USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 600 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.00905 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0.0807 USER MOD Single : A 6 GLN : amide:sc= -0.0678 X(o=-0.068,f=-0.068) USER MOD Single : A 7 GLN : amide:sc= 0.559 K(o=0.56,f=-0.02) USER MOD Single : A 13 GLN : amide:sc= 0.939 K(o=0.94,f=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -0.107 USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= 2.27 (180deg=1.84) USER MOD Single : A 31 CYS SG : rot 69:sc= 0.221 USER MOD Single : A 33 GLN : amide:sc= -0.0044 X(o=-0.0044,f=-0.0044) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0.371 K(o=0.37,f=-3.9!) USER MOD Single : A 37 ASN : amide:sc= 0.888 K(o=0.89,f=0) USER MOD Single : A 41 MET CE :methyl -125:sc= -0.154 (180deg=-0.561) USER MOD Single : A 49 CYS SG : rot 81:sc= -0.0888 USER MOD Single : A 50 THR OG1 : rot 78:sc= 1.05 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -75:sc= 0.0989 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= 0.948 (180deg=0.635) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.257 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= -0.0988 USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= 0.823 (180deg=0.743) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.129 0.234 2.439 1.00 0.00 N ATOM 2 CA MET A 1 1.085 1.334 2.159 1.00 0.00 C ATOM 3 C MET A 1 2.512 0.803 2.271 1.00 0.00 C ATOM 4 O MET A 1 2.836 0.087 3.220 1.00 0.00 O ATOM 5 CB MET A 1 0.843 2.542 3.084 1.00 0.00 C ATOM 6 CG MET A 1 1.731 3.744 2.733 1.00 0.00 C ATOM 7 SD MET A 1 1.595 4.372 1.030 1.00 0.00 S ATOM 8 CE MET A 1 -0.073 5.100 1.068 1.00 0.00 C ATOM 0 H1 MET A 1 -0.661 0.598 3.009 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.236 -0.145 1.542 1.00 0.00 H new ATOM 0 H3 MET A 1 0.614 -0.522 2.963 1.00 0.00 H new ATOM 0 HA MET A 1 0.928 1.694 1.142 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.204 2.838 3.021 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.029 2.247 4.117 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.493 4.558 3.418 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.770 3.468 2.915 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.305 5.528 0.093 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.802 4.326 1.308 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.111 5.882 1.826 1.00 0.00 H new ATOM 18 N SER A 2 3.375 1.109 1.302 1.00 0.00 N ATOM 19 CA SER A 2 4.735 0.549 1.227 1.00 0.00 C ATOM 20 C SER A 2 5.693 1.136 2.282 1.00 0.00 C ATOM 21 O SER A 2 5.673 2.339 2.556 1.00 0.00 O ATOM 22 CB SER A 2 5.325 0.770 -0.178 1.00 0.00 C ATOM 23 OG SER A 2 4.446 0.307 -1.200 1.00 0.00 O ATOM 0 H SER A 2 3.155 1.753 0.543 1.00 0.00 H new ATOM 0 HA SER A 2 4.639 -0.517 1.435 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.526 1.831 -0.325 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.280 0.251 -0.257 1.00 0.00 H new ATOM 0 HG SER A 2 4.853 0.465 -2.078 1.00 0.00 H new ATOM 29 N ALA A 3 6.581 0.302 2.840 1.00 0.00 N ATOM 30 CA ALA A 3 7.682 0.736 3.705 1.00 0.00 C ATOM 31 C ALA A 3 8.818 1.318 2.838 1.00 0.00 C ATOM 32 O ALA A 3 9.699 0.591 2.373 1.00 0.00 O ATOM 33 CB ALA A 3 8.131 -0.451 4.575 1.00 0.00 C ATOM 0 H ALA A 3 6.553 -0.708 2.700 1.00 0.00 H new ATOM 0 HA ALA A 3 7.363 1.530 4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.950 -0.138 5.222 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.295 -0.791 5.186 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.466 -1.266 3.934 1.00 0.00 H new ATOM 39 N SER A 4 8.760 2.617 2.579 1.00 0.00 N ATOM 40 CA SER A 4 9.705 3.317 1.701 1.00 0.00 C ATOM 41 C SER A 4 11.120 3.395 2.292 1.00 0.00 C ATOM 42 O SER A 4 11.344 3.969 3.362 1.00 0.00 O ATOM 43 CB SER A 4 9.167 4.716 1.359 1.00 0.00 C ATOM 44 OG SER A 4 10.141 5.481 0.657 1.00 0.00 O ATOM 0 H SER A 4 8.047 3.229 2.976 1.00 0.00 H new ATOM 0 HA SER A 4 9.792 2.734 0.784 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.266 4.624 0.753 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.884 5.234 2.275 1.00 0.00 H new ATOM 0 HG SER A 4 9.775 6.366 0.449 1.00 0.00 H new ATOM 50 N ALA A 5 12.110 2.873 1.557 1.00 0.00 N ATOM 51 CA ALA A 5 13.526 2.987 1.904 1.00 0.00 C ATOM 52 C ALA A 5 14.005 4.449 1.931 1.00 0.00 C ATOM 53 O ALA A 5 14.875 4.797 2.730 1.00 0.00 O ATOM 54 CB ALA A 5 14.333 2.146 0.904 1.00 0.00 C ATOM 0 H ALA A 5 11.945 2.354 0.695 1.00 0.00 H new ATOM 0 HA ALA A 5 13.679 2.610 2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 5 15.394 2.216 1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 5 14.015 1.105 0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 5 14.163 2.520 -0.106 1.00 0.00 H new ATOM 60 N GLN A 6 13.423 5.320 1.097 1.00 0.00 N ATOM 61 CA GLN A 6 13.746 6.748 1.056 1.00 0.00 C ATOM 62 C GLN A 6 13.175 7.506 2.261 1.00 0.00 C ATOM 63 O GLN A 6 13.843 8.390 2.801 1.00 0.00 O ATOM 64 CB GLN A 6 13.234 7.367 -0.260 1.00 0.00 C ATOM 65 CG GLN A 6 13.873 6.784 -1.534 1.00 0.00 C ATOM 66 CD GLN A 6 15.385 7.002 -1.593 1.00 0.00 C ATOM 67 OE1 GLN A 6 16.182 6.120 -1.300 1.00 0.00 O ATOM 68 NE2 GLN A 6 15.845 8.185 -1.948 1.00 0.00 N ATOM 0 H GLN A 6 12.706 5.047 0.424 1.00 0.00 H new ATOM 0 HA GLN A 6 14.831 6.841 1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.154 7.229 -0.315 1.00 0.00 H new ATOM 0 HB3 GLN A 6 13.417 8.441 -0.236 1.00 0.00 H new ATOM 0 HG2 GLN A 6 13.663 5.716 -1.584 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.410 7.241 -2.409 1.00 0.00 H new ATOM 0 HE21 GLN A 6 15.195 8.932 -2.195 1.00 0.00 H new ATOM 0 HE22 GLN A 6 16.851 8.354 -1.975 1.00 0.00 H new ATOM 77 N GLN A 7 11.964 7.151 2.713 1.00 0.00 N ATOM 78 CA GLN A 7 11.374 7.725 3.923 1.00 0.00 C ATOM 79 C GLN A 7 12.167 7.301 5.167 1.00 0.00 C ATOM 80 O GLN A 7 12.393 8.118 6.060 1.00 0.00 O ATOM 81 CB GLN A 7 9.894 7.303 4.017 1.00 0.00 C ATOM 82 CG GLN A 7 9.152 7.808 5.267 1.00 0.00 C ATOM 83 CD GLN A 7 9.103 9.335 5.384 1.00 0.00 C ATOM 84 OE1 GLN A 7 8.154 9.992 4.965 1.00 0.00 O ATOM 85 NE2 GLN A 7 10.122 9.955 5.942 1.00 0.00 N ATOM 0 H GLN A 7 11.371 6.461 2.251 1.00 0.00 H new ATOM 0 HA GLN A 7 11.420 8.813 3.872 1.00 0.00 H new ATOM 0 HB2 GLN A 7 9.372 7.665 3.132 1.00 0.00 H new ATOM 0 HB3 GLN A 7 9.840 6.215 3.996 1.00 0.00 H new ATOM 0 HG2 GLN A 7 8.133 7.421 5.254 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.636 7.401 6.155 1.00 0.00 H new ATOM 0 HE21 GLN A 7 10.915 9.418 6.293 1.00 0.00 H new ATOM 0 HE22 GLN A 7 10.118 10.972 6.023 1.00 0.00 H new ATOM 94 N LEU A 8 12.620 6.041 5.210 1.00 0.00 N ATOM 95 CA LEU A 8 13.494 5.521 6.263 1.00 0.00 C ATOM 96 C LEU A 8 14.834 6.268 6.268 1.00 0.00 C ATOM 97 O LEU A 8 15.228 6.823 7.296 1.00 0.00 O ATOM 98 CB LEU A 8 13.618 3.998 6.059 1.00 0.00 C ATOM 99 CG LEU A 8 14.048 3.222 7.319 1.00 0.00 C ATOM 100 CD1 LEU A 8 13.625 1.750 7.172 1.00 0.00 C ATOM 101 CD2 LEU A 8 15.554 3.299 7.614 1.00 0.00 C ATOM 0 H LEU A 8 12.384 5.346 4.502 1.00 0.00 H new ATOM 0 HA LEU A 8 13.077 5.692 7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.659 3.610 5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.340 3.807 5.265 1.00 0.00 H new ATOM 0 HG LEU A 8 13.548 3.695 8.165 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.926 1.194 8.060 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.543 1.692 7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.106 1.319 6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.778 2.728 8.515 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.111 2.884 6.774 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.843 4.339 7.762 1.00 0.00 H new ATOM 113 N ALA A 9 15.506 6.337 5.110 1.00 0.00 N ATOM 114 CA ALA A 9 16.790 7.022 4.934 1.00 0.00 C ATOM 115 C ALA A 9 16.745 8.510 5.318 1.00 0.00 C ATOM 116 O ALA A 9 17.716 9.019 5.882 1.00 0.00 O ATOM 117 CB ALA A 9 17.239 6.839 3.478 1.00 0.00 C ATOM 0 H ALA A 9 15.162 5.907 4.251 1.00 0.00 H new ATOM 0 HA ALA A 9 17.512 6.573 5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.194 7.342 3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.350 5.776 3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.492 7.269 2.810 1.00 0.00 H new ATOM 123 N GLU A 10 15.629 9.202 5.066 1.00 0.00 N ATOM 124 CA GLU A 10 15.464 10.609 5.439 1.00 0.00 C ATOM 125 C GLU A 10 15.508 10.813 6.971 1.00 0.00 C ATOM 126 O GLU A 10 16.141 11.763 7.439 1.00 0.00 O ATOM 127 CB GLU A 10 14.159 11.160 4.836 1.00 0.00 C ATOM 128 CG GLU A 10 14.007 12.681 4.970 1.00 0.00 C ATOM 129 CD GLU A 10 15.034 13.452 4.127 1.00 0.00 C ATOM 130 OE1 GLU A 10 16.155 13.722 4.616 1.00 0.00 O ATOM 131 OE2 GLU A 10 14.728 13.789 2.956 1.00 0.00 O ATOM 0 H GLU A 10 14.816 8.802 4.598 1.00 0.00 H new ATOM 0 HA GLU A 10 16.305 11.169 5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.116 10.892 3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.312 