 C ATOM 0 H ILE A 77 20.457 10.050 -6.311 1.00 0.00 H new ATOM 0 HA ILE A 77 18.010 8.641 -5.472 1.00 0.00 H new ATOM 0 HB ILE A 77 20.221 7.762 -7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.739 9.396 -7.971 1.00 0.00 H new ATOM 0 HG13 ILE A 77 19.404 9.912 -8.155 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.420 6.315 -8.250 1.00 0.00 H new ATOM 0 HG22 ILE A 77 18.705 6.006 -6.520 1.00 0.00 H new ATOM 0 HG23 ILE A 77 17.297 6.967 -7.032 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.456 9.217 -10.330 1.00 0.00 H new ATOM 0 HD12 ILE A 77 19.783 8.131 -9.854 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.093 7.606 -9.667 1.00 0.00 H new ATOM 1140 N PRO A 78 19.084 6.944 -3.901 1.00 0.00 N ATOM 1141 CA PRO A 78 19.672 6.010 -2.952 1.00 0.00 C ATOM 1142 C PRO A 78 20.493 4.926 -3.648 1.00 0.00 C ATOM 1143 O PRO A 78 20.242 4.590 -4.806 1.00 0.00 O ATOM 1144 CB PRO A 78 18.495 5.390 -2.192 1.00 0.00 C ATOM 1145 CG PRO A 78 17.316 6.324 -2.455 1.00 0.00 C ATOM 1146 CD PRO A 78 17.642 6.959 -3.802 1.00 0.00 C ATOM 0 HA PRO A 78 20.364 6.525 -2.285 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.285 4.381 -2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.709 5.316 -1.126 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.374 5.777 -2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.220 7.076 -1.672 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.187 6.399 -4.619 1.00 0.00 H new ATOM 0 HD3 PRO A 78 17.256 7.977 -3.859 1.00 0.00 H new ATOM 1154 N PHE A 79 21.478 4.372 -2.935 1.00 0.00 N ATOM 1155 CA PHE A 79 22.342 3.328 -3.475 1.00 0.00 C ATOM 1156 C PHE A 79 22.861 2.377 -2.397 1.00 0.00 C ATOM 1157 O PHE A 79 23.091 2.791 -1.262 1.00 0.00 O ATOM 1158 CB PHE A 79 23.494 3.947 -4.274 1.00 0.00 C ATOM 1159 CG PHE A 79 24.280 5.007 -3.530 1.00 0.00 C ATOM 1160 CD1 PHE A 79 23.772 6.308 -3.407 1.00 0.00 C ATOM 1161 CD2 PHE A 79 25.524 4.687 -2.967 1.00 0.00 C ATOM 1162 CE1 PHE A 79 24.504 7.289 -2.727 1.00 0.00 C ATOM 1163 CE2 PHE A 79 26.260 5.671 -2.293 1.00 0.00 C ATOM 1164 CZ PHE A 79 25.749 6.971 -2.170 1.00 0.00 C ATOM 0 H PHE A 79 21.695 4.635 -1.974 1.00 0.00 H new ATOM 0 HA PHE A 79 21.735 2.723 -4.149 1.00 0.00 H new ATOM 0 HB2 PHE A 79 24.177 3.153 -4.577 1.00 0.00 H new ATOM 0 HB3 PHE A 79 23.091 4.386 -5.187 1.00 0.00 H new ATOM 0 HD1 PHE A 79 22.813 6.554 -3.838 1.00 0.00 H new ATOM 0 HD2 PHE A 79 25.914 3.684 -3.053 1.00 0.00 H new ATOM 0 HE1 PHE A 79 24.109 8.290 -2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 79 27.222 5.428 -1.868 1.00 0.00 H new ATOM 0 HZ PHE A 79 26.315 7.727 -1.646 1.00 0.00 H new ATOM 1174 N VAL A 80 23.047 1.102 -2.754 1.00 0.00 N ATOM 1175 CA VAL A 80 23.653 0.108 -1.871 1.00 0.00 C ATOM 1176 C VAL A 80 24.932 -0.417 -2.507 1.00 0.00 C ATOM 1177 O VAL A 80 25.020 -0.515 -3.729 1.00 0.00 O ATOM 1178 CB VAL A 80 22.687 -1.058 -1.613 1.00 0.00 C ATOM 1179 CG1 VAL A 80 23.306 -2.074 -0.658 1.00 0.00 C ATOM 1180 CG2 VAL A 80 21.388 -0.608 -0.969 1.00 0.00 C ATOM 0 H VAL A 80 22.780 0.732 -3.666 1.00 0.00 H new ATOM 0 HA VAL A 80 23.880 0.582 -0.916 1.00 0.00 H new ATOM 0 HB VAL A 80 22.488 -1.491 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 80 22.604 -2.891 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 80 24.225 -2.469 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.533 -1.590 0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.743 -1.472 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.602 -0.133 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.885 0.104 -1.623 1.00 0.00 H new ATOM 1190 N PHE A 81 25.923 -0.756 -1.683 1.00 0.00 N ATOM 1191 CA PHE A 81 27.106 -1.454 -2.156 1.00 0.00 C ATOM 1192 C PHE A 81 27.037 -2.966 -1.976 1.00 0.00 C ATOM 1193 O PHE A 81 26.296 -3.464 -1.129 1.00 0.00 O ATOM 1194 CB PHE A 81 28.388 -0.843 -1.589 1.00 0.00 C ATOM 1195 CG PHE A 81 28.843 0.389 -2.332 1.00 0.00 C ATOM 1196 CD1 PHE A 81 29.638 0.259 -3.480 1.00 0.00 C ATOM 1197 CD2 PHE A 81 28.470 1.661 -1.877 1.00 0.00 C ATOM 1198 CE1 PHE A 81 30.085 1.402 -4.155 1.00 0.00 C ATOM 1199 CE2 PHE A 81 28.907 2.804 -2.563 1.00 0.00 C ATOM 1200 CZ PHE A 81 29.720 2.677 -3.695 1.00 0.00 C ATOM 0 H PHE A 81 25.925 -0.555 -0.683 1.00 0.00 H new ATOM 0 HA PHE A 81 27.134 -1.306 -3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 81 28.228 -0.588 -0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 81 29.182 -1.590 -1.618 1.00 0.00 H new ATOM 0 HD1 PHE A 81 29.905 -0.722 -3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 81 27.847 1.761 -1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 81 30.711 1.302 -5.030 1.00 