USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 GLN : amide:sc= -0.0978 X(o=-0.057,f=-0.056) USER MOD Set 1.2: A 26 LYS NZ :NH3+ 177:sc= 0.0403 (180deg=0) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 61:sc= 0.0768 USER MOD Single : A 8 SER OG : rot 47:sc= 0.0879 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 28 THR OG1 : rot -57:sc= 0.941 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0.0904 K(o=0.09,f=-2.8!) USER MOD Single : A 41 MET CE :methyl -107:sc= -3.86! (180deg=-8.66!) USER MOD Single : A 43 LYS NZ :NH3+ -122:sc= 0 (180deg=-1.01) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -16.369 3.431 7.987 1.00 0.00 N ATOM 2 CA ARG A 1 -14.952 3.802 7.772 1.00 0.00 C ATOM 3 C ARG A 1 -14.643 3.962 6.255 1.00 0.00 C ATOM 4 O ARG A 1 -14.414 5.091 5.816 1.00 0.00 O ATOM 5 CB ARG A 1 -14.009 2.822 8.530 1.00 0.00 C ATOM 6 CG ARG A 1 -12.510 3.204 8.465 1.00 0.00 C ATOM 7 CD ARG A 1 -11.555 2.072 8.885 1.00 0.00 C ATOM 8 NE ARG A 1 -10.159 2.424 8.516 1.00 0.00 N ATOM 9 CZ ARG A 1 -9.217 1.549 8.111 1.00 0.00 C ATOM 10 NH1 ARG A 1 -9.403 0.233 8.035 1.00 0.00 N ATOM 11 NH2 ARG A 1 -8.037 2.028 7.765 1.00 0.00 N ATOM 0 H1 ARG A 1 -16.551 3.330 9.006 1.00 0.00 H new ATOM 0 H2 ARG A 1 -16.985 4.173 7.597 1.00 0.00 H new ATOM 0 H3 ARG A 1 -16.568 2.529 7.509 1.00 0.00 H new ATOM 0 HA ARG A 1 -14.759 4.784 8.205 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -14.316 2.776 9.575 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -14.135 1.821 8.117 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -12.268 3.511 7.447 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -12.338 4.067 9.108 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -11.625 1.905 9.960 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -11.845 1.141 8.399 1.00 0.00 H new ATOM 0 HE ARG A 1 -9.892 3.407 8.574 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -10.304 -0.170 8.292 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -8.645 -0.372 7.719 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -7.861 3.032 7.809 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -7.301 1.394 7.454 1.00 0.00 H new ATOM 24 N ARG A 2 -14.623 2.855 5.477 1.00 0.00 N ATOM 25 CA ARG A 2 -14.242 2.846 4.032 1.00 0.00 C ATOM 26 C ARG A 2 -14.877 3.871 3.042 1.00 0.00 C ATOM 27 O ARG A 2 -14.191 4.262 2.092 1.00 0.00 O ATOM 28 CB ARG A 2 -14.279 1.398 3.477 1.00 0.00 C ATOM 29 CG ARG A 2 -15.650 0.672 3.440 1.00 0.00 C ATOM 30 CD ARG A 2 -15.595 -0.768 2.886 1.00 0.00 C ATOM 31 NE ARG A 2 -14.860 -1.698 3.782 1.00 0.00 N ATOM 32 CZ ARG A 2 -14.362 -2.894 3.412 1.00 0.00 C ATOM 33 NH1 ARG A 2 -14.482 -3.405 2.189 1.00 0.00 N ATOM 34 NH2 ARG A 2 -13.713 -3.603 4.318 1.00 0.00 N ATOM 0 H ARG A 2 -14.872 1.931 5.831 1.00 0.00 H new ATOM 0 HA ARG A 2 -13.229 3.246 4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -13.883 1.418 2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -13.596 0.793 4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -16.060 0.644 4.450 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -16.340 1.256 2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -16.611 -1.136 2.741 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -15.116 -0.758 1.907 1.00 0.00 H new ATOM 0 HE ARG A 2 -14.722 -1.409 4.750 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.976 -2.884 1.465 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.080 -4.318 1.976 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.601 -3.241 5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.324 -4.513 4.071 1.00 0.00 H new ATOM 47 N ARG