10.676 5.322 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.001 12.970 4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.116 12.963 6.017 1.00 0.00 H new ATOM 138 N GLU A 11 14.922 9.906 7.767 1.00 0.00 N ATOM 139 CA GLU A 11 14.992 9.991 9.232 1.00 0.00 C ATOM 140 C GLU A 11 16.431 9.800 9.737 1.00 0.00 C ATOM 141 O GLU A 11 16.854 10.484 10.675 1.00 0.00 O ATOM 142 CB GLU A 11 14.060 8.963 9.893 1.00 0.00 C ATOM 143 CG GLU A 11 12.565 9.159 9.582 1.00 0.00 C ATOM 144 CD GLU A 11 12.034 10.517 10.056 1.00 0.00 C ATOM 145 OE1 GLU A 11 11.967 10.743 11.287 1.00 0.00 O ATOM 146 OE2 GLU A 11 11.666 11.359 9.204 1.00 0.00 O ATOM 0 H GLU A 11 14.394 9.105 7.420 1.00 0.00 H new ATOM 0 HA GLU A 11 14.660 10.991 9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.356 7.964 9.572 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.201 9.006 10.973 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.407 9.067 8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.992 8.363 10.058 1.00 0.00 H new ATOM 153 N LEU A 12 17.227 8.927 9.096 1.00 0.00 N ATOM 154 CA LEU A 12 18.627 8.685 9.460 1.00 0.00 C ATOM 155 C LEU A 12 19.496 9.954 9.370 1.00 0.00 C ATOM 156 O LEU A 12 20.441 10.103 10.146 1.00 0.00 O ATOM 157 CB LEU A 12 19.229 7.570 8.583 1.00 0.00 C ATOM 158 CG LEU A 12 18.461 6.236 8.490 1.00 0.00 C ATOM 159 CD1 LEU A 12 19.318 5.213 7.737 1.00 0.00 C ATOM 160 CD2 LEU A 12 18.062 5.632 9.842 1.00 0.00 C ATOM 0 H LEU A 12 16.911 8.367 8.305 1.00 0.00 H new ATOM 0 HA LEU A 12 18.627 8.369 10.503 1.00 0.00 H new ATOM 0 HB2 LEU A 12 19.342 7.963 7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 12 20.231 7.355 8.955 1.00 0.00 H new ATOM 0 HG LEU A 12 17.533 6.465 7.966 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.780 4.268 7.668 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.530 5.584 6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.255 5.059 8.272 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.527 4.696 9.679 1.00 0.00 H new ATOM 0 HD22 LEU A 12 18.957 5.440 10.433 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.418 6.330 10.376 1.00 0.00 H new ATOM 172 N GLN A 13 19.166 10.886 8.467 1.00 0.00 N ATOM 173 CA GLN A 13 19.874 12.164 8.319 1.00 0.00 C ATOM 174 C GLN A 13 19.589 13.151 9.469 1.00 0.00 C ATOM 175 O GLN A 13 20.394 14.054 9.713 1.00 0.00 O ATOM 176 CB GLN A 13 19.512 12.835 6.979 1.00 0.00 C ATOM 177 CG GLN A 13 19.740 11.954 5.741 1.00 0.00 C ATOM 178 CD GLN A 13 19.917 12.772 4.454 1.00 0.00 C ATOM 179 OE1 GLN A 13 21.002 12.850 3.887 1.00 0.00 O ATOM 180 NE2 GLN A 13 18.893 13.434 3.948 1.00 0.00 N ATOM 0 H GLN A 13 18.392 10.773 7.812 1.00 0.00 H new ATOM 0 HA GLN A 13 20.937 11.922 8.346 1.00 0.00 H new ATOM 0 HB2 GLN A 13 18.464 13.133 7.008 1.00 0.00 H new ATOM 0 HB3 GLN A 13 20.100 13.747 6.873 1.00 0.00 H new ATOM 0 HG2 GLN A 13 20.624 11.336 5.898 1.00 0.00 H new ATOM 0 HG3 GLN A 13 18.895 11.276 5.622 1.00 0.00 H new ATOM 0 HE21 GLN A 13 17.980 13.385 4.401 1.00 0.00 H new ATOM 0 HE22 GLN A 13 19.015 13.994 3.104 1.00 0.00 H new ATOM 189 N ILE A 14 18.469 12.994 10.186 1.00 0.00 N ATOM 190 CA ILE A 14 18.093 13.856 11.325 1.00 0.00 C ATOM 191 C ILE A 14 18.893 13.470 12.579 1.00 0.00 C ATOM 192 O ILE A 14 19.421 14.340 13.277 1.00 0.00 O ATOM 193 CB ILE A 14 16.563 13.779 11.582 1.00 0.00 C ATOM 194 CG1 ILE A 14 15.776 14.190 10.315 1.00 0.00 C ATOM 195 CG2 ILE A 14 16.158 14.663 12.777 1.00 0.00 C ATOM 196 CD1 ILE A 14 14.254 14.030 10.432 1.00 0.00 C ATOM 0 H ILE A 14 17.788 12.259 9.994 1.00 0.00 H new ATOM 0 HA ILE A 14 18.338 14.889 11.079 1.00 0.00 H new ATOM 0 HB ILE A 14 16.315 12.746 11.825 1.00 0.00 H new ATOM 0 HG12 ILE A 14 16.003 15.231 10.083 1.00 0.00 H new ATOM 0 HG13 ILE A 14 16.128 13.592 9.474 1.00 0.00 H new ATOM 0 HG21 ILE A 14 15.082 14.591 12.935 1.00 0.00 H new ATOM 0 HG22 ILE A 14 16.680 14.326 13.673 1.00 0.00 H new ATOM 0 HG23 ILE A 14 16.425 15.699 12.570 1.00 0.00 H new ATOM 0 HD11 ILE A 14 13.783 14.341 9.500 1.00 0.00 H new ATOM 0 HD12 ILE A 14 14.012 12.986 10.630 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.885 14.650 11.249 1.00 0.00 H new ATOM 208 N PHE A 15 18.997 12.167 12.845 1.00 0.00 N ATOM 209 CA PHE A 15 19.559 11.613 14.078 1.00 0.00 C ATOM 210 C PHE A 15 21.028 11.153 13.944 1.00 0.00 C ATOM 211 O PHE A 15 21.617 10.705 14.927 1.00 0.00 O ATOM 212 CB PHE A 15 18.621 10.490 14.552 1.00 0.00 C ATOM 213 CG PHE A 15 17.202 10.973 14.801 1.00 0.00 C ATOM 214 CD1 PHE A 15 16.924 11.814 15.891 1.00 0.00 C ATOM 215 CD2 PHE A 15 16.165 10.623 13.918 1.00 0.00 C ATOM 216 CE1 PHE A 15 15.619 12.298 16.105 1.00 0.00 C ATOM 217 CE2 PHE A 15 14.860 11.107 14.121 1.00 0.00 C ATOM 218 CZ PHE A 15 14.586 11.949 15.215 1.00 0.00 C ATOM 0 H PHE A 15 18.684 11.449 12.192 1.00 0.00 H new ATOM 0 HA PHE A 15 19.611 12.400 14.830 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.604 9.697 13.804 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.018 10.054 15.469 1.00 0.00 H new ATOM 0 HD1 PHE A 15 17.717 12.091 16.570 1.00 0.00 H new ATOM 0 HD2 PHE A 15 16.372 9.977 13.077 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.411 12.936 16.951 1.00 0.00 H new ATOM 0 HE2 PHE A 15 14.069 10.833 13.438 1.00 0.00 H new ATOM 0 HZ PHE A 15 13.586 12.326 15.371 1.00 0.00 H new ATOM 228 N GLY A 16 21.635 11.268 12.755 1.00 0.00 N ATOM 229 CA GLY A 16 23.059 10.988 12.517 1.00 0.00 C ATOM 230 C GLY A 16 23.402 9.494 12.415 1.00 0.00 C ATOM 231 O GLY A 16 24.533 9.103 12.707 1.00 0.00 O ATOM 0 H GLY A 16 21.140 11.564 11.914 1.00 0.00 H new ATOM 0 HA2 GLY A 16 23.365 11.483 11.595 1.00 0.00 H new ATOM 0 HA3 GLY A 16 23.644 11.429 13.325 1.00 0.00 H new ATOM 235 N LEU A 17 22.429 8.666 12.033 1.00 0.00 N ATOM 236 CA LEU A 17 22.546 7.208 11.958 1.00 0.00 C ATOM 237 C LEU A 17 23.268 6.815 10.658 1.00 0.00 C ATOM 238 O LEU A 17 22.682 6.833 9.574 1.00 0.00 O ATOM 239 CB LEU A 17 21.135 6.588 12.055 1.00 0.00 C ATOM 240 CG LEU A 17 20.362 6.906 13.348 1.00 0.00 C ATOM 241 CD1 LEU A 17 18.913 6.452 13.179 1.00 0.00 C ATOM 242 CD2 LEU A 17 20.960 6.237 14.591 1.00 0.00 C ATOM 0 H LEU A 17 21.506 9.003 11.758 1.00 0.00 H new ATOM 0 HA LEU A 17 23.140 6.824 12.787 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.546 6.933 11.205 1.00 0.00 H new ATOM 0 HB3 LEU A 17 21.225 5.506 11.962 1.00 0.00 H new ATOM 0 HG LEU A 17 20.426 7.982 13.508 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.354 6.672 14.089 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.462 6.981 12.339 1.00 0.00 H new ATOM 0 HD13 LEU A 17 18.888 5.379 12.988 1.00 0.00 H new ATOM 0 HD21 LEU A 17 20.368 6.502 15.467 1.00 0.00 H new ATOM 0 HD22 LEU A 17 20.952 5.155 14.461 1.00 0.00 H new ATOM 0 HD23 LEU A 17 21.986 6.578 14.730 1.00 0.00 H new ATOM 254 N ASP A 18 24.550 6.468 10.750 1.00 0.00 N ATOM 255 CA ASP A 18 25.408 6.158 9.600 1.00 0.00 C ATOM 256 C ASP A 18 25.260 4.685 9.157 1.00 0.00 C ATOM 257 O ASP A 18 26.142 3.847 9.365 1.00 0.00 O ATOM 258 CB ASP A 18 26.854 6.598 9.901 1.00 0.00 C ATOM 259 CG ASP A 18 27.821 6.345 8.731 1.00 0.00 C ATOM 260 OD1 ASP A 18 27.499 6.740 7.584 1.00 0.00 O ATOM 261 OD2 ASP A 18 28.926 5.800 8.966 1.00 0.00 O ATOM 0 H ASP A 18 25.035 6.392 11.644 1.00 0.00 H new ATOM 0 HA ASP A 18 25.084 6.731 8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 18 26.860 7.660 10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 18 27.213 6.066 10.782 1.00 0.00 H new ATOM 266 N CYS A 19 24.118 4.392 8.531 1.00 0.00 N ATOM 267 CA CYS A 19 23.838 3.158 7.786 1.00 0.00 C ATOM 268 C CYS A 19 24.335 3.240 6.326 1.00 0.00 C ATOM 269 O CYS A 19 24.457 4.329 5.752 1.00 0.00 O ATOM 270 CB CYS A 19 22.316 2.907 7.785 1.00 0.00 C ATOM 271 SG CYS A 19 21.704 2.555 9.461 1.00 0.00 S ATOM 0 H CYS A 19 23.327 5.036 8.528 1.00 0.00 H new ATOM 0 HA CYS A 19 24.368 2.341 8.276 1.00 0.00 H new ATOM 0 HB2 CYS A 19 21.801 3.780 7.383 1.00 0.00 H new ATOM 0 HB3 CYS A 19 22.084 2.069 7.127 1.00 0.00 H new ATOM 0 HG CYS A 19 20.421 2.352 9.421 1.00 0.00 H new ATOM 277 N GLU A 20 24.521 2.074 5.703 1.00 0.00 N ATOM 278 CA GLU A 20 24.572 1.902 4.244 1.00 0.00 C ATOM 279 C GLU A 20 23.211 1.425 3.703 1.00 0.00 C ATOM 280 O GLU A 20 22.323 1.029 4.466 1.00 0.00 O ATOM 281 CB GLU A 20 25.721 0.954 3.851 1.00 0.00 C ATOM 282 CG GLU A 20 25.639 -0.463 4.425 1.00 0.00 C ATOM 283 CD GLU A 20 26.843 -1.299 3.959 1.00 0.00 C ATOM 284 OE1 GLU A 20 26.828 -1.797 2.812 1.00 0.00 O ATOM 285 OE2 GLU A 20 27.821 -1.452 4.731 1.00 0.00 O ATOM 0 H GLU A 20 24.644 1.198 6.211 1.00 0.00 H new ATOM 0 HA GLU A 20 24.778 2.868 3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 20 25.754 0.884 2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.662 1.402 4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 20 25.617 -0.421 5.514 1.00 0.00 H new ATOM 0 HG3 GLU A 20 24.712 -0.939 4.106 1.00 0.00 H new ATOM 292 N GLU A 21 