0.00 H new ATOM 0 HE2 PHE A 81 28.615 3.784 -2.217 1.00 0.00 H new ATOM 0 HZ PHE A 81 30.066 3.559 -4.214 1.00 0.00 H new ATOM 1210 N ALA A 82 27.809 -3.706 -2.769 1.00 0.00 N ATOM 1211 CA ALA A 82 27.843 -5.152 -2.680 1.00 0.00 C ATOM 1212 C ALA A 82 29.284 -5.628 -2.523 1.00 0.00 C ATOM 1213 O ALA A 82 30.185 -5.139 -3.202 1.00 0.00 O ATOM 1214 CB ALA A 82 27.168 -5.762 -3.910 1.00 0.00 C ATOM 0 H ALA A 82 28.423 -3.317 -3.485 1.00 0.00 H new ATOM 0 HA ALA A 82 27.290 -5.483 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 82 27.196 -6.849 -3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 82 26.132 -5.428 -3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 82 27.695 -5.444 -4.810 1.00 0.00 H new ATOM 1220 N THR A 83 29.481 -6.584 -1.616 1.00 0.00 N ATOM 1221 CA THR A 83 30.776 -7.156 -1.287 1.00 0.00 C ATOM 1222 C THR A 83 30.643 -8.634 -0.935 1.00 0.00 C ATOM 1223 O THR A 83 29.541 -9.182 -0.934 1.00 0.00 O ATOM 1224 CB THR A 83 31.478 -6.366 -0.171 1.00 0.00 C ATOM 1225 OG1 THR A 83 30.967 -6.753 1.082 1.00 0.00 O ATOM 1226 CG2 THR A 83 31.302 -4.855 -0.314 1.00 0.00 C ATOM 0 H THR A 83 28.717 -6.991 -1.076 1.00 0.00 H new ATOM 0 HA THR A 83 31.408 -7.081 -2.172 1.00 0.00 H new ATOM 0 HB THR A 83 32.541 -6.593 -0.251 1.00 0.00 H new ATOM 0 HG1 THR A 83 31.419 -6.248 1.790 1.00 0.00 H new ATOM 0 HG21 THR A 83 31.819 -4.350 0.502 1.00 0.00 H new ATOM 0 HG22 THR A 83 31.720 -4.528 -1.266 1.00 0.00 H new ATOM 0 HG23 THR A 83 30.241 -4.607 -0.280 1.00 0.00 H new ATOM 1234 N GLY A 84 31.766 -9.290 -0.640 1.00 0.00 N ATOM 1235 CA GLY A 84 31.761 -10.685 -0.228 1.00 0.00 C ATOM 1236 C GLY A 84 32.775 -10.908 0.890 1.00 0.00 C ATOM 1237 O GLY A 84 33.195 -9.961 1.552 1.00 0.00 O ATOM 0 H GLY A 84 32.694 -8.870 -0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 84 30.765 -10.967 0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 84 32.000 -11.324 -1.078 1.00 0.00 H new ATOM 1241 N GLY A 85 33.167 -12.168 1.103 1.00 0.00 N ATOM 1242 CA GLY A 85 34.098 -12.529 2.170 1.00 0.00 C ATOM 1243 C GLY A 85 35.521 -12.045 1.890 1.00 0.00 C ATOM 1244 O GLY A 85 36.379 -12.123 2.770 1.00 0.00 O ATOM 0 H GLY A 85 32.849 -12.959 0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 85 33.751 -12.103 3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 85 34.103 -13.612 2.293 1.00 0.00 H new ATOM 1248 N SER A 86 35.777 -11.550 0.673 1.00 0.00 N ATOM 1249 CA SER A 86 37.098 -11.060 0.289 1.00 0.00 C ATOM 1250 C SER A 86 37.005 -9.848 -0.639 1.00 0.00 C ATOM 1251 O SER A 86 38.032 -9.306 -1.045 1.00 0.00 O ATOM 1252 CB SER A 86 37.887 -12.186 -0.386 1.00 0.00 C ATOM 1253 OG SER A 86 38.162 -13.216 0.542 1.00 0.00 O ATOM 0 H SER A 86 35.077 -11.480 -0.066 1.00 0.00 H new ATOM 0 HA SER A 86 37.617 -10.740 1.193 1.00 0.00 H new ATOM 0 HB2 SER A 86 37.318 -12.586 -1.225 1.00 0.00 H new ATOM 0 HB3 SER A 86 38.820 -11.794 -0.791 1.00 0.00 H new ATOM 0 HG SER A 86 38.665 -13.930 0.098 1.00 0.00 H new ATOM 1259 N ASP A 87 35.785 -9.420 -0.974 1.00 0.00 N ATOM 1260 CA ASP A 87 35.566 -8.290 -1.873 1.00 0.00 C ATOM 1261 C ASP A 87 35.181 -7.013 -1.123 1.00 0.00 C ATOM 1262 O ASP A 87 34.706 -6.053 -1.729 1.00 0.00 O ATOM 1263 CB ASP A 87 34.535 -8.657 -2.947 1.00 0.00 C ATOM 1264 CG ASP A 87 35.045 -9.739 -3.903 1.00 0.00 C ATOM 1265 OD1 ASP A 87 34.221 -10.201 -4.722 1.00 0.00 O ATOM 1266 OD2 ASP A 87 36.241 -10.093 -3.808 1.00 0.00 O ATOM 0 H ASP A 87 34.925 -9.847 -0.629 1.00 0.00 H new ATOM 0 HA ASP A 87 36.512 -8.072 -2.368 1.00 0.00 H new ATOM 0 HB2 ASP A 87 33.621 -9.004 -2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 87 34.276 -7.765 -3.518 1.00 0.00 H new ATOM 1271 N ASP A 88 35.388 -7.007 0.195 1.00 0.00 N ATOM 1272 CA ASP A 88 35.049 -5.881 1.055 1.00 0.00 C ATOM 1273 C ASP A 88 36.025 -4.710 0.931 1.00 0.00 C ATOM 1274 O ASP A 88 36.162 -3.909 1.857 1.00 0.00 O ATOM 1275 CB ASP A 88 34.881 -6.336 2.510 1.00 0.00 C ATOM 1276 CG ASP A 88 36.053 -7.177 3.024 1.00 0.00 C ATOM 1277 OD1 ASP A 88 35.902 -7.741 4.132 1.00 0.00 O ATOM 1278 OD2 ASP A 88 37.084 -7.252 2.318 1.00 0.00 O ATOM 0 H ASP A 88 35.800 -7.794 0.697 1.00 0.00 H new ATOM 0 HA ASP A 88 34.090 -5.498 0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 88 34.767 -5.458 3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 88 33.962 -6.915 2.598 1.00 0.00 H new ATOM 1283 N SER A 89 36.708 -4.606 -0.213 1.00 0.00 N ATOM 1284 CA SER A 89 37.672 -3.543 -0.477 1.00 0.00 C ATOM 1285 C SER A 89 36.984 -2.208 -0.783 1.00 0.00 C ATOM 1286 O SER A 89 37.568 -1.347 -1.436 1.00 0.00 O ATOM 1287 CB SER A 89 38.587 -3.956 -1.629 1.00 0.00 C ATOM 1288 OG SER A 89 