A 3 -16.137 4.306 3.250 1.00 0.00 N ATOM 48 CA ARG A 3 -16.794 5.339 2.395 1.00 0.00 C ATOM 49 C ARG A 3 -16.491 6.795 2.892 1.00 0.00 C ATOM 50 O ARG A 3 -17.387 7.544 3.295 1.00 0.00 O ATOM 51 CB ARG A 3 -18.301 4.987 2.217 1.00 0.00 C ATOM 52 CG ARG A 3 -19.187 4.914 3.488 1.00 0.00 C ATOM 53 CD ARG A 3 -20.631 4.466 3.182 1.00 0.00 C ATOM 54 NE ARG A 3 -21.489 4.444 4.395 1.00 0.00 N ATOM 55 CZ ARG A 3 -21.620 3.398 5.237 1.00 0.00 C ATOM 56 NH1 ARG A 3 -20.980 2.239 5.092 1.00 0.00 N ATOM 57 NH2 ARG A 3 -22.432 3.532 6.270 1.00 0.00 N ATOM 0 H ARG A 3 -16.730 3.961 4.005 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.363 5.325 1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.739 5.726 1.546 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.361 4.023 1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -18.739 4.220 4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -19.208 5.893 3.968 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -21.068 5.139 2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -20.613 3.472 2.736 1.00 0.00 H new ATOM 0 HE ARG A 3 -22.022 5.287 4.608 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -20.344 2.102 4.306 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -21.125 1.488 5.767 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -22.937 4.407 6.412 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -22.554 2.761 6.926 1.00 0.00 H new ATOM 70 N LYS A 4 -15.200 7.183 2.840 1.00 0.00 N ATOM 71 CA LYS A 4 -14.694 8.513 3.292 1.00 0.00 C ATOM 72 C LYS A 4 -13.506 8.994 2.400 1.00 0.00 C ATOM 73 O LYS A 4 -13.536 10.130 1.922 1.00 0.00 O ATOM 74 CB LYS A 4 -14.278 8.528 4.795 1.00 0.00 C ATOM 75 CG LYS A 4 -15.411 8.358 5.834 1.00 0.00 C ATOM 76 CD LYS A 4 -14.937 8.302 7.302 1.00 0.00 C ATOM 77 CE LYS A 4 -14.420 9.641 7.864 1.00 0.00 C ATOM 78 NZ LYS A 4 -14.011 9.513 9.274 1.00 0.00 N ATOM 0 H LYS A 4 -14.462 6.578 2.479 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.528 9.207 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.549 7.733 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -13.770 9.471 4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.113 9.185 5.724 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.958 7.443 5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.764 7.958 7.923 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.144 7.558 7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.574 9.984 7.268 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.199 10.398 7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.668 10.432 9.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.825 9.209 9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.250 8.808 9.352 1.00 0.00 H new ATOM 91 N LYS A 5 -12.467 8.147 2.223 1.00 0.00 N ATOM 92 CA LYS A 5 -11.241 8.414 1.425 1.00 0.00 C ATOM 93 C LYS A 5 -10.309 9.512 2.025 1.00 0.00 C ATOM 94 O LYS A 5 -10.680 10.688 2.095 1.00 0.00 O ATOM 95 CB LYS A 5 -11.419 8.468 -0.121 1.00 0.00 C ATOM 96 CG LYS A 5 -12.012 9.735 -0.779 1.00 0.00 C ATOM 97 CD LYS A 5 -11.816 9.751 -2.308 1.00 0.00 C ATOM 98 CE LYS A 5 -12.379 11.022 -2.968 1.00 0.00 C ATOM 99 NZ LYS A 5 -12.095 11.048 -4.414 1.00 0.00 N ATOM 0 H LYS A 5 -12.456 7.220 2.648 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.676 7.489 1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.440 8.297 -0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.051 7.627 -0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.076 9.795 -0.551 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.543 10.619 -0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.753 9.670 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.302 8.877 -2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.456 11.071 -2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.945 11.903 -2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.487 11.917 -4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.066 11.025 -4.