23.041 1.423 2.379 1.00 0.00 N ATOM 293 CA GLU A 21 21.818 0.971 1.710 1.00 0.00 C ATOM 294 C GLU A 21 21.437 -0.471 2.087 1.00 0.00 C ATOM 295 O GLU A 21 20.250 -0.761 2.264 1.00 0.00 O ATOM 296 CB GLU A 21 21.975 1.082 0.183 1.00 0.00 C ATOM 297 CG GLU A 21 22.103 2.539 -0.286 1.00 0.00 C ATOM 298 CD GLU A 21 22.240 2.617 -1.814 1.00 0.00 C ATOM 299 OE1 GLU A 21 21.204 2.713 -2.517 1.00 0.00 O ATOM 300 OE2 GLU A 21 23.391 2.590 -2.315 1.00 0.00 O ATOM 0 H GLU A 21 23.761 1.741 1.730 1.00 0.00 H new ATOM 0 HA GLU A 21 21.013 1.622 2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 21 22.857 0.523 -0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 21 21.115 0.621 -0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 21 21.228 3.105 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 21 22.971 3.001 0.184 1.00 0.00 H new ATOM 307 N ALA A 22 22.423 -1.356 2.284 1.00 0.00 N ATOM 308 CA ALA A 22 22.186 -2.737 2.720 1.00 0.00 C ATOM 309 C ALA A 22 21.615 -2.826 4.146 1.00 0.00 C ATOM 310 O ALA A 22 20.883 -3.771 4.458 1.00 0.00 O ATOM 311 CB ALA A 22 23.498 -3.521 2.580 1.00 0.00 C ATOM 0 H ALA A 22 23.409 -1.133 2.145 1.00 0.00 H new ATOM 0 HA ALA A 22 21.421 -3.179 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 22 23.342 -4.551 2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.820 -3.509 1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 22 24.265 -3.060 3.202 1.00 0.00 H new ATOM 317 N LEU A 23 21.916 -1.846 5.008 1.00 0.00 N ATOM 318 CA LEU A 23 21.342 -1.729 6.352 1.00 0.00 C ATOM 319 C LEU A 23 19.998 -0.986 6.337 1.00 0.00 C ATOM 320 O LEU A 23 19.110 -1.361 7.094 1.00 0.00 O ATOM 321 CB LEU A 23 22.354 -1.073 7.306 1.00 0.00 C ATOM 322 CG LEU A 23 23.633 -1.902 7.557 1.00 0.00 C ATOM 323 CD1 LEU A 23 24.564 -1.114 8.490 1.00 0.00 C ATOM 324 CD2 LEU A 23 23.355 -3.285 8.169 1.00 0.00 C ATOM 0 H LEU A 23 22.576 -1.101 4.786 1.00 0.00 H new ATOM 0 HA LEU A 23 21.131 -2.732 6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 23 22.640 -0.103 6.900 1.00 0.00 H new ATOM 0 HB3 LEU A 23 21.864 -0.887 8.262 1.00 0.00 H new ATOM 0 HG LEU A 23 24.097 -2.075 6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.470 -1.692 8.673 1.00 0.00 H new ATOM 0 HD12 LEU A 23 24.827 -0.164 8.024 1.00 0.00 H new ATOM 0 HD13 LEU A 23 24.057 -0.926 9.436 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.297 -3.813 8.319 1.00 0.00 H new ATOM 0 HD22 LEU A 23 22.851 -3.164 9.128 1.00 0.00 H new ATOM 0 HD23 LEU A 23 22.720 -3.860 7.495 1.00 0.00 H new ATOM 336 N ILE A 24 19.777 -0.017 5.441 1.00 0.00 N ATOM 337 CA ILE A 24 18.434 0.563 5.207 1.00 0.00 C ATOM 338 C ILE A 24 17.441 -0.538 4.796 1.00 0.00 C ATOM 339 O ILE A 24 16.368 -0.669 5.395 1.00 0.00 O ATOM 340 CB ILE A 24 18.530 1.724 4.188 1.00 0.00 C ATOM 341 CG1 ILE A 24 19.229 2.937 4.839 1.00 0.00 C ATOM 342 CG2 ILE A 24 17.144 2.146 3.661 1.00 0.00 C ATOM 343 CD1 ILE A 24 19.837 3.929 3.837 1.00 0.00 C ATOM 0 H ILE A 24 20.510 0.389 4.860 1.00 0.00 H new ATOM 0 HA ILE A 24 18.045 0.992 6.130 1.00 0.00 H new ATOM 0 HB ILE A 24 19.114 1.368 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 24 18.508 3.465 5.463 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.018 2.576 5.499 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.259 2.963 2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.669 1.298 3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 24 16.523 2.475 4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.308 4.750 4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.584 3.420 3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.051 4.323 3.192 1.00 0.00 H new ATOM 355 N GLU A 25 17.830 -1.393 3.846 1.00 0.00 N ATOM 356 CA GLU A 25 17.073 -2.595 3.484 1.00 0.00 C ATOM 357 C GLU A 25 16.876 -3.537 4.686 1.00 0.00 C ATOM 358 O GLU A 25 15.807 -4.132 4.819 1.00 0.00 O ATOM 359 CB GLU A 25 17.752 -3.344 2.325 1.00 0.00 C ATOM 360 CG GLU A 25 17.596 -2.609 0.986 1.00 0.00 C ATOM 361 CD GLU A 25 18.205 -3.435 -0.159 1.00 0.00 C ATOM 362 OE1 GLU A 25 19.443 -3.400 -0.354 1.00 0.00 O ATOM 363 OE2 GLU A 25 17.443 -4.120 -0.888 1.00 0.00 O ATOM 0 H GLU A 25 18.685 -1.270 3.303 1.00 0.00 H new ATOM 0 HA GLU A 25 16.087 -2.264 3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 25 18.812 -3.469 2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.324 -4.343 2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.540 -2.425 0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 25 18.085 -1.636 1.040 1.00 0.00 H new ATOM 370 N LYS A 26 17.843 -3.646 5.606 1.00 0.00 N ATOM 371 CA LYS A 26 17.694 -4.445 6.827 1.00 0.00 C ATOM 372 C LYS A 26 16.614 -3.918 7.788 1.00 0.00 C ATOM 373 O LYS A 26 15.967 -4.735 8.449 1.00 0.00 O ATOM 374 CB LYS A 26 19.067 -4.649 7.502 1.00 0.00 C ATOM 375 CG LYS A 26 19.062 -5.577 8.728 1.00 0.00 C ATOM 376 CD LYS A 26 18.560 -7.002 8.456 1.00 0.00 C ATOM 377 CE LYS A 26 18.474 -7.759 9.787 1.00 0.00 C ATOM 378 NZ LYS A 26 17.955 -9.134 9.601 1.00 0.00 N ATOM 0 H LYS A 26 18.748 -3.183 5.524 1.00 0.00 H new ATOM 0 HA LYS A 26 17.319 -5.424 6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.761 -5.052 6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.454 -3.676 7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 26 20.075 -5.634 9.127 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.439 -5.129 9.502 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.582 -6.972 7.975 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.236 -7.516 7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.462 -7.802 10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.826 -7.215 10.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.655 -9.519 10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.142 -9.114 8.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.703 -9.736 9.201 1.00 0.00 H new ATOM 392 N LEU A 27 16.338 -2.607 7.842 1.00 0.00 N ATOM 393 CA LEU A 27 15.186 -2.079 8.592 1.00 0.00 C ATOM 394 C LEU A 27 13.884 -2.170 7.790 1.00 0.00 C ATOM 395 O LEU A 27 12.861 -2.527 8.371 1.00 0.00 O ATOM 396 CB LEU A 27 15.420 -0.637 9.078 1.00 0.00 C ATOM 397 CG LEU A 27 16.438 -0.409 10.212 1.00 0.00 C ATOM 398 CD1 LEU A 27 16.222 -1.374 11.388 1.00 0.00 C ATOM 399 CD2 LEU A 27 17.875 -0.493 9.703 1.00 0.00 C ATOM 0 H LEU A 27 16.896 -1.892 7.376 1.00 0.00 H new ATOM 0 HA LEU A 27 15.083 -2.715 9.471 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.738 -0.044 8.221 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.461 -0.236 9.405 1.00 0.00 H new ATOM 0 HG LEU A 27 16.268 0.602 10.582 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.963 -1.175 12.162 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.222 -1.231 11.797 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.328 -2.401 11.040 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.564 -0.327 10.531 1.00 0.00 H new ATOM 0 HD22 LEU A 27 18.052 -1.480 9.275 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.035 0.268 8.939 1.00 0.00 H new ATOM 411 N VAL A 28 13.909 -1.965 6.465 1.00 0.00 N ATOM 412 CA VAL A 28 12.738 -2.232 5.599 1.00 0.00 C ATOM 413 C VAL A 28 12.279 -3.702 5.711 1.00 0.00 C ATOM 414 O VAL A 28 11.076 -3.957 5.774 1.00 0.00 O ATOM 415 CB VAL A 28 12.994 -1.840 4.122 1.00 0.00 C ATOM 416 CG1 VAL A 28 11.853 -2.262 3.177 1.00 0.00 C ATOM 417 CG2 VAL A 28 13.175 -0.313 3.977 1.00 0.00 C ATOM 0 H VAL A 28 14.726 -1.615 5.964 1.00 0.00 H new ATOM 0 HA VAL A 28 11.930 -1.596 5.962 1.00 0.00 H new ATOM 0 HB VAL A 28 13.902 -2.372 3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.093 -1.959 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.731 -3.345 3.214 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.926 -1.782 3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.353 -0.065 2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.274 0.195 4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.026 0.011 4.576 1.00 0.00 H new ATOM 427 N GLU A 29 13.209 -4.659 5.835 1.00 0.00 N ATOM 428 CA GLU A 29 12.903 -6.074 6.102 1.00 0.00 C ATOM 429 C GLU A 29 12.054 -6.242 7.377 1.00 0.00 C ATOM 430 O GLU A 29 11.040 -6.942 7.333 1.00 0.00 O ATOM 431 CB GLU A 29 14.216 -6.869 6.203 1.00 0.00 C ATOM 432 CG GLU A 29 14.002 -8.370 6.433 1.00 0.00 C ATOM 433 CD GLU A 29 15.343 -9.109 6.558 1.00 0.00 C ATOM 434 OE1 GLU A 29 15.861 -9.235 7.695 1.00 0.00 O ATOM 435 OE2 GLU A 29 15.877 -9.584 5.526 1.00 0.00 O ATOM 0 H GLU A 29 14.208 -4.471 5.752 1.00 0.00 H new ATOM 0 HA GLU A 29 12.310 -6.464 5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.789 -6.727 5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.815 -6.465 7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.414 -8.522 7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.428 -8.789 5.606 1.00 0.00 H new ATOM 442 N LEU A 30 12.397 -5.559 8.481 1.00 0.00 N ATOM 443 CA LEU A 30 11.612 -5.616 9.720 1.00 