39.314 -5.114 -1.267 1.00 0.00 O ATOM 0 H SER A 89 36.604 -5.264 -0.985 1.00 0.00 H new ATOM 0 HA SER A 89 38.267 -3.394 0.424 1.00 0.00 H new ATOM 0 HB2 SER A 89 37.996 -4.151 -2.524 1.00 0.00 H new ATOM 0 HB3 SER A 89 39.273 -3.144 -1.870 1.00 0.00 H new ATOM 0 HG SER A 89 39.899 -5.378 -2.008 1.00 0.00 H new ATOM 1294 N VAL A 90 35.746 -2.038 -0.313 1.00 0.00 N ATOM 1295 CA VAL A 90 34.980 -0.818 -0.541 1.00 0.00 C ATOM 1296 C VAL A 90 35.671 0.366 0.139 1.00 0.00 C ATOM 1297 O VAL A 90 36.269 0.221 1.204 1.00 0.00 O ATOM 1298 CB VAL A 90 33.538 -1.009 -0.043 1.00 0.00 C ATOM 1299 CG1 VAL A 90 33.497 -1.342 1.448 1.00 0.00 C ATOM 1300 CG2 VAL A 90 32.715 0.255 -0.292 1.00 0.00 C ATOM 0 H VAL A 90 35.251 -2.742 0.234 1.00 0.00 H new ATOM 0 HA VAL A 90 34.935 -0.602 -1.608 1.00 0.00 H new ATOM 0 HB VAL A 90 33.113 -1.844 -0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 90 32.462 -1.470 1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 90 34.049 -2.264 1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 90 33.952 -0.530 2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 90 31.697 0.103 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 90 33.165 1.093 0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 90 32.695 0.472 -1.360 1.00 0.00 H new ATOM 1310 N ASP A 91 35.587 1.540 -0.490 1.00 0.00 N ATOM 1311 CA ASP A 91 36.251 2.746 -0.013 1.00 0.00 C ATOM 1312 C ASP A 91 35.517 3.252 1.229 1.00 0.00 C ATOM 1313 O ASP A 91 34.297 3.122 1.327 1.00 0.00 O ATOM 1314 CB ASP A 91 36.214 3.800 -1.121 1.00 0.00 C ATOM 1315 CG ASP A 91 37.131 4.990 -0.819 1.00 0.00 C ATOM 1316 OD1 ASP A 91 37.882 4.912 0.179 1.00 0.00 O ATOM 1317 OD2 ASP A 91 37.064 5.969 -1.593 1.00 0.00 O ATOM 0 H ASP A 91 35.053 1.677 -1.348 1.00 0.00 H new ATOM 0 HA ASP A 91 37.289 2.538 0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 91 36.513 3.343 -2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 91 35.191 4.155 -1.249 1.00 0.00 H new ATOM 1322 N SER A 92 36.252 3.835 2.180 1.00 0.00 N ATOM 1323 CA SER A 92 35.666 4.354 3.407 1.00 0.00 C ATOM 1324 C SER A 92 34.741 5.532 3.107 1.00 0.00 C ATOM 1325 O SER A 92 33.946 5.932 3.958 1.00 0.00 O ATOM 1326 CB SER A 92 36.785 4.754 4.368 1.00 0.00 C ATOM 1327 OG SER A 92 36.240 5.328 5.538 1.00 0.00 O ATOM 0 H SER A 92 37.263 3.957 2.117 1.00 0.00 H new ATOM 0 HA SER A 92 35.060 3.580 3.877 1.00 0.00 H new ATOM 0 HB2 SER A 92 37.382 3.880 4.627 1.00 0.00 H new ATOM 0 HB3 SER A 92 37.454 5.465 3.883 1.00 0.00 H new ATOM 0 HG SER A 92 35.294 5.537 5.390 1.00 0.00 H new ATOM 1333 N ARG A 93 34.838 6.087 1.893 1.00 0.00 N ATOM 1334 CA ARG A 93 33.946 7.134 1.424 1.00 0.00 C ATOM 1335 C ARG A 93 32.512 6.601 1.315 1.00 0.00 C ATOM 1336 O ARG A 93 31.578 7.387 1.168 1.00 0.00 O ATOM 1337 CB ARG A 93 34.469 7.639 0.072 1.00 0.00 C ATOM 1338 CG ARG A 93 33.550 8.680 -0.576 1.00 0.00 C ATOM 1339 CD ARG A 93 33.330 9.873 0.360 1.00 0.00 C ATOM 1340 NE ARG A 93 32.513 10.904 -0.286 1.00 0.00 N ATOM 1341 CZ ARG A 93 31.178 10.864 -0.366 1.00 0.00 C ATOM 1342 NH1 ARG A 93 30.499 9.836 0.142 1.00 0.00 N ATOM 1343 NH2 ARG A 93 30.515 11.856 -0.953 1.00 0.00 N ATOM 0 H ARG A 93 35.545 5.815 1.210 1.00 0.00 H new ATOM 0 HA ARG A 93 33.924 7.964 2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 93 35.459 8.073 0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 93 34.584 6.793 -0.605 1.00 0.00 H new ATOM 0 HG2 ARG A 93 33.987 9.024 -1.513 1.00 0.00 H new ATOM 0 HG3 ARG A 93 32.591 8.223 -0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 93 32.841 9.537 1.275 1.00 0.00 H new ATOM 0 HD3 ARG A 93 34.292 10.295 0.649 1.00 0.00 H new ATOM 0 HE ARG A 93 32.993 11.703 -0.701 1.00 0.00 H new ATOM 0 HH11 ARG A 93 30.997 9.071 0.597 1.00 0.00 H new ATOM 0 HH12 ARG A 93 29.481 9.815 0.076 1.00 0.00 H new ATOM 0 HH21 ARG A 93 31.024 12.649 -1.343 1.00 0.00 H new ATOM 0 HH22 ARG A 93 29.497 11.824 -1.013 1.00 0.00 H new ATOM 1357 N PHE A 94 32.337 5.277 1.388 1.00 0.00 N ATOM 1358 CA PHE A 94 31.028 4.656 1.248 1.00 0.00 C ATOM 1359 C PHE A 94 30.786 3.610 2.339 1.00 0.00 C ATOM 1360 O PHE A 94 29.787 2.895 2.292 1.00 0.00 O ATOM 1361 CB PHE A 94 30.918 4.014 -0.134 1.00 0.00 C ATOM 1362 CG PHE A 94 31.181 4.978 -1.270 1.00 0.00 C ATOM 1363 CD1 PHE A 94 32.364 4.872 -2.017 1.00 0.00 C ATOM 1364 CD2 PHE A 94 30.243 5.975 -1.578 1.00 0.00 C ATOM 1365 CE1 PHE A 94 32.612 5.764 -3.072 1.00 0.00 C ATOM 1366 CE2 PHE A 94 30.489 6.863 -2.634 1.00 0.00 C ATOM 1367 CZ PHE A 94 31.671 6.758 -3.383 1.00 0.00 C ATOM 0 H PHE A 94 33.097 4.615 1.545 1.00 0.00 H new ATOM 0 HA PHE A 94 30.266 5.427 1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 94 31.625 3.187 -0.199 1.00 0.00 H new ATOM 0 HB3 PHE A 94 29.920 3.591 -0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 94 33.085 4.103 -1.780 1.00 0.00 H new ATOM 0 HD2 PHE A 94 29.333 6.058 -1.002 1.00 0.00 H new ATOM 0 HE1 PHE A 94 33.525 5.686 -3.643 1.00 0.00 H new ATOM 0 HE2 PHE A 94 29.767 7.630 -2.872 1.00 0.00 H new ATOM 0 HZ PHE A 94 31.857 7.442 -4.198 1.00 0.00 H new ATOM 1377 N ARG A 95 31.687 3.505 3.326 1.00 0.00 N ATOM 1378 CA ARG A 95 31.532 2.543 4.410 1.00 0.00 C ATOM 1379 C ARG A 95 30.442 2.964 5.393 1.00 0.00 C ATOM 1380 O ARG A 95 30.112 2.209 6.306 1.00 0.00 O ATOM 1381 CB ARG A 95 32.877 2.317 5.110 1.00 0.00 C ATOM 1382 CG ARG A 95 33.723 1.367 4.263 1.00 0.00 C ATOM 1383 CD ARG A 95 35.057 1.080 4.942 1.00 0.00 C ATOM 1384 NE ARG A 95 35.908 0.275 4.056 1.00 0.00 N ATOM 1385 CZ ARG A 95 36.592 -0.806 4.440 1.00 0.00 C ATOM 1386 NH1 ARG A 95 36.568 -1.223 5.704 1.00 0.00 N ATOM 1387 NH2 ARG A 95 37.307 -1.474 3.541 1.00 0.00 N ATOM 0 H ARG A 95 32.529 4.078 3.390 1.00 0.00 H new ATOM 0 HA ARG A 95 31.207 1.595 3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 95 33.396 3.266 5.244 1.00 0.00 H new ATOM 0 HB3 ARG A 95 32.719 1.897 6.103 1.00 0.00 H new ATOM 0 HG2 ARG A 95 33.182 0.434 4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 95 33.897 1.805 3.280 1.00 0.00 H new ATOM 0 HD2 ARG A 95 35.558 2.016 5.189 1.00 0.00 H new ATOM 0 HD3 ARG A 95 34.891 0.550 5.880 1.00 0.00 H new ATOM 0 HE ARG A 95 35.982 0.561 3.080 1.00 0.00 H new ATOM 0 HH11 ARG A 95 36.021 -0.715 6.398 1.00 0.00 H new ATOM 0 HH12 ARG A 95 37.097 -2.051 5.978 1.00 0.00 H new ATOM 0 HH21 ARG A 95 37.329 -1.160 2.571 1.00 0.00 H new ATOM 0 HH22 ARG A 95 37.834 -2.301 3.821 1.00 0.00 H new ATOM 1401 N ASP A 96 29.879 4.164 5.212 1.00 0.00 N ATOM 1402 CA ASP A 96 28.727 4.608 5.983 1.00 0.00 C ATOM 1403 C ASP A 96 27.411 4.280 5.270 1.00 0.00 C ATOM 1404 O ASP A 96 26.336 4.413 5.854 1.00 0.00 O ATOM 1405 CB ASP A 96 28.838 6.106 6.303 1.00 0.00 C ATOM 1406 CG ASP A 96 29.074 6.971 5.064 1.00 0.00 C ATOM 1407 OD1 ASP A 96 29.410 8.159 5.258 1.00 0.00 O ATOM 1408 OD2 ASP A 96 28.919 6.440 3.942 1.00 0.00 O ATOM 0 H ASP A 96 30.211 4.846 4.530 1.00 0.00 H new ATOM 0 HA ASP A 96 28.721 4.061 6.926 1.00 0.00 H new ATOM 0 HB2 ASP A 96 27.924 6.434 6.798 1.00 0.00 H new ATOM 0 HB3 ASP A 96 29.655 6.261 7.007 1.00 0.00 H new ATOM 1413 N ARG A 97 27.500 3.847 4.007 1.00 0.00 N ATOM 1414 CA ARG A 97 26.347 3.434 3.218 1.00 0.00 C ATOM 1415 C ARG A 97 25.958 2.006 3.613 1.00 0.00 C ATOM 1416 O ARG A 97 26.779 1.277 4.163 1.00 0.00 O ATOM 1417 CB ARG A 97 26.700 3.488 1.725 1.00 0.00 C ATOM 1418 CG ARG A 97 27.292 4.833 1.288 1.00 0.00 C ATOM 1419 CD ARG A 97 26.294 5.982 1.449 1.00 0.00 C ATOM 1420 NE ARG A 97 26.227 6.446 2.839 1.00 0.00 N ATOM 1421 CZ ARG A 97 25.103 6.825 3.452 1.00 0.00 C ATOM 1422 NH1 ARG A 97 23.938 6.801 2.811 1.00 0.00 N ATOM 1423 NH2 ARG A 97 25.144 7.232 4.717 1.00 0.00 N ATOM 0 H ARG A 97 28.385 3.775 3.505 1.00 0.00 H new ATOM 0 HA ARG A 97 25.509 4.104 3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 97 27.413 2.695 1.499 1.00 0.00 H new ATOM 0 HB3 ARG A 97 25.803 3.287 1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 97 28.185 5.044 1.877 1.00 0.00 H new ATOM 0 HG3 ARG A 97 27.605 4.769 0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 97 26.583 6.810 0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 97 25.306 5.655 1.126 1.00 0.00 H new ATOM 0 HE ARG A 97 27.096 6.481 3.372 1.00 0.00 H new ATOM 0 HH11 ARG A 97 23.896 6.491 1.840 1.00 0.00 H new ATOM 0 HH12 ARG A 97 23.086 7.093 3.290 1.00 0.00 H new ATOM 0 HH21 ARG A 97 26.033 7.254 5.217 1.00 0.00 H new ATOM 0 HH22 ARG A 97 24.287 7.522 5.187 1.00 0.00 H new ATOM 1437 N PRO A 98 24.712 1.595 3.331 1.00 0.00 N ATOM 1438 CA PRO A 98 24.291 0.219 3.499 1.00 0.00 C ATOM 1439 C PRO A 98 25.066 -0.650 2.517 1.00 0.00 C ATOM 1440 O PRO A 98 25.409 -0.197 1.425 1.00 0.00 O ATOM 1441 CB PRO A 98 22.795 0.199 3.198 1.00 0.00 C ATOM 1442 CG PRO A 98 22.575 1.431 2.318 1.00 0.00 C ATOM 1443 CD PRO A 98 23.642 2.414 2.798 1.00 0.00 C ATOM 0 HA PRO A 98 24.480 -0.164 4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 98 22.504 -0.716 2.682 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.204 0.251 4.112 1.00 0.00 H new ATOM 0 HG2 PRO A 98 22.695 1.195 1.261 1.00 0.00 H new ATOM 0 HG3 PRO A 98 21.571 1.838 2.442 1.00 0.00 H new ATOM 0 HD2 PRO A 98 23.997 3.039 1.978 1.00 0.00 H new ATOM 0 HD3 PRO A 98 23.244 3.084 3.560 1.00 0.00 H new ATOM 1451 N VAL A 99 25.346 -1.898 2.892 1.00 0.00 N ATOM 1452 