0.00 C ATOM 444 C LEU A 30 10.219 -5.030 9.511 1.00 0.00 C ATOM 445 O LEU A 30 9.241 -5.618 9.955 1.00 0.00 O ATOM 446 CB LEU A 30 12.316 -4.886 10.882 1.00 0.00 C ATOM 447 CG LEU A 30 13.801 -5.207 11.096 1.00 0.00 C ATOM 448 CD1 LEU A 30 14.320 -4.494 12.351 1.00 0.00 C ATOM 449 CD2 LEU A 30 14.089 -6.715 11.203 1.00 0.00 C ATOM 0 H LEU A 30 13.219 -4.958 8.538 1.00 0.00 H new ATOM 0 HA LEU A 30 11.520 -6.669 9.987 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.220 -3.813 10.718 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.781 -5.117 11.803 1.00 0.00 H new ATOM 0 HG LEU A 30 14.324 -4.845 10.211 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.375 -4.729 12.493 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.201 -3.417 12.233 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.754 -4.829 13.220 1.00 0.00 H new ATOM 0 HD21 LEU A 30 15.157 -6.872 11.354 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.539 -7.132 12.047 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.775 -7.211 10.285 1.00 0.00 H new ATOM 461 N CYS A 31 10.106 -3.910 8.789 1.00 0.00 N ATOM 462 CA CYS A 31 8.828 -3.269 8.460 1.00 0.00 C ATOM 463 C CYS A 31 7.883 -4.229 7.717 1.00 0.00 C ATOM 464 O CYS A 31 6.687 -4.294 8.019 1.00 0.00 O ATOM 465 CB CYS A 31 9.078 -1.999 7.630 1.00 0.00 C ATOM 466 SG CYS A 31 10.155 -0.823 8.501 1.00 0.00 S ATOM 0 H CYS A 31 10.914 -3.415 8.410 1.00 0.00 H new ATOM 0 HA CYS A 31 8.338 -2.994 9.394 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.533 -2.271 6.678 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.126 -1.520 7.403 1.00 0.00 H new ATOM 0 HG CYS A 31 11.357 -1.312 8.579 1.00 0.00 H new ATOM 472 N VAL A 32 8.425 -5.000 6.773 1.00 0.00 N ATOM 473 CA VAL A 32 7.691 -5.988 5.961 1.00 0.00 C ATOM 474 C VAL A 32 7.340 -7.247 6.780 1.00 0.00 C ATOM 475 O VAL A 32 6.225 -7.751 6.671 1.00 0.00 O ATOM 476 CB VAL A 32 8.489 -6.344 4.679 1.00 0.00 C ATOM 477 CG1 VAL A 32 7.877 -7.508 3.877 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.570 -5.115 3.757 1.00 0.00 C ATOM 0 H VAL A 32 9.417 -4.957 6.541 1.00 0.00 H new ATOM 0 HA VAL A 32 6.748 -5.536 5.654 1.00 0.00 H new ATOM 0 HB VAL A 32 9.477 -6.657 5.017 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.487 -7.702 2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.845 -8.402 4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.865 -7.245 3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.131 -5.371 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.564 -4.802 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.072 -4.301 4.279 1.00 0.00 H new ATOM 488 N GLN A 33 8.257 -7.729 7.627 1.00 0.00 N ATOM 489 CA GLN A 33 8.062 -8.907 8.476 1.00 0.00 C ATOM 490 C GLN A 33 7.046 -8.659 9.610 1.00 0.00 C ATOM 491 O GLN A 33 6.145 -9.470 9.816 1.00 0.00 O ATOM 492 CB GLN A 33 9.445 -9.316 9.029 1.00 0.00 C ATOM 493 CG GLN A 33 9.441 -10.580 9.907 1.00 0.00 C ATOM 494 CD GLN A 33 9.004 -11.842 9.158 1.00 0.00 C ATOM 495 OE1 GLN A 33 7.990 -12.465 9.458 1.00 0.00 O ATOM 496 NE2 GLN A 33 9.727 -12.266 8.137 1.00 0.00 N ATOM 0 H GLN A 33 9.175 -7.300 7.743 1.00 0.00 H new ATOM 0 HA GLN A 33 7.635 -9.715 7.883 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.123 -9.475 8.191 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.847 -8.487 9.612 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.441 -10.735 10.311 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.775 -10.422 10.755 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.574 -11.765 7.869 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.438 -13.095 7.617 1.00 0.00 H new ATOM 505 N TYR A 34 7.174 -7.537 10.326 1.00 0.00 N ATOM 506 CA TYR A 34 6.387 -7.204 11.522 1.00 0.00 C ATOM 507 C TYR A 34 5.139 -6.339 11.242 1.00 0.00 C ATOM 508 O TYR A 34 4.324 -6.141 12.146 1.00 0.00 O ATOM 509 CB TYR A 34 7.324 -6.548 12.558 1.00 0.00 C ATOM 510 CG TYR A 34 8.230 -7.558 13.239 1.00 0.00 C ATOM 511 CD1 TYR A 34 9.463 -7.919 12.654 1.00 0.00 C ATOM 512 CD2 TYR A 34 7.813 -8.187 14.429 1.00 0.00 C ATOM 513 CE1 TYR A 34 10.259 -8.921 13.239 1.00 0.00 C ATOM 514 CE2 TYR A 34 8.610 -9.191 15.018 1.00 0.00 C ATOM 515 CZ TYR A 34 9.828 -9.573 14.414 1.00 0.00 C ATOM 516 OH TYR A 34 10.586 -10.556 14.970 1.00 0.00 O ATOM 0 H TYR A 34 7.849 -6.812 10.083 1.00 0.00 H new ATOM 0 HA TYR A 34 5.978 -8.133 11.918 1.00 0.00 H new ATOM 0 HB2 TYR A 34 7.934 -5.791 12.065 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.726 -6.034 13.311 1.00 0.00 H new ATOM 0 HD1 TYR A 34 9.797 -7.424 11.754 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.880 -7.900 14.892 1.00 0.00 H new ATOM 0 HE1 TYR A 34 11.202 -9.192 12.788 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.288 -9.668 15.932 1.00 0.00 H new ATOM 0 HH TYR A 34 10.142 -10.896 15.775 1.00 0.00 H new ATOM 526 N GLY A 35 4.969 -5.815 10.022 1.00 0.00 N ATOM 527 CA GLY A 35 3.782 -5.037 9.617 1.00 0.00 C ATOM 528 C GLY A 35 3.714 -3.662 10.291 1.00 0.00 C ATOM 529 O GLY A 35 2.626 -3.178 10.602 1.00 0.00 O ATOM 0 H GLY A 35 5.657 -5.918 9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.791 -4.906 8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.882 -5.602 9.862 1.00 0.00 H new ATOM 533 N GLN A 36 4.876 -3.064 10.556 1.00 0.00 N ATOM 534 CA GLN A 36 5.068 -1.843 11.339 1.00 0.00 C ATOM 535 C GLN A 36 5.832 -0.797 10.504 1.00 0.00 C ATOM 536 O GLN A 36 6.571 -1.145 9.580 1.00 0.00 O ATOM 537 CB GLN A 36 5.805 -2.241 12.637 1.00 0.00 C ATOM 538 CG GLN A 36 6.121 -1.102 13.620 1.00 0.00 C ATOM 539 CD GLN A 36 4.864 -0.378 14.098 1.00 0.00 C ATOM 540 OE1 GLN A 36 4.433 0.617 13.525 1.00 0.00 O ATOM 541 NE2 GLN A 36 4.208 -0.850 15.138 1.00 0.00 N ATOM 0 H GLN A 36 5.759 -3.440 10.210 1.00 0.00 H new ATOM 0 HA GLN A 36 4.119 -1.377 11.606 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.202 -2.985 13.158 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.742 -2.726 12.363 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.653 -1.506 14.481 1.00 0.00 H new ATOM 0 HG3 GLN A 36 6.788 -0.386 13.140 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.553 -1.677 15.626 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.355 -0.389 15.455 1.00 0.00 H new ATOM 550 N ASN A 37 5.657 0.488 10.815 1.00 0.00 N ATOM 551 CA ASN A 37 6.276 1.594 10.074 1.00 0.00 C ATOM 552 C ASN A 37 7.807 1.679 10.243 1.00 0.00 C ATOM 553 O ASN A 37 8.385 1.267 11.252 1.00 0.00 O ATOM 554 CB ASN A 37 5.605 2.925 10.470 1.00 0.00 C ATOM 555 CG ASN A 37 4.319 3.166 9.687 1.00 0.00 C ATOM 556 OD1 ASN A 37 3.216 2.966 10.185 1.00 0.00 O ATOM 557 ND2 ASN A 37 4.425 3.593 8.440 1.00 0.00 N ATOM 0 H ASN A 37 5.077 0.796 11.595 1.00 0.00 H new ATOM 0 HA ASN A 37 6.111 1.394 9.015 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.385 2.917 11.537 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.298 3.748 10.293 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.586 3.759 7.885 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.346 3.757 8.034 1.00 0.00 H new ATOM 564 N GLU A 38 8.442 2.332 9.266 1.00 0.00 N ATOM 565 CA GLU A 38 9.865 2.673 9.228 1.00 0.00 C ATOM 566 C GLU A 38 10.266 3.619 10.378 1.00 0.00 C ATOM 567 O GLU A 38 11.304 3.428 11.012 1.00 0.00 O ATOM 568 CB GLU A 38 10.235 3.229 7.832 1.00 0.00 C ATOM 569 CG GLU A 38 9.454 4.442 7.289 1.00 0.00 C ATOM 570 CD GLU A 38 8.097 4.077 6.662 1.00 0.00 C ATOM 571 OE1 GLU A 38 7.118 3.899 7.422 1.00 0.00 O ATOM 572 OE2 GLU A 38 7.999 3.972 5.416 1.00 0.00 O ATOM 0 H GLU A 38 7.948 2.655 8.434 1.00 0.00 H new ATOM 0 HA GLU A 38 10.446 1.765 9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.291 3.498 7.852 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.126 2.417 7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.290 5.150 8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.064 4.950 6.542 1.00 0.00 H new ATOM 579 N GLU A 39 9.401 4.581 10.724 1.00 0.00 N ATOM 580 CA GLU A 39 9.574 5.453 11.891 1.00 0.00 C ATOM 581 C GLU A 39 9.523 4.659 13.211 1.00 0.00 C ATOM 582 O GLU A 39 10.191 5.027 14.180 1.00 0.00 O ATOM 583 CB GLU A 39 8.488 6.542 11.905 1.00 0.00 C ATOM 584 CG GLU A 39 8.597 7.522 10.729 1.00 0.00 C ATOM 585 CD GLU A 39 7.491 8.585 10.808 1.00 0.00 C ATOM 586 OE1 GLU A 39 7.663 9.602 11.521 1.00 0.00 O ATOM 587 OE2 GLU A 39 6.428 8.409 10.163 1.00 0.00 O ATOM 0 H GLU A 39 8.552 4.777 10.195 1.00 0.00 H new ATOM 0 HA GLU A 39 10.558 5.914 11.811 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.507 6.067 11.884 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.553 7.098 12.840 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.574 8.005 10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.520 6.979 9.787 1.00 0.00 H new ATOM 594 N GLY A 40 8.783 3.541 13.251 1.00 0.00 N ATOM 595 CA GLY A 40 8.710 2.627 14.400 1.00 0.00 C ATOM 596 C GLY A 40 9.993 1.813 14.585 1.00 0.00 