CA VAL A 99 26.143 -2.771 2.051 1.00 0.00 C ATOM 1453 C VAL A 99 25.783 -4.230 2.301 1.00 0.00 C ATOM 1454 O VAL A 99 25.804 -4.709 3.430 1.00 0.00 O ATOM 1455 CB VAL A 99 27.634 -2.504 2.309 1.00 0.00 C ATOM 1456 CG1 VAL A 99 27.997 -2.651 3.791 1.00 0.00 C ATOM 1457 CG2 VAL A 99 28.503 -3.468 1.507 1.00 0.00 C ATOM 0 H VAL A 99 25.033 -2.319 3.767 1.00 0.00 H new ATOM 0 HA VAL A 99 25.931 -2.562 1.003 1.00 0.00 H new ATOM 0 HB VAL A 99 27.821 -1.476 1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 99 29.060 -2.453 3.926 1.00 0.00 H new ATOM 0 HG12 VAL A 99 27.418 -1.940 4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 99 27.771 -3.665 4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 99 29.555 -3.261 1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 99 28.274 -4.493 1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 99 28.302 -3.340 0.443 1.00 0.00 H new ATOM 1467 N LEU A 100 25.456 -4.926 1.212 1.00 0.00 N ATOM 1468 CA LEU A 100 25.296 -6.371 1.219 1.00 0.00 C ATOM 1469 C LEU A 100 26.684 -7.009 1.095 1.00 0.00 C ATOM 1470 O LEU A 100 27.500 -6.534 0.309 1.00 0.00 O ATOM 1471 CB LEU A 100 24.374 -6.776 0.068 1.00 0.00 C ATOM 1472 CG LEU A 100 23.007 -6.073 0.160 1.00 0.00 C ATOM 1473 CD1 LEU A 100 22.173 -6.434 -1.064 1.00 0.00 C ATOM 1474 CD2 LEU A 100 22.252 -6.516 1.415 1.00 0.00 C ATOM 0 H LEU A 100 25.295 -4.498 0.300 1.00 0.00 H new ATOM 0 HA LEU A 100 24.839 -6.717 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 100 24.847 -6.528 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 100 24.229 -7.856 0.080 1.00 0.00 H new ATOM 0 HG LEU A 100 23.174 -4.997 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 100 21.204 -5.938 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 100 22.691 -6.109 -1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 100 22.027 -7.514 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 100 21.289 -6.007 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 100 22.091 -7.594 1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 100 22.837 -6.264 2.300 1.00 0.00 H new ATOM 1486 N GLN A 101 26.964 -8.069 1.860 1.00 0.00 N ATOM 1487 CA GLN A 101 28.327 -8.597 1.969 1.00 0.00 C ATOM 1488 C GLN A 101 28.387 -10.128 2.007 1.00 0.00 C ATOM 1489 O GLN A 101 29.462 -10.712 2.135 1.00 0.00 O ATOM 1490 CB GLN A 101 28.969 -7.965 3.212 1.00 0.00 C ATOM 1491 CG GLN A 101 30.353 -8.538 3.535 1.00 0.00 C ATOM 1492 CD GLN A 101 31.151 -7.601 4.437 1.00 0.00 C ATOM 1493 OE1 GLN A 101 30.612 -6.657 5.002 1.00 0.00 O ATOM 1494 NE2 GLN A 101 32.449 -7.865 4.571 1.00 0.00 N ATOM 0 H GLN A 101 26.270 -8.575 2.410 1.00 0.00 H new ATOM 0 HA GLN A 101 28.885 -8.329 1.072 1.00 0.00 H new ATOM 0 HB2 GLN A 101 29.055 -6.889 3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 101 28.312 -8.115 4.069 1.00 0.00 H new ATOM 0 HG2 GLN A 101 30.242 -9.507 4.023 1.00 0.00 H new ATOM 0 HG3 GLN A 101 30.902 -8.708 2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 101 32.861 -8.661 4.084 1.00 0.00 H new ATOM 0 HE22 GLN A 101 33.032 -7.271 5.161 1.00 0.00 H new ATOM 1503 N LYS A 102 27.237 -10.789 1.898 1.00 0.00 N ATOM 1504 CA LYS A 102 27.127 -12.226 2.113 1.00 0.00 C ATOM 1505 C LYS A 102 25.824 -12.730 1.499 1.00 0.00 C ATOM 1506 O LYS A 102 24.959 -11.916 1.185 1.00 0.00 O ATOM 1507 CB LYS A 102 27.219 -12.516 3.625 1.00 0.00 C ATOM 1508 CG LYS A 102 26.257 -11.680 4.483 1.00 0.00 C ATOM 1509 CD LYS A 102 24.838 -12.252 4.477 1.00 0.00 C ATOM 1510 CE LYS A 102 23.961 -11.511 5.488 1.00 0.00 C ATOM 1511 NZ LYS A 102 24.454 -11.689 6.868 1.00 0.00 N ATOM 0 H LYS A 102 26.353 -10.340 1.657 1.00 0.00 H new ATOM 0 HA LYS A 102 27.943 -12.757 1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 102 27.015 -13.573 3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 102 28.240 -12.331 3.958 1.00 0.00 H new ATOM 0 HG2 LYS A 102 26.627 -11.640 5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 102 26.236 -10.656 4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 102 24.408 -12.164 3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 102 24.866 -13.314 4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 102 23.940 -10.449 5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 102 22.936 -11.875 5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 23.679 -11.513 7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 24.803 -12.661 6.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 25.228 -11.018 7.049 1.00 0.00 H new ATOM 1525 N PRO A 103 25.663 -14.046 1.318 1.00 0.00 N ATOM 1526 CA PRO A 103 24.404 -14.630 0.885 1.00 0.00 C ATOM 1527 C PRO A 103 23.304 -14.259 1.882 1.00 0.00 C ATOM 1528 O PRO A 103 23.130 -14.903 2.916 1.00 0.00 O ATOM 1529 CB PRO A 103 24.642 -16.138 0.806 1.00 0.00 C ATOM 1530 CG PRO A 103 25.903 -16.376 1.638 1.00 0.00 C ATOM 1531 CD PRO A 103 26.672 -15.062 1.530 1.00 0.00 C ATOM 0 HA PRO A 103 24.076 -14.260 -0.086 1.00 0.00 H new ATOM 0 HB2 PRO A 103 23.794 -16.694 1.205 1.00 0.00 H new ATOM 0 HB3 PRO A 103 24.780 -16.464 -0.225 1.00 0.00 H new ATOM 0 HG2 PRO A 103 25.659 -16.611 2.674 1.00 0.00 H new ATOM 0 HG3 PRO A 103 26.485 -17.212 1.250 1.00 0.00 H new ATOM 0 HD2 PRO A 103 27.244 -14.865 2.437 1.00 0.00 H new ATOM 0 HD3 PRO A 103 27.383 -15.089 0.704 1.00 0.00 H new ATOM 1539 N PHE A 104 22.565 -13.199 1.551 1.00 0.00 N ATOM 1540 CA PHE A 104 21.554 -12.607 2.409 1.00 0.00 C ATOM 1541 C PHE A 104 20.213 -13.327 2.430 1.00 0.00 C ATOM 1542 O PHE A 104 19.835 -13.987 1.461 1.00 0.00 O ATOM 1543 CB PHE A 104 21.406 -11.119 2.083 1.00 0.00 C ATOM 1544 CG PHE A 104 21.647 -10.813 0.624 1.00 0.00 C ATOM 1545 CD1 PHE A 104 20.690 -11.159 -0.340 1.00 0.00 C ATOM 1546 CD2 PHE A 104 22.845 -10.202 0.226 1.00 0.00 C ATOM 1547 CE1 PHE A 104 20.941 -10.916 -1.699 1.00 0.00 C ATOM 1548 CE2 PHE A 104 23.100 -9.971 -1.130 1.00 0.00 C ATOM 1549 CZ PHE A 104 22.150 -10.329 -2.095 1.00 0.00 C ATOM 0 H PHE A 104 22.660 -12.721 0.655 1.00 0.00 H new ATOM 0 HA PHE A 104 21.918 -12.725 3.430 1.00 0.00 H new ATOM 0 HB2 PHE A 104 20.404 -10.789 2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 104 22.108 -10.547 2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 104 19.758 -11.613 -0.036 1.00 0.00 H new ATOM 0 HD2 PHE A 104 23.573 -9.909 0.968 1.00 0.00 H new ATOM 0 HE1 PHE A 104 20.202 -11.182 -2.440 1.00 0.00 H new ATOM 0 HE2 PHE A 104 24.031 -9.516 -1.433 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.349 -10.153 -3.142 1.00 0.00 H new ATOM 1559 N THR A 105 19.494 -13.192 3.545 1.00 0.00 N ATOM 1560 CA THR A 105 18.141 -13.708 3.680 1.00 0.00 C ATOM 1561 C THR A 105 17.092 -12.707 3.216 1.00 0.00 C ATOM 1562 O THR A 105 17.426 -11.582 2.838 1.00 0.00 O ATOM 1563 CB THR A 105 17.872 -14.170 5.116 1.00 0.00 C ATOM 1564 OG1 THR A 105 17.485 -13.064 5.901 1.00 0.00 O ATOM 1565 CG2 THR A 105 19.107 -14.828 5.734 1.00 0.00 C ATOM 0 H THR A 105 19.839 -12.719 4.380 1.00 0.00 H new ATOM 0 HA THR A 105 18.061 -14.574 3.023 1.00 0.00 H new ATOM 0 HB THR A 105 17.072 -14.910 5.090 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.311 -13.359 6.819 1.00 0.00 H new ATOM 0 HG21 THR A 105 18.880 -15.143 6.752 1.00 0.00 H new ATOM 0 HG22 THR A 105 19.392 -15.696 5.140 1.00 0.00 H new ATOM 0 HG23 THR A 105 19.930 -14.114 5.750 1.00 0.00 H new ATOM 1573 N MET A 106 15.819 -13.110 3.247 1.00 0.00 N ATOM 1574 CA MET A 106 14.729 -12.230 2.859 1.00 0.00 C ATOM 1575 C MET A 106 14.675 -11.009 3.782 1.00 0.00 C ATOM 1576 O MET A 106 14.262 -9.929 3.361 1.00 0.00 O ATOM 1577 CB MET A 106 13.420 -13.025 2.917 1.00 0.00 C ATOM 1578 CG MET A 106 12.184 -12.191 2.559 1.00 0.00 C ATOM 1579 SD MET A 106 11.927 -11.891 0.787 1.00 0.00 S ATOM 1580 CE MET A 106 13.027 -10.476 0.523 1.00 0.00 C ATOM 0 H MET A 106 15.524 -14.042 3.538 1.00 0.00 H new ATOM 0 HA MET A 106 14.885 -11.864 1.844 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.488 -13.872 2.234 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.296 -13.433 3.920 1.00 0.00 H new ATOM 0 HG2 MET A 106 11.302 -12.693 2.956 1.00 0.00 H new ATOM 0 HG3 MET A 106 12.258 -11.229 3.065 1.00 0.00 H new ATOM 0 HE1 MET A 106 12.865 -10.070 -0.476 1.00 0.00 H new ATOM 0 HE2 MET A 106 12.815 -9.707 1.266 1.00 0.00 H new ATOM 0 HE3 MET A 106 14.064 -10.798 0.620 1.00 0.00 H new ATOM 1590 N ASP A 107 15.095 -11.181 5.038 1.00 0.00 N ATOM 1591 CA ASP A 107 15.128 -10.092 6.005 1.00 0.00 C ATOM 1592 C ASP A 107 16.392 -9.240 5.878 1.00 0.00 C ATOM 1593 O ASP A 107 16.403 -8.087 6.300 1.00 0.00 O ATOM 1594 CB ASP A 107 14.989 -10.651 7.423 1.00 0.00 C ATOM 1595 CG ASP A 107 13.613 -11.262 7.685 1.00 0.00 C ATOM 1596 OD1 ASP A 107 13.453 -11.844 8.779 1.00 0.00 O ATOM 1597 OD2 ASP A 107 12.735 -11.145 6.798 1.00 0.00 O ATOM 0 H ASP A 107 15.419 -12.075 5.407 1.00 0.00 H new ATOM 0 HA ASP A 107 14.285 -9.435 5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.755 -11.409 7.587 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.170 -9.853 8.143 1.00 0.00 H new ATOM 1602 N GLY A 108 17.457 -9.803 5.299 1.00 0.00 N ATOM 1603 CA GLY A 108 18.728 -9.102 5.179 1.00 0.00 C ATOM 1604 C GLY A 108 18.672 -8.038 4.086 1.00 0.00 C ATOM 1605 O GLY A 108 19.259 -6.967 4.240 1.00 0.00 O ATOM 0 H GLY A 108 17.459 -10.745 4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 