C ATOM 597 O GLY A 40 10.405 1.575 15.718 1.00 0.00 O ATOM 0 H GLY A 40 8.205 3.240 12.466 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.515 3.202 15.305 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.869 1.947 14.266 1.00 0.00 H new ATOM 601 N MET A 41 10.656 1.437 13.483 1.00 0.00 N ATOM 602 CA MET A 41 11.993 0.827 13.536 1.00 0.00 C ATOM 603 C MET A 41 13.050 1.860 13.928 1.00 0.00 C ATOM 604 O MET A 41 13.751 1.670 14.921 1.00 0.00 O ATOM 605 CB MET A 41 12.369 0.145 12.206 1.00 0.00 C ATOM 606 CG MET A 41 11.436 -1.009 11.827 1.00 0.00 C ATOM 607 SD MET A 41 11.153 -2.240 13.128 1.00 0.00 S ATOM 608 CE MET A 41 9.596 -2.900 12.498 1.00 0.00 C ATOM 0 H MET A 41 10.286 1.545 12.539 1.00 0.00 H new ATOM 0 HA MET A 41 11.962 0.053 14.303 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.357 0.889 11.409 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.390 -0.231 12.275 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.474 -0.593 11.529 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.848 -1.516 10.954 1.00 0.00 H new ATOM 0 HE1 MET A 41 8.833 -2.836 13.274 1.00 0.00 H new ATOM 0 HE2 MET A 41 9.280 -2.321 11.630 1.00 0.00 H new ATOM 0 HE3 MET A 41 9.733 -3.942 12.209 1.00 0.00 H new ATOM 618 N VAL A 42 13.148 2.976 13.194 1.00 0.00 N ATOM 619 CA VAL A 42 14.193 4.003 13.404 1.00 0.00 C ATOM 620 C VAL A 42 14.094 4.647 14.800 1.00 0.00 C ATOM 621 O VAL A 42 15.122 4.886 15.432 1.00 0.00 O ATOM 622 CB VAL A 42 14.169 5.069 12.282 1.00 0.00 C ATOM 623 CG1 VAL A 42 15.121 6.255 12.543 1.00 0.00 C ATOM 624 CG2 VAL A 42 14.568 4.434 10.934 1.00 0.00 C ATOM 0 H VAL A 42 12.506 3.199 12.434 1.00 0.00 H new ATOM 0 HA VAL A 42 15.157 3.496 13.356 1.00 0.00 H new ATOM 0 HB VAL A 42 13.148 5.449 12.259 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.054 6.964 11.718 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.838 6.751 13.471 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.144 5.889 12.624 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.547 5.194 10.153 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.573 4.020 11.010 1.00 0.00 H new ATOM 0 HG23 VAL A 42 13.866 3.638 10.685 1.00 0.00 H new ATOM 634 N GLY A 43 12.879 4.872 15.322 1.00 0.00 N ATOM 635 CA GLY A 43 12.662 5.496 16.633 1.00 0.00 C ATOM 636 C GLY A 43 13.156 4.657 17.814 1.00 0.00 C ATOM 637 O GLY A 43 13.664 5.211 18.791 1.00 0.00 O ATOM 0 H GLY A 43 12.014 4.624 14.842 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.166 6.462 16.651 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.597 5.690 16.759 1.00 0.00 H new ATOM 641 N GLU A 44 13.068 3.328 17.721 1.00 0.00 N ATOM 642 CA GLU A 44 13.601 2.404 18.734 1.00 0.00 C ATOM 643 C GLU A 44 15.103 2.143 18.536 1.00 0.00 C ATOM 644 O GLU A 44 15.831 1.967 19.513 1.00 0.00 O ATOM 645 CB GLU A 44 12.830 1.071 18.712 1.00 0.00 C ATOM 646 CG GLU A 44 11.357 1.218 19.132 1.00 0.00 C ATOM 647 CD GLU A 44 11.191 1.783 20.549 1.00 0.00 C ATOM 648 OE1 GLU A 44 11.680 1.159 21.519 1.00 0.00 O ATOM 649 OE2 GLU A 44 10.558 2.855 20.713 1.00 0.00 O ATOM 0 H GLU A 44 12.622 2.856 16.935 1.00 0.00 H new ATOM 0 HA GLU A 44 13.468 2.880 19.706 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.875 0.649 17.708 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.322 0.362 19.378 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.847 1.871 18.424 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.870 0.244 19.076 1.00 0.00 H new ATOM 656 N LEU A 45 15.589 2.167 17.286 1.00 0.00 N ATOM 657 CA LEU A 45 17.002 1.945 16.957 1.00 0.00 C ATOM 658 C LEU A 45 17.921 3.031 17.534 1.00 0.00 C ATOM 659 O LEU A 45 19.024 2.730 17.977 1.00 0.00 O ATOM 660 CB LEU A 45 17.117 1.846 15.426 1.00 0.00 C ATOM 661 CG LEU A 45 18.523 1.502 14.894 1.00 0.00 C ATOM 662 CD1 LEU A 45 19.001 0.114 15.353 1.00 0.00 C ATOM 663 CD2 LEU A 45 18.465 1.571 13.359 1.00 0.00 C ATOM 0 H LEU A 45 15.005 2.343 16.468 1.00 0.00 H new ATOM 0 HA LEU A 45 17.340 1.017 17.419 1.00 0.00 H new ATOM 0 HB2 LEU A 45 16.417 1.088 15.073 1.00 0.00 H new ATOM 0 HB3 LEU A 45 16.804 2.796 14.992 1.00 0.00 H new ATOM 0 HG LEU A 45 19.242 2.217 15.294 1.00 0.00 H new ATOM 0 HD11 LEU A 45 19.996 -0.079 14.951 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.037 0.083 16.442 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.309 -0.647 14.991 1.00 0.00 H new ATOM 0 HD21 LEU A 45 19.445 1.333 12.947 1.00 0.00 H new ATOM 0 HD22 LEU A 45 17.732 0.854 12.990 1.00 0.00 H new ATOM 0 HD23 LEU A 45 18.176 2.576 13.051 1.00 0.00 H new ATOM 675 N ILE A 46 17.450 4.280 17.588 1.00 0.00 N ATOM 676 CA ILE A 46 18.179 5.425 18.179 1.00 0.00 C ATOM 677 C ILE A 46 18.549 5.158 19.638 1.00 0.00 C ATOM 678 O ILE A 46 19.693 5.404 20.024 1.00 0.00 O ATOM 679 CB ILE A 46 17.339 6.717 18.036 1.00 0.00 C ATOM 680 CG1 ILE A 46 17.309 7.124 16.550 1.00 0.00 C ATOM 681 CG2 ILE A 46 17.899 7.887 18.869 1.00 0.00 C ATOM 682 CD1 ILE A 46 16.140 8.045 16.196 1.00 0.00 C ATOM 0 H ILE A 46 16.535 4.537 17.218 1.00 0.00 H new ATOM 0 HA ILE A 46 19.113 5.558 17.634 1.00 0.00 H new ATOM 0 HB ILE A 46 16.338 6.504 18.410 1.00 0.00 H new ATOM 0 HG12 ILE A 46 18.245 7.624 16.299 1.00 0.00 H new ATOM 0 HG13 ILE A 46 17.253 6.225 15.936 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.270 8.766 18.730 1.00 0.00 H new ATOM 0 HG22 ILE A 46 17.909 7.611 19.923 1.00 0.00 H new ATOM 0 HG23 ILE A 46 18.915 8.112 18.543 1.00 0.00 H new ATOM 0 HD11 ILE A 46 16.180 8.292 15.135 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.199 7.540 16.416 1.00 0.00 H new ATOM 0 HD13 ILE A 46 16.207 8.960 16.784 1.00 0.00 H new ATOM 694 N ALA A 47 17.624 4.623 20.443 1.00 0.00 N ATOM 695 CA ALA A 47 17.876 4.306 21.854 1.00 0.00 C ATOM 696 C ALA A 47 18.991 3.252 22.014 1.00 0.00 C ATOM 697 O ALA A 47 19.850 3.399 22.888 1.00 0.00 O ATOM 698 CB ALA A 47 16.556 3.858 22.495 1.00 0.00 C ATOM 0 H ALA A 47 16.678 4.397 20.134 1.00 0.00 H new ATOM 0 HA ALA A 47 18.238 5.196 22.369 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.724 3.618 23.545 1.00 0.00 H new ATOM 0 HB2 ALA A 47 15.824 4.662 22.419 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.181 2.975 21.977 1.00 0.00 H new ATOM 704 N PHE A 48 19.015 2.228 21.146 1.00 0.00 N ATOM 705 CA PHE A 48 20.068 1.214 21.138 1.00 0.00 C ATOM 706 C PHE A 48 21.424 1.809 20.736 1.00 0.00 C ATOM 707 O PHE A 48 22.392 1.648 21.475 1.00 0.00 O ATOM 708 CB PHE A 48 19.657 0.044 20.231 1.00 0.00 C ATOM 709 CG PHE A 48 20.608 -1.139 20.298 1.00 0.00 C ATOM 710 CD1 PHE A 48 20.912 -1.734 21.543 1.00 0.00 C ATOM 711 CD2 PHE A 48 21.204 -1.640 19.123 1.00 0.00 C ATOM 712 CE1 PHE A 48 21.815 -2.812 21.611 1.00 0.00 C ATOM 713 CE2 PHE A 48 22.093 -2.726 19.198 1.00 0.00 C ATOM 714 CZ PHE A 48 22.406 -3.307 20.437 1.00 0.00 C ATOM 0 H PHE A 48 18.302 2.085 20.431 1.00 0.00 H new ATOM 0 HA PHE A 48 20.193 0.831 22.151 1.00 0.00 H new ATOM 0 HB2 PHE A 48 18.657 -0.288 20.510 1.00 0.00 H new ATOM 0 HB3 PHE A 48 19.600 0.396 19.201 1.00 0.00 H new ATOM 0 HD1 PHE A 48 20.450 -1.361 22.445 1.00 0.00 H new ATOM 0 HD2 PHE A 48 20.978 -1.190 18.167 1.00 0.00 H new ATOM 0 HE1 PHE A 48 22.053 -3.258 22.565 1.00 0.00 H new ATOM 0 HE2 PHE A 48 22.539 -3.117 18.295 1.00 0.00 H new ATOM 0 HZ PHE A 48 23.100 -4.133 20.487 1.00 0.00 H new ATOM 724 N CYS A 49 21.485 2.565 19.631 1.00 0.00 N ATOM 725 CA CYS A 49 22.711 3.235 19.169 1.00 0.00 C ATOM 726 C CYS A 49 23.256 4.266 20.177 1.00 0.00 C ATOM 727 O CYS A 49 24.474 4.425 20.294 1.00 0.00 O ATOM 728 CB CYS A 49 22.431 3.878 17.803 1.00 0.00 C ATOM 729 SG CYS A 49 22.111 2.578 16.575 1.00 0.00 S ATOM 0 H CYS A 49 20.680 2.731 19.027 1.00 0.00 H new ATOM 0 HA CYS A 49 23.496 2.485 19.076 1.00 0.00 H new ATOM 0 HB2 CYS A 49 21.573 4.546 17.873 1.00 0.00 H new ATOM 0 HB3 CYS A 49 23.282 4.484 17.493 1.00 0.00 H new ATOM 0 HG CYS A 49 20.881 2.173 16.683 1.00 0.00 H new ATOM 735 N THR A 50 22.376 4.934 20.937 1.00 0.00 N ATOM 736 CA THR A 50 22.740 5.832 22.050 1.00 0.00 C ATOM 737 C THR A 50 23.310 5.038 23.221 1.00 0.00 C ATOM 738 O THR A 50 24.354 5.407 23.746 1.00 0.00 O ATOM 739 CB THR A 50 21.534 6.679 22.481 1.00 0.00 C ATOM 740 OG1 THR A 50 21.076 7.420 21.374 1.00 0.00 O ATOM 741 CG2 THR A 50 21.888 7.682 23.579 1.00 0.00 C ATOM 0 H THR A 50 21.368 4.865 20.794 1.00 0.00 H new ATOM 0 HA THR A 50 23.517 6.513 21.703 1.00 0.00 H new ATOM 0 HB THR A 50 20.779 5.991 22.861 1.00 0.00 H new ATOM 0 HG1 THR A 50 20.557 6.837 20.782 1.00 0.00 H new ATOM 0 HG21 THR A 50 21.001 8.256 23.848 1.00 0.00 H new ATOM 0 HG22 THR A 50 22.254 7.148 24.456 1.00 0.00 H new ATOM 0 HG23 THR A 50 22.662 8.359 23.218 1.00 0.00 H new ATOM 749 N SER A 51 22.672 3.931 23.601 1.00 0.00 N ATOM 750 CA SER A 51 23.104 3.073 24.718 1.00 0.00 C ATOM 751 C SER A 51 24.468 2.396 24.478 1.00 0.00 C ATOM 752 O SER A 51 25.320 2.386 25.377 1.00 0.00 O ATOM 753 CB SER A 51 22.017 2.022 25.001 1.00 0.00 C ATOM 754 OG SER A 51 22.307 1.258 26.166 1.00 0.00 O ATOM 0 H SER A 51 21.827 3.595 23.138 1.00 0.00 H new ATOM 0 HA SER A 51 23.241 3.716 25.587 1.00 0.00 H new ATOM 0 HB2 SER A 51 21.055 2.519 25.123 1.00 0.00 H new ATOM 0 HB3 SER A 51 21.925 1.355 24.144 1.00 0.00 H new ATOM 0 HG SER A 51 21.593 0.603 26.313 1.00 0.00 H new ATOM 760 N THR A 52 24.719 1.881 23.260 1.00 0.00 N ATOM 761 CA THR A 52 26.017 1.291 22.858 1.00 0.00 C ATOM 762 C THR A 52 27.066 2.348 22.529 1.00 0.00 C ATOM 763 O THR A 52 28.258 2.054 22.625 1.00 0.00 O ATOM 764 CB THR A 52 25.847 0.345 21.670 1.00 0.00 C ATOM 765 OG1 THR A 52 25.385 1.065 20.550 1.00 0.00 O ATOM 766 CG2 THR A 52 24.880 -0.805 21.970 1.00 0.00 C ATOM 0 H THR A 52 24.021 1.861 22.517 1.00 0.00 H new ATOM 0 HA THR A 52 26.375 0.727 23.720 1.00 0.00 H new ATOM 0 HB THR A 52 26.824 -0.092 21.464 1.00 0.00 H new ATOM 0 HG1 THR A 52 24.436 1.279 20.668 1.00 0.00 H new ATOM 0 HG21 THR A 52 24.795 -1.447 21.093 1.00 0.00 H new ATOM 0 HG22 THR A 52 25.257 -1.387 22.811 1.00 0.00 H new ATOM 0 HG23 THR A 52 23.899 -0.400 22.219 1.00 0.00 H new ATOM 774 N HIS A 53 26.623 3.544 22.134 1.00 0.00 N ATOM 775 CA HIS A 53 27.387 4.730 21.701 1.00 0.00 C ATOM 776 C HIS A 53 27.829 4.664 20.221 1.00 0.00 C ATOM 777 O HIS A 53 28.422 5.614 19.701 1.00 0.00 O ATOM 778 CB HIS A 53 28.570 5.060 22.642 1.00 0.00 C ATOM 779 CG HIS A 53 28.194 5.195 24.099 1.00 0.00 C ATOM 780 ND1 HIS A 53 28.190 4.191 25.043 1.00 0.00 N ATOM 781 CD2 HIS A 53 27.821 6.345 24.741 1.00 0.00 C ATOM 782 CE1 HIS A 53 27.807 4.719 26.217 1.00 0.00 C ATOM 783 NE2 HIS A 53 27.576 6.039 26.090 1.00 0.00 N ATOM 0 H HIS A 53 25.621 3.731 22.104 1.00 0.00 H new ATOM 0 HA HIS A 53 26.687 5.562 21.774 1.00 0.00 H new ATOM 0 HB2 HIS A 53 29.323 4.278 22.545 1.00 0.00 H new ATOM 0 HB3 HIS A 53 29.032 5.990 22.311 1.00 0.00 H new ATOM 0 HD2 HIS A 53 27.731 7.321 24.288 1.00 0.00 H new ATOM 0 HE1 HIS A 53 27.699 4.162 27.136 1.00 0.00 H new ATOM 0 HE2 HIS A 53 27.283 6.685 26.823 1.00 0.00 H new ATOM 791 N LYS A 54 27.547 3.564 19.511 1.00 0.00 N ATOM 792 CA LYS A 54 27.884 3.404 18.096 1.00 0.00 C ATOM 793 C LYS A 54 26.857 4.097 17.181 1.00 0.00 C ATOM 794 O LYS A 54 25.789 3.555 16.889 1.00 0.00 O ATOM 795 CB LYS A 54 28.057 1.907 17.765 1.00 0.00 C ATOM 796 CG LYS A 54 29.526 1.459 17.866 1.00 0.00 C ATOM 797 CD LYS A 54 30.083 1.350 19.294 1.00 0.00 C ATOM 798 CE LYS A 54 29.463 0.166 20.055 1.00 0.00 C ATOM 799 NZ LYS A 54 29.976 0.080 21.447 1.00 0.00 N ATOM 0 H LYS A 54 27.073 2.753 19.910 1.00 0.00 H new ATOM 0 HA LYS A 54 28.835 3.902 17.904 1.00 0.00 H new ATOM 0 HB2 LYS A 54 27.449 1.313 18.447 1.00 0.00 H new ATOM 0 HB3 LYS A 54 27.688 1.714 16.758 1.00 0.00 H new ATOM 0 HG2 LYS A 54 29.627 0.489 17.379 1.00 0.00 H new ATOM 0 HG3 LYS A 54 30.142 2.162 17.306 1.00 0.00 H new ATOM 0 HD2 LYS A 54 31.166 1.231 19.255 1.00 0.00 H new ATOM 0 HD3 LYS A 54 29.883 2.275 19.835 1.00 0.00 H new ATOM 0 HE2 LYS A 54 28.378 0.272 20.073 1.00 0.00 H new ATOM 0 HE3 LYS A 54 29.684 -0.762 19.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 29.835 -0.884 21.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 30.990 0.310 21.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 29.462 0.755 22.049 1.00 0.00 H new ATOM 813 N VAL A 55 27.210 5.294 16.703 1.00 0.00 N ATOM 814 CA VAL A 55 26.408 6.079 15.728 1.00 0.00 C ATOM 815 C VAL A 55 26.558 5.588 14.280 1.00 0.00 C ATOM 816 O VAL A 55 25.742 5.929 13.422 1.00 0.00 O ATOM 817 CB VAL A 55 26.684 7.598 15.807 1.00 0.00 C ATOM 818 CG1 VAL A 55 26.296 8.144 17.191 1.00 0.00 C ATOM 819 CG2 VAL A 55 28.145 7.964 15.483 1.00 0.00 C ATOM 0 H VAL A 55 28.073 5.762 16.980 1.00 0.00 H new ATOM 0 HA VAL A 55 25.374 5.908 16.027 1.00 0.00 H new ATOM 0 HB VAL A 55 26.064 8.065 15.042 1.00 0.00 H new ATOM 0 HG11 VAL A 55 26.497 9.215 17.229 1.00 0.00 H new ATOM 0 HG12 VAL A 55 25.235 7.967 17.367 1.00 0.00 H new ATOM 0 HG13 VAL A 55 26.881 7.638 17.959 1.00 0.00 H new ATOM 0 HG21 VAL A 55 28.274 9.044 15.556 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.810 7.470 16.192 1.00 0.00 H new ATOM 0 HG23 VAL A 55 28.386 7.637 14.472 1.00 0.00 H new ATOM 829 N GLY A 56 27.574 4.756 14.019 1.00 0.00 N ATOM 830 CA GLY A 56 27.748 3.972 12.786 1.00 0.00 C ATOM 831 C GLY A 56 27.363 2.514 13.011 1.00 0.00 C ATOM 832 O GLY A 56 27.771 1.909 14.006 1.00 0.00 O ATOM 0 H GLY A 56 28.329 4.603 14.687 1.00 0.00 H new ATOM 0 HA2 GLY A 56 27.135 4.396 11.991 1.00 0.00 H new ATOM 0 HA3 GLY A 56 28.785 4.032 12.455 1.00 0.00 H new ATOM 836 N LEU A 57 26.560 1.958 12.097 1.00 0.00 N ATOM 837 CA LEU A 57 25.899 0.659 12.259 1.00 0.00 C ATOM 838 C LEU A 57 26.554 -0.443 11.414 1.00 0.00 C ATOM 839 O LEU A 57 27.285 -0.171 10.457 1.00 0.00 O ATOM 840 CB LEU A 57 24.393 0.807 11.963 1.00 0.00 C ATOM 841 CG LEU A 57 23.628 1.608 13.046 1.00 0.00 C ATOM 842 CD1 LEU A 57 23.614 3.124 12.782 1.00 0.00 C ATOM 843 CD2 LEU A 57 22.193 1.085 13.140 1.00 0.00 C ATOM 0 H LEU A 57 26.347 2.408 11.206 1.00 0.00 H new ATOM 0 HA LEU A 57 26.020 0.339 13.294 1.00 0.00 H new ATOM 0 HB2 LEU A 57 24.267 1.301 11.000 1.00 0.00 H new ATOM 0 HB3 LEU A 57 23.949 -0.184 11.874 1.00 0.00 H new ATOM 0 HG LEU A 57 24.156 1.461 13.988 1.00 0.00 H new ATOM 0 HD11 LEU A 57 23.063 3.627 13.577 1.00 0.00 H new ATOM 0 HD12 LEU A 57 24.637 3.499 12.757 1.00 0.00 H new ATOM 0 HD13 LEU A 57 23.132 3.322 11.825 1.00 0.00 H new ATOM 0 HD21 LEU A 57 21.650 1.646 13.901 1.00 0.00 H new ATOM 0 HD22 LEU A 57 21.697 1.207 12.177 1.00 0.00 H new ATOM 0 HD23 LEU A 57 22.208 0.029 13.409 1.00 0.00 H new ATOM 855 N THR A 58 26.269 -1.694 11.795 1.00 0.00 N ATOM 856 CA THR A 58 26.801 -2.939 11.214 1.00 0.00 C ATOM 857 C THR A 58 25.714 -4.006 11.200 1.00 0.00 C ATOM 858 O THR A 58 24.704 -3.894 11.899 1.00 0.00 O ATOM 859 CB THR A 58 28.004 -3.459 12.021 1.00 0.00 C ATOM 860 OG1 THR A 58 27.577 -3.797 13.323 1.00 0.00 O ATOM 861 CG2 THR A 58 29.150 -2.453 12.119 1.00 0.00 C ATOM 0 H THR A 58 25.623 -1.878 12.562 1.00 0.00 H new ATOM 0 HA THR A 58 27.129 -2.723 10.197 1.00 0.00 H new ATOM 0 HB THR A 58 28.388 -4.329 11.489 1.00 0.00 H new ATOM 0 HG1 THR A 58 28.339 -4.131 13.841 1.00 0.00 H new ATOM 0 HG21 THR A 58 29.964 -2.885 12.701 1.00 0.00 H new ATOM 0 HG22 THR A 58 29.508 -2.211 11.118 1.00 0.00 H new ATOM 0 HG23 THR A 58 28.796 -1.545 12.608 1.00 0.00 H new ATOM 869 N SER A 59 25.954 -5.100 10.484 1.00 0.00 N ATOM 870 CA SER A 59 25.087 -6.291 10.515 1.00 0.00 C ATOM 871 C SER A 59 24.977 -6.920 11.920 1.00 0.00 C ATOM 872 O SER A 59 23.962 -7.533 12.241 1.00 0.00 O ATOM 873 CB SER A 59 25.614 -7.348 9.527 1.00 0.00 C ATOM 874 OG SER A 59 25.764 -6.814 8.215 1.00 0.00 O ATOM 0 H SER A 59 26.756 -5.194 9.861 1.00 0.00 H new ATOM 0 HA SER A 59 24.089 -5.959 10.227 1.00 0.00 H new ATOM 0 HB2 SER A 59 26.574 -7.727 9.878 1.00 0.00 H new ATOM 0 HB3 SER A 59 24.928 -8.194 9.499 1.00 0.00 H new ATOM 0 HG SER A 59 26.102 -7.511 7.615 1.00 0.00 H new ATOM 880 N GLU A 60 25.993 -6.745 12.777 1.00 0.00 N ATOM 881 CA GLU A 60 25.975 -7.209 14.171 1.00 0.00 C ATOM 882 C GLU A 60 25.102 -6.308 15.055 1.00 0.00 C ATOM 883 O GLU A 60 24.327 -6.813 15.869 1.00 0.00 O ATOM 884 CB GLU A 60 27.406 -7.279 14.730 1.00 0.00 C ATOM 885 CG GLU A 60 28.279 -8.308 14.003 1.00 0.00 C ATOM 886 CD GLU A 60 29.666 -8.423 14.661 1.00 0.00 C ATOM 887 OE1 GLU A 60 30.596 -7.676 14.268 1.00 0.00 O ATOM 888 OE2 GLU A 60 29.837 -9.260 15.579 1.00 0.00 O ATOM 0 H GLU A 60 26.859 -6.272 12.519 1.00 0.00 H new ATOM 0 HA GLU A 60 25.539 -8.208 14.182 1.00 0.00 H new ATOM 0 HB2 GLU A 60 27.870 -6.296 14.652 1.00 0.00 H new ATOM 0 HB3 GLU A 60 27.365 -7.529 15.790 1.00 0.00 H new ATOM 0 HG2 GLU A 60 27.786 -9.280 14.014 1.00 0.00 H new ATOM 0 HG3 GLU A 60 28.392 -8.020 12.958 1.00 0.00 H new ATOM 895 N ILE A 61 25.159 -4.981 14.869 1.00 0.00 N ATOM 896 CA ILE A 61 24.271 -4.028 15.567 1.00 0.00 C ATOM 897 C ILE A 61 22.812 -4.291 15.183 1.00 0.00 C ATOM 898 O ILE A 61 21.945 -4.291 16.056 1.00 0.00 O ATOM 899 CB ILE A 61 24.731 -2.564 15.315 1.00 0.00 C ATOM 900 CG1 ILE A 61 26.063 -2.329 16.068 1.00 0.00 C ATOM 901 CG2 ILE A 61 23.681 -1.532 15.768 1.00 0.00 C ATOM 902 CD1 ILE A 61 26.807 -1.050 15.671 1.00 0.00 C ATOM 0 H ILE A 61 25.819 -4.535 14.232 1.00 0.00 H new ATOM 0 HA ILE A 61 24.339 -4.180 16.644 1.00 0.00 H new ATOM 0 HB ILE A 61 24.864 -2.428 14.242 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.859 -2.297 17.138 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.718 -3.183 15.894 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.051 -0.526 15.570 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.753 -1.692 15.219 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.495 -1.647 16.836 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.727 -0.970 16.250 1.00 0.00 H new ATOM 0 HD12 ILE A 61 