108 18.980 -8.636 6.131 1.00 0.00 H new ATOM 0 HA3 GLY A 108 19.520 -9.816 4.954 1.00 0.00 H new ATOM 1609 N VAL A 109 17.967 -8.319 2.989 1.00 0.00 N ATOM 1610 CA VAL A 109 17.799 -7.345 1.918 1.00 0.00 C ATOM 1611 C VAL A 109 16.761 -6.307 2.315 1.00 0.00 C ATOM 1612 O VAL A 109 16.829 -5.160 1.877 1.00 0.00 O ATOM 1613 CB VAL A 109 17.394 -8.057 0.624 1.00 0.00 C ATOM 1614 CG1 VAL A 109 18.430 -9.115 0.257 1.00 0.00 C ATOM 1615 CG2 VAL A 109 16.027 -8.721 0.772 1.00 0.00 C ATOM 0 H VAL A 109 17.505 -9.213 2.822 1.00 0.00 H new ATOM 0 HA VAL A 109 18.745 -6.832 1.746 1.00 0.00 H new ATOM 0 HB VAL A 109 17.340 -7.309 -0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 109 18.130 -9.614 -0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 109 19.400 -8.640 0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 109 18.501 -9.849 1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 109 15.762 -9.220 -0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 109 16.064 -9.454 1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 109 15.278 -7.964 1.004 1.00 0.00 H new ATOM 1625 N ALA A 110 15.795 -6.699 3.147 1.00 0.00 N ATOM 1626 CA ALA A 110 14.785 -5.772 3.638 1.00 0.00 C ATOM 1627 C ALA A 110 15.423 -4.778 4.610 1.00 0.00 C ATOM 1628 O ALA A 110 14.921 -3.668 4.778 1.00 0.00 O ATOM 1629 CB ALA A 110 13.673 -6.562 4.324 1.00 0.00 C ATOM 0 H ALA A 110 15.694 -7.653 3.493 1.00 0.00 H new ATOM 0 HA ALA A 110 14.359 -5.211 2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 110 12.913 -5.874 4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.222 -7.251 3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.089 -7.126 5.159 1.00 0.00 H new ATOM 1635 N LYS A 111 16.530 -5.176 5.249 1.00 0.00 N ATOM 1636 CA LYS A 111 17.247 -4.323 6.181 1.00 0.00 C ATOM 1637 C LYS A 111 18.013 -3.242 5.426 1.00 0.00 C ATOM 1638 O LYS A 111 18.052 -2.092 5.859 1.00 0.00 O ATOM 1639 CB LYS A 111 18.197 -5.193 7.000 1.00 0.00 C ATOM 1640 CG LYS A 111 18.898 -4.365 8.075 1.00 0.00 C ATOM 1641 CD LYS A 111 19.834 -5.262 8.882 1.00 0.00 C ATOM 1642 CE LYS A 111 19.023 -6.244 9.731 1.00 0.00 C ATOM 1643 NZ LYS A 111 19.912 -7.101 10.540 1.00 0.00 N ATOM 0 H LYS A 111 16.947 -6.099 5.129 1.00 0.00 H new ATOM 0 HA LYS A 111 16.545 -3.824 6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 111 17.642 -6.007 7.466 1.00 0.00 H new ATOM 0 HB3 LYS A 111 18.939 -5.648 6.343 1.00 0.00 H new ATOM 0 HG2 LYS A 111 19.462 -3.554 7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 111 18.161 -3.906 8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 111 20.494 -5.810 8.209 1.00 0.00 H new ATOM 0 HD3 LYS A 111 20.469 -4.652 9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 111 18.348 -5.693 10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 111 18.403 -6.865 9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 19.339 -7.758 11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 20.539 -7.642 9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 20.485 -6.507 11.173 1.00 0.00 H new ATOM 1657 N ALA A 112 18.624 -3.611 4.296 1.00 0.00 N ATOM 1658 CA ALA A 112 19.416 -2.677 3.508 1.00 0.00 C ATOM 1659 C ALA A 112 18.515 -1.685 2.775 1.00 0.00 C ATOM 1660 O ALA A 112 18.808 -0.492 2.737 1.00 0.00 O ATOM 1661 CB ALA A 112 20.272 -3.461 2.514 1.00 0.00 C ATOM 0 H ALA A 112 18.582 -4.554 3.910 1.00 0.00 H new ATOM 0 HA ALA A 112 20.064 -2.107 4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 112 20.868 -2.767 1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 112 20.934 -4.136 3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 112 19.625 -4.040 1.855 1.00 0.00 H new ATOM 1667 N LEU A 113 17.417 -2.176 2.188 1.00 0.00 N ATOM 1668 CA LEU A 113 16.508 -1.315 1.447 1.00 0.00 C ATOM 1669 C LEU A 113 15.767 -0.371 2.394 1.00 0.00 C ATOM 1670 O LEU A 113 15.320 0.694 1.977 1.00 0.00 O ATOM 1671 CB LEU A 113 15.516 -2.179 0.664 1.00 0.00 C ATOM 1672 CG LEU A 113 16.219 -2.992 -0.433 1.00 0.00 C ATOM 1673 CD1 LEU A 113 15.217 -3.970 -1.045 1.00 0.00 C ATOM 1674 CD2 LEU A 113 16.743 -2.075 -1.535 1.00 0.00 C ATOM 0 H LEU A 113 17.144 -3.158 2.215 1.00 0.00 H new ATOM 0 HA LEU A 113 17.082 -0.706 0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 113 15.003 -2.856 1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 113 14.754 -1.543 0.214 1.00 0.00 H new ATOM 0 HG LEU A 113 17.058 -3.526 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 113 15.707 -4.552 -1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.845 -4.641 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 113 14.383 -3.415 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.237 -2.672 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.911 -1.530 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 113 17.455 -1.367 -1.111 1.00 0.00 H new ATOM 1686 N ALA A 114 15.639 -0.758 3.669 1.00 0.00 N ATOM 1687 CA ALA A 114 15.043 0.102 4.682 1.00 0.00 C ATOM 1688 C ALA A 114 16.055 1.148 5.156 1.00 0.00 C ATOM 1689 O ALA A 114 15.664 2.214 5.631 1.00 0.00 O ATOM 1690 CB ALA A 114 14.564 -0.752 5.857 1.00 0.00 C ATOM 0 H ALA A 114 15.944 -1.667 4.018 1.00 0.00 H new ATOM 0 HA ALA A 114 14.190 0.626 4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 114 14.118 -0.109 6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 114 13.822 -1.469 5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.411 -1.287 6.287 1.00 0.00 H new ATOM 1696 N ALA A 115 17.353 0.850 5.027 1.00 0.00 N ATOM 1697 CA ALA A 115 18.404 1.782 5.414 1.00 0.00 C ATOM 1698 C ALA A 115 18.556 2.889 4.369 1.00 0.00 C ATOM 1699 O ALA A 115 19.192 3.903 4.637 1.00 0.00 O ATOM 1700 CB ALA A 115 19.716 1.029 5.600 1.00 0.00 C ATOM 0 H ALA A 115 17.696 -0.036 4.655 1.00 0.00 H new ATOM 0 HA ALA A 115 18.131 2.251 6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 115 20.500 1.729 5.889 1.00 0.00 H new ATOM 0 HB2 ALA A 115 19.596 0.276 6.379 1.00 0.00 H new ATOM 0 HB3 ALA A 115 19.992 0.542 4.665 1.00 0.00 H new ATOM 1706 N LEU A 116 17.980 2.703 3.179 1.00 0.00 N ATOM 1707 CA LEU A 116 17.982 3.750 2.164 1.00 0.00 C ATOM 1708 C LEU A 116 17.071 4.917 2.557 1.00 0.00 C ATOM 1709 O LEU A 116 17.106 5.964 1.910 1.00 0.00 O ATOM 1710 CB LEU A 116 17.532 3.167 0.822 1.00 0.00 C ATOM 1711 CG LEU A 116 18.494 2.091 0.310 1.00 0.00 C ATOM 1712 CD1 LEU A 116 17.943 1.515 -0.994 1.00 0.00 C ATOM 1713 CD2 LEU A 116 19.880 2.676 0.048 1.00 0.00 C ATOM 0 H LEU A 116 17.510 1.842 2.899 1.00 0.00 H new ATOM 0 HA LEU A 116 18.998 4.135 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 116 16.535 2.740 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.459 3.967 0.086 1.00 0.00 H new ATOM 0 HG LEU A 116 18.583 1.313 1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 116 18.621 0.747 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 116 16.962 1.076 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 116 17.853 2.311 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 116 20.544 1.891 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 116 19.807 3.464 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 116 20.281 3.091 0.973 1.00 0.00 H new ATOM 1725 N LEU A 117 16.258 4.750 3.608 1.00 0.00 N ATOM 1726 CA LEU A 117 15.302 5.770 4.023 1.00 0.00 C ATOM 1727 C LEU A 117 15.858 6.624 5.168 1.00 0.00 C ATOM 1728 O LEU A 117 15.234 7.616 5.549 1.00 0.00 O ATOM 1729 CB LEU A 117 13.991 5.099 4.451 1.00 0.00 C ATOM 1730 CG LEU A 117 13.106 4.736 3.256 1.00 0.00 C ATOM 1731 CD1 LEU A 117 13.737 3.656 2.380 1.00 0.00 C ATOM 1732 CD2 LEU A 117 11.766 4.216 3.776 1.00 0.00 C ATOM 0 H LEU A 117 16.248 3.910 4.186 1.00 0.00 H new ATOM 0 HA LEU A 117 15.115 6.432 3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 117 14.216 4.197 5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 117 13.444 5.767 5.116 1.00 0.00 H new ATOM 0 HG LEU A 117 12.979 5.633 2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 117 13.073 3.431 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 117 14.694 4.011 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 117 13.895 2.754 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 117 11.126 3.954 2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 117 11.933 3.333 4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 117 11.282 4.990 4.372 1.00 0.00 H new ATOM 1744 N VAL A 118 17.020 6.257 5.721 1.00 0.00 N ATOM 1745 CA VAL A 118 17.619 6.984 6.837 1.00 0.00 C ATOM 1746 C VAL A 118 18.202 8.332 6.413 1.00 0.00 C ATOM 1747 O VAL A 118 18.542 8.470 5.216 1.00 0.00 O ATOM 1748 CB VAL A 118 18.649 6.115 7.576 1.00 0.00 C ATOM 1749 CG1 VAL A 118 18.143 4.676 7.712 1.00 0.00 C ATOM 1750 CG2 VAL A 118 19.989 6.128 6.841 1.00 0.00 C ATOM 0 H VAL A 118 17.565 5.454 5.408 1.00 0.00 H new ATOM 0 HA VAL A 118 16.816 7.211 7.539 1.00 0.00 H new ATOM 0 HB VAL A 118 18.790 6.533 8.573 1.00 0.00 H new ATOM 0 HG11 VAL A 118 18.887 4.077 8.238 1.00 0.00 H new ATOM 0 HG12 VAL A 118 17.209 4.670 8.274 1.00 0.00 H new ATOM 0 HG13 VAL A 118 17.973 4.255 6.721 1.00 0.00 H new ATOM 0 HG21 VAL A 118 20.705 5.507 7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.855 5.736 5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 118 20.364 7.150 6.786 1.00 0.00 H new TER 1760 VAL A 118