27.048 -1.084 14.609 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.176 -0.185 15.872 1.00 0.00 H new ATOM 914 N LEU A 62 22.531 -4.589 13.910 1.00 0.00 N ATOM 915 CA LEU A 62 21.183 -4.958 13.464 1.00 0.00 C ATOM 916 C LEU A 62 20.726 -6.337 13.961 1.00 0.00 C ATOM 917 O LEU A 62 19.566 -6.483 14.354 1.00 0.00 O ATOM 918 CB LEU A 62 21.085 -4.831 11.933 1.00 0.00 C ATOM 919 CG LEU A 62 20.613 -3.452 11.429 1.00 0.00 C ATOM 920 CD1 LEU A 62 19.194 -3.138 11.924 1.00 0.00 C ATOM 921 CD2 LEU A 62 21.555 -2.302 11.816 1.00 0.00 C ATOM 0 H LEU A 62 23.227 -4.581 13.164 1.00 0.00 H new ATOM 0 HA LEU A 62 20.488 -4.254 13.922 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.063 -5.045 11.501 1.00 0.00 H new ATOM 0 HB3 LEU A 62 20.399 -5.592 11.562 1.00 0.00 H new ATOM 0 HG LEU A 62 20.619 -3.523 10.341 1.00 0.00 H new ATOM 0 HD11 LEU A 62 18.887 -2.160 11.553 1.00 0.00 H new ATOM 0 HD12 LEU A 62 18.504 -3.898 11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 62 19.182 -3.133 13.014 1.00 0.00 H new ATOM 0 HD21 LEU A 62 21.161 -1.363 11.429 1.00 0.00 H new ATOM 0 HD22 LEU A 62 21.631 -2.243 12.902 1.00 0.00 H new ATOM 0 HD23 LEU A 62 22.543 -2.483 11.393 1.00 0.00 H new ATOM 933 N ASN A 63 21.615 -7.334 14.016 1.00 0.00 N ATOM 934 CA ASN A 63 21.319 -8.628 14.652 1.00 0.00 C ATOM 935 C ASN A 63 20.931 -8.456 16.136 1.00 0.00 C ATOM 936 O ASN A 63 19.950 -9.039 16.600 1.00 0.00 O ATOM 937 CB ASN A 63 22.520 -9.572 14.478 1.00 0.00 C ATOM 938 CG ASN A 63 22.271 -10.933 15.130 1.00 0.00 C ATOM 939 OD1 ASN A 63 21.561 -11.778 14.599 1.00 0.00 O ATOM 940 ND2 ASN A 63 22.822 -11.168 16.309 1.00 0.00 N ATOM 0 H ASN A 63 22.555 -7.271 13.625 1.00 0.00 H new ATOM 0 HA ASN A 63 20.454 -9.073 14.160 1.00 0.00 H new ATOM 0 HB2 ASN A 63 22.724 -9.709 13.416 1.00 0.00 H new ATOM 0 HB3 ASN A 63 23.408 -9.116 14.916 1.00 0.00 H new ATOM 0 HD21 ASN A 63 22.657 -12.057 16.781 1.00 0.00 H new ATOM 0 HD22 ASN A 63 23.412 -10.460 16.746 1.00 0.00 H new ATOM 947 N SER A 64 21.647 -7.607 16.875 1.00 0.00 N ATOM 948 CA SER A 64 21.291 -7.246 18.253 1.00 0.00 C ATOM 949 C SER A 64 19.995 -6.422 18.345 1.00 0.00 C ATOM 950 O SER A 64 19.207 -6.647 19.264 1.00 0.00 O ATOM 951 CB SER A 64 22.444 -6.493 18.922 1.00 0.00 C ATOM 952 OG SER A 64 23.573 -7.346 19.089 1.00 0.00 O ATOM 0 H SER A 64 22.493 -7.148 16.536 1.00 0.00 H new ATOM 0 HA SER A 64 21.108 -8.181 18.782 1.00 0.00 H new ATOM 0 HB2 SER A 64 22.721 -5.630 18.317 1.00 0.00 H new ATOM 0 HB3 SER A 64 22.123 -6.113 19.892 1.00 0.00 H new ATOM 0 HG SER A 64 24.300 -6.847 19.516 1.00 0.00 H new ATOM 958 N PHE A 65 19.706 -5.530 17.387 1.00 0.00 N ATOM 959 CA PHE A 65 18.470 -4.738 17.381 1.00 0.00 C ATOM 960 C PHE A 65 17.203 -5.601 17.242 1.00 0.00 C ATOM 961 O PHE A 65 16.187 -5.302 17.868 1.00 0.00 O ATOM 962 CB PHE A 65 18.518 -3.671 16.285 1.00 0.00 C ATOM 963 CG PHE A 65 17.253 -2.839 16.229 1.00 0.00 C ATOM 964 CD1 PHE A 65 16.905 -2.017 17.321 1.00 0.00 C ATOM 965 CD2 PHE A 65 16.374 -2.958 15.137 1.00 0.00 C ATOM 966 CE1 PHE A 65 15.679 -1.329 17.322 1.00 0.00 C ATOM 967 CE2 PHE A 65 15.157 -2.252 15.132 1.00 0.00 C ATOM 968 CZ PHE A 65 14.811 -1.435 16.223 1.00 0.00 C ATOM 0 H PHE A 65 20.322 -5.338 16.597 1.00 0.00 H new ATOM 0 HA PHE A 65 18.409 -4.250 18.354 1.00 0.00 H new ATOM 0 HB2 PHE A 65 19.372 -3.016 16.457 1.00 0.00 H new ATOM 0 HB3 PHE A 65 18.675 -4.153 15.320 1.00 0.00 H new ATOM 0 HD1 PHE A 65 17.581 -1.916 18.157 1.00 0.00 H new ATOM 0 HD2 PHE A 65 16.634 -3.592 14.302 1.00 0.00 H new ATOM 0 HE1 PHE A 65 15.404 -0.718 18.169 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.487 -2.338 14.289 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.879 -0.890 16.216 1.00 0.00 H new ATOM 978 N GLU A 66 17.260 -6.707 16.488 1.00 0.00 N ATOM 979 CA GLU A 66 16.161 -7.682 16.447 1.00 0.00 C ATOM 980 C GLU A 66 15.873 -8.261 17.843 1.00 0.00 C ATOM 981 O GLU A 66 14.714 -8.340 18.252 1.00 0.00 O ATOM 982 CB GLU A 66 16.437 -8.816 15.447 1.00 0.00 C ATOM 983 CG GLU A 66 16.302 -8.363 13.990 1.00 0.00 C ATOM 984 CD GLU A 66 16.428 -9.552 13.027 1.00 0.00 C ATOM 985 OE1 GLU A 66 15.484 -10.374 12.951 1.00 0.00 O ATOM 986 OE2 GLU A 66 17.455 -9.665 12.318 1.00 0.00 O ATOM 0 H GLU A 66 18.056 -6.949 15.898 1.00 0.00 H new ATOM 0 HA GLU A 66 15.277 -7.143 16.107 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.442 -9.204 15.611 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.745 -9.637 15.634 1.00 0.00 H new ATOM 0 HG2 GLU A 66 15.338 -7.875 13.846 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.071 -7.624 13.763 1.00 0.00 H new ATOM 993 N HIS A 67 16.910 -8.586 18.621 1.00 0.00 N ATOM 994 CA HIS A 67 16.769 -9.044 20.010 1.00 0.00 C ATOM 995 C HIS A 67 16.350 -7.922 20.988 1.00 0.00 C ATOM 996 O HIS A 67 15.723 -8.190 22.014 1.00 0.00 O ATOM 997 CB HIS A 67 18.100 -9.677 20.440 1.00 0.00 C ATOM 998 CG HIS A 67 17.990 -10.467 21.725 1.00 0.00 C ATOM 999 ND1 HIS A 67 17.332 -11.665 21.888 1.00 0.00 N ATOM 1000 CD2 HIS A 67 18.513 -10.128 22.944 1.00 0.00 C ATOM 1001 CE1 HIS A 67 17.451 -12.033 23.177 1.00 0.00 C ATOM 1002 NE2 HIS A 67 18.171 -11.125 23.867 1.00 0.00 N ATOM 0 H HIS A 67 17.878 -8.539 18.304 1.00 0.00 H new ATOM 0 HA HIS A 67 15.961 -9.774 20.048 1.00 0.00 H new ATOM 0 HB2 HIS A 67 18.457 -10.333 19.646 1.00 0.00 H new ATOM 0 HB3 HIS A 67 18.846 -8.892 20.565 1.00 0.00 H new ATOM 0 HD2 HIS A 67 19.092 -9.242 23.158 1.00 0.00 H new ATOM 0 HE1 HIS A 67 17.028 -12.932 23.601 1.00 0.00 H new ATOM 0 HE2 HIS A 67 18.416 -11.157 24.857 1.00 0.00 H new ATOM 1010 N GLU A 68 16.692 -6.671 20.686 1.00 0.00 N ATOM 1011 CA GLU A 68 16.448 -5.501 21.536 1.00 0.00 C ATOM 1012 C GLU A 68 14.965 -5.097 21.613 1.00 0.00 C ATOM 1013 O GLU A 68 14.559 -4.494 22.610 1.00 0.00 O ATOM 1014 CB GLU A 68 17.323 -4.351 21.014 1.00 0.00 C ATOM 1015 CG GLU A 68 17.370 -3.101 21.890 1.00 0.00 C ATOM 1016 CD GLU A 68 17.818 -3.385 23.334 1.00 0.00 C ATOM 1017 OE1 GLU A 68 18.866 -4.042 23.543 1.00 0.00 O ATOM 1018 OE2 GLU A 68 17.134 -2.935 24.288 1.00 0.00 O ATOM 0 H GLU A 68 17.163 -6.433 19.813 1.00 0.00 H new ATOM 0 HA GLU A 68 16.717 -5.753 22.562 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.340 -4.722 20.888 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.963 -4.066 20.025 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.051 -2.377 21.442 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.382 -2.641 21.908 1.00 0.00 H new ATOM 1025 N PHE A 69 14.135 -5.442 20.615 1.00 0.00 N ATOM 1026 CA PHE A 69 12.721 -5.039 20.564 1.00 0.00 C ATOM 1027 C PHE A 69 11.793 -5.982 19.771 1.00 0.00 C ATOM 1028 O PHE A 69 10.642 -6.167 20.177 1.00 0.00 O ATOM 1029 CB PHE A 69 12.639 -3.585 20.038 1.00 0.00 C ATOM 1030 CG PHE A 69 11.235 -3.010 19.957 1.00 0.00 C ATOM 1031 CD1 PHE A 69 10.508 -2.745 21.133 1.00 0.00 C ATOM 1032 CD2 PHE A 69 10.642 -2.743 18.705 1.00 0.00 C ATOM 1033 CE1 PHE A 69 9.201 -2.230 21.063 1.00 0.00 C ATOM 1034 CE2 PHE A 69 9.332 -2.226 18.632 1.00 0.00 C ATOM 1035 CZ PHE A 69 8.617 -1.965 19.811 1.00 0.00 C ATOM 0 H PHE A 69 14.427 -6.010 19.819 1.00 0.00 H new ATOM 0 HA PHE A 69 12.340 -5.106 21.583 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.240 -2.946 20.685 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.089 -3.548 19.046 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.957 -2.939 22.096 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.194 -2.936 17.797 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.646 -2.038 21.970 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.880 -2.031 17.671 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.617 -1.560 19.757 1.00 0.00 H new ATOM 1045 N LEU A 70 12.251 -6.587 18.665 1.00 0.00 N ATOM 1046 CA LEU A 70 11.376 -7.295 17.722 1.00 0.00 C ATOM 1047 C LEU A 70 11.100 -8.749 18.147 1.00 0.00 C ATOM 1048 O LEU A 70 9.936 -9.141 18.285 1.00 0.00 O ATOM 1049 CB LEU A 70 11.974 -7.213 16.294 1.00 0.00 C ATOM 1050 CG LEU A 70 11.897 -5.848 15.569 1.00 0.00 C ATOM 1051 CD1 LEU A 70 10.486 -5.244 15.620 1.00 0.00 C ATOM 1052 CD2 LEU A 70 12.935 -4.836 16.070 1.00 0.00 C ATOM 0 H LEU A 70 13.236 -6.599 18.401 1.00 0.00 H new ATOM 0 HA LEU A 70 10.405 -6.800 17.725 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.022 -7.506 16.350 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.469 -7.953 15.674 1.00 0.00 H new ATOM 0 HG LEU A 70 12.139 -6.063 14.528 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.481 -4.287 15.098 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.782 -5.923 15.139 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.192 -5.093 16.659 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.826 -3.901 15.520 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.780 -4.652 17.133 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.937 -5.235 15.913 1.00 0.00 H new ATOM 1064 N SER A 71 12.131 -9.556 18.395 1.00 0.00 N ATOM 1065 CA SER A 71 11.986 -10.968 18.796 1.00 0.00 C ATOM 1066 C SER A 71 11.606 -11.161 20.280 1.00 0.00 C ATOM 1067 O SER A 71 11.294 -12.277 20.703 1.00 0.00 O ATOM 1068 CB SER A 71 13.227 -11.788 18.406 1.00 0.00 C ATOM 1069 OG SER A 71 14.384 -11.446 19.157 1.00 0.00 O ATOM 0 H SER A 71 13.102 -9.252 18.325 1.00 0.00 H new ATOM 0 HA SER A 71 11.136 -11.354 18.234 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.012 -12.848 18.544 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.433 -11.640 17.346 1.00 0.00 H new ATOM 0 HG SER A 71 15.138 -12.000 18.866 1.00 0.00 H new ATOM 1075 N LYS A 72 11.500 -10.071 21.051 1.00 0.00 N ATOM 1076 CA LYS A 72 10.811 -10.030 22.358 1.00 0.00 C ATOM 1077 C LYS A 72 9.295 -10.309 22.260 1.00 0.00 C ATOM 1078 O LYS A 72 8.638 -10.457 23.294 1.00 0.00 O ATOM 1079 CB LYS A 72 11.076 -8.667 23.030 1.00 0.00 C ATOM 1080 CG LYS A 72 12.534 -8.508 23.494 1.00 0.00 C ATOM 1081 CD LYS A 72 12.743 -7.153 24.178 1.00 0.00 C ATOM 1082 CE LYS A 72 14.163 -7.054 24.740 1.00 0.00 C ATOM 1083 NZ LYS A 72 14.457 -5.682 25.237 1.00 0.00 N ATOM 0 H LYS A 72 11.898 -9.171 20.782 1.00 0.00 H new ATOM 0 HA LYS A 72 11.221 -10.835 22.968 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.833 -7.868 22.330 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.412 -8.554 23.887 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.790 -9.312 24.184 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.204 -8.596 22.639 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.570 -6.347 23.464 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.017 -7.028 24.982 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.285 -7.771 25.552 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.882 -7.324 23.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.347 -5.691 25.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.548 -5.032 24.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.682 -5.363 25.853 1.00 0.00 H new ATOM 1097 N ARG A 73 8.755 -10.365 21.027 1.00 0.00 N ATOM 1098 CA ARG A 73 7.388 -10.723 20.599 1.00 0.00 C ATOM 1099 C ARG A 73 6.507 -9.468 20.513 1.00 0.00 C ATOM 1100 O ARG A 73 5.620 -9.253 21.341 1.00 0.00 O ATOM 1101 CB ARG A 73 6.738 -11.861 21.421 1.00 0.00 C ATOM 1102 CG ARG A 73 7.538 -13.174 21.373 1.00 0.00 C ATOM 1103 CD ARG A 73 6.845 -14.328 22.116 1.00 0.00 C ATOM 1104 NE ARG A 73 5.666 -14.834 21.389 1.00 0.00 N ATOM 1105 CZ ARG A 73 4.384 -14.603 21.652 1.00 0.00 C ATOM 1106 NH1 ARG A 73 3.990 -13.843 22.651 1.00 0.00 N ATOM 1107 NH2 ARG A 73 3.462 -15.156 20.896 1.00 0.00 N ATOM 0 H ARG A 73 9.330 -10.135 20.217 1.00 0.00 H new ATOM 0 HA ARG A 73 7.477 -11.147 19.599 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.639 -11.541 22.458 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.731 -12.042 21.046 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.693 -13.460 20.333 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.523 -13.009 21.809 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.556 -15.142 22.262 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.541 -13.989 23.106 1.00 0.00 H new ATOM 0 HE ARG A 73 5.858 -15.434 20.587 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.680 -13.404 23.261 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.995 -13.693 22.816 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.734 -15.755 20.117 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.475 -14.986 21.089 1.00 0.00 H new ATOM 1121 N LEU A 74 6.775 -8.628 19.505 1.00 0.00 N ATOM 1122 CA LEU A 74 6.026 -7.404 19.211 1.00 0.00 C ATOM 1123 C LEU A 74 4.550 -7.713 18.905 1.00 0.00 C ATOM 1124 O LEU A 74 4.248 -8.494 18.000 1.00 0.00 O ATOM 1125 CB LEU A 74 6.735 -6.669 18.053 1.00 0.00 C ATOM 1126 CG LEU A 74 5.996 -5.430 17.506 1.00 0.00 C ATOM 1127 CD1 LEU A 74 5.756 -4.358 18.582 1.00 0.00 C ATOM 1128 CD2 LEU A 74 6.786 -4.804 16.349 1.00 0.00 C ATOM 0 H LEU A 74 7.543 -8.788 18.853 1.00 0.00 H new ATOM 0 HA LEU A 74 6.013 -6.751 20.083 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.724 -6.361 18.392 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.883 -7.373 17.235 1.00 0.00 H new ATOM 0 HG LEU A 74 5.024 -5.780 17.158 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.233 -3.510 18.140 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.152 -4.778 19.386 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.713 -4.025 18.983 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.252 -3.931 15.974 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.772 -4.502 16.703 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.897 -5.534 15.547 1.00 0.00 H new ATOM 1140 N SER A 75 3.628 -7.070 19.619 1.00 0.00 N ATOM 1141 CA SER A 75 2.179 -7.338 19.580 1.00 0.00 C ATOM 1142 C SER A 75 1.505 -7.106 18.213 1.00 0.00 C ATOM 1143 O SER A 75 0.393 -7.577 17.971 1.00 0.00 O ATOM 1144 CB SER A 75 1.478 -6.475 20.636 1.00 0.00 C ATOM 1145 OG SER A 75 2.099 -6.602 21.910 1.00 0.00 O ATOM 0 H SER A 75 3.871 -6.320 20.266 1.00 0.00 H new ATOM 0 HA SER A 75 2.073 -8.403 19.784 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.496 -5.431 20.324 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.431 -6.768 20.710 1.00 0.00 H new ATOM 0 HG SER A 75 1.630 -6.038 22.560 1.00 0.00 H new ATOM 1151 N LYS A 76 2.177 -6.404 17.301 1.00 0.00 N ATOM 1152 CA LYS A 76 1.737 -6.198 15.911 1.00 0.00 C ATOM 1153 C LYS A 76 1.832 -7.477 15.048 1.00 0.00 C ATOM 1154 O LYS A 76 1.114 -7.594 14.052 1.00 0.00 O ATOM 1155 CB LYS A 76 2.566 -5.037 15.320 1.00 0.00 C ATOM 1156 CG LYS A 76 2.044 -4.463 13.985 1.00 0.00 C ATOM 1157 CD LYS A 76 0.640 -3.841 14.095 1.00 0.00 C ATOM 1158 CE LYS A 76 0.260 -3.184 12.762 1.00 0.00 C ATOM 1159 NZ LYS A 76 -1.093 -2.571 12.814 1.00 0.00 N ATOM 0 H LYS A 76 3.066 -5.949 17.508 1.00 0.00 H new ATOM 0 HA LYS A 76 0.677 -5.944 15.907 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.604 -4.231 16.052 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.589 -5.382 15.172 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.742 -3.706 13.626 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.024 -5.258 13.239 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.089 -4.609 14.354 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.621 -3.101 14.895 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.996 -2.420 12.511 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.291 -3.930 11.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.313 -2.137 11.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.798 -3.304 13.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.115 -1.842 13.555 1.00 0.00 H new ATOM 1173 N ALA A 77 2.686 -8.436 15.430 1.00 0.00 N ATOM 1174 CA ALA A 77 2.953 -9.673 14.681 1.00 0.00 C ATOM 1175 C ALA A 77 2.978 -10.961 15.532 1.00 0.00 C ATOM 1176 O ALA A 77 3.075 -12.055 14.968 1.00 0.00 O ATOM 1177 CB ALA A 77 4.282 -9.474 13.939 1.00 0.00 C ATOM 0 H ALA A 77 3.226 -8.372 16.293 1.00 0.00 H new ATOM 0 HA ALA A 77 2.121 -9.835 13.996 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.518 -10.372 13.369 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.196 -8.625 13.260 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.076 -9.283 14.660 1.00 0.00 H new ATOM 1183 N ARG A 78 2.943 -10.866 16.868 1.00 0.00 N ATOM 1184 CA ARG A 78 2.914 -12.005 17.807 1.00 0.00 C ATOM 1185 C ARG A 78 1.773 -11.888 18.822 1.00 0.00 C ATOM 1186 O ARG A 78 1.038 -12.887 19.000 1.00 0.00 O ATOM 1187 CB ARG A 78 4.264 -12.150 18.539 1.00 0.00 C ATOM 1188 CG ARG A 78 5.393 -12.756 17.683 1.00 0.00 C ATOM 1189 CD ARG A 78 6.139 -11.738 16.810 1.00 0.00 C ATOM 1190 NE ARG A 78 7.122 -12.395 15.931 1.00 0.00 N ATOM 1191 CZ ARG A 78 6.901 -12.930 14.742 1.00 0.00 C ATOM 1192 NH1 ARG A 78 5.716 -12.998 14.202 1.00 0.00 N ATOM 1193 NH2 ARG A 78 7.889 -13.416 14.056 1.00 0.00 N ATOM 1194 OXT ARG A 78 1.626 -10.815 19.450 1.00 0.00 O ATOM 0 H ARG A 78 2.934 -9.965 17.345 1.00 0.00 H new ATOM 0 HA ARG A 78 2.736 -12.900 17.212 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.579 -11.168 18.891 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.119 -12.774 19.421 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.110 -13.246 18.342 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.971 -13.528 17.040 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.423 -11.183 16.205 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.647 -11.014 17.447 1.00 0.00 H new ATOM 0 HE ARG A 78 8.080 -12.443 16.278 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.906 -12.628 14.700 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.599 -13.421 13.281 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.836 -13.385 14.434 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.719 -13.829 13.139 1.00 0.00 H new TER 1208 ARG A 78