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.531 10.220 -4.868 1.00 0.00 H new ATOM 112 N ARG A 6 -9.099 9.105 2.452 1.00 0.00 N ATOM 113 CA ARG A 6 -8.077 10.018 3.032 1.00 0.00 C ATOM 114 C ARG A 6 -6.664 9.558 2.594 1.00 0.00 C ATOM 115 O ARG A 6 -6.383 8.379 2.360 1.00 0.00 O ATOM 116 CB ARG A 6 -8.234 10.090 4.577 1.00 0.00 C ATOM 117 CG ARG A 6 -7.330 11.061 5.384 1.00 0.00 C ATOM 118 CD ARG A 6 -7.418 12.560 5.020 1.00 0.00 C ATOM 119 NE ARG A 6 -8.760 13.140 5.282 1.00 0.00 N ATOM 120 CZ ARG A 6 -9.156 14.366 4.892 1.00 0.00 C ATOM 121 NH1 ARG A 6 -8.381 15.223 4.230 1.00 0.00 N ATOM 122 NH2 ARG A 6 -10.388 14.742 5.184 1.00 0.00 N ATOM 0 H ARG A 6 -8.795 8.132 2.407 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.223 11.030 2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -9.270 10.353 4.790 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.072 9.087 4.971 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.574 10.953 6.441 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.295 10.742 5.262 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.671 13.112 5.591 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.172 12.688 3.966 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.431 12.568 5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.424 14.964 3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.744 16.138 3.964 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.008 14.110 5.691 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.720 15.665 4.903 1.00 0.00 H new ATOM 135 N THR A 7 -5.761 10.542 2.550 1.00 0.00 N ATOM 136 CA THR A 7 -4.330 10.319 2.168 1.00 0.00 C ATOM 137 C THR A 7 -3.436 10.022 3.419 1.00 0.00 C ATOM 138 O THR A 7 -2.375 10.630 3.602 1.00 0.00 O ATOM 139 CB THR A 7 -3.786 11.506 1.307 1.00 0.00 C ATOM 140 OG1 THR A 7 -3.737 12.710 2.069 1.00 0.00 O ATOM 141 CG2 THR A 7 -4.548 11.805 0.006 1.00 0.00 C ATOM 0 H THR A 7 -5.981 11.513 2.773 1.00 0.00 H new ATOM 0 HA THR A 7 -4.284 9.427 1.543 1.00 0.00 H new ATOM 0 HB THR A 7 -2.794 11.163 1.014 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.133 12.590 2.831 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.080 12.646 -0.505 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.522 10.928 -0.641 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.583 12.053 0.240 1.00 0.00 H new ATOM 149 N SER A 8 -3.850 9.046 4.255 1.00 0.00 N ATOM 150 CA SER A 8 -3.143 8.724 5.520 1.00 0.00 C ATOM 151 C SER A 8 -2.014 7.675 5.366 1.00 0.00 C ATOM 152 O SER A 8 -2.190 6.457 5.447 1.00 0.00 O ATOM 153 CB SER A 8 -4.120 8.356 6.637 1.00 0.00 C ATOM 154 OG SER A 8 -4.933 7.228 6.322 1.00 0.00 O ATOM 0 H SER A 8 -4.670 8.465 4.079 1.00 0.00 H new ATOM 0 HA SER A 8 -2.636 9.644 5.810 1.00 0.00 H new ATOM 0 HB2 SER A 8 -3.559 8.148 7.548 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.762 9.212 6.846 1.00 0.00 H new ATOM 0 HG SER A 8 -4.372 6.512 5.958 1.00 0.00 H new ATOM 160 N ILE A 9 -0.834 8.259 5.191 1.00 0.00 N ATOM 161 CA ILE A 9 0.464 7.557 5.041 1.00 0.00 C ATOM 162 C ILE A 9 1.142 7.743 6.433 1.00 0.00 C ATOM 163 O ILE A 9 1.918 8.681 6.645 1.00 0.00 O ATOM 164 CB ILE A 9 1.209 8.214 3.810 1.00 0.00 C ATOM 165 CG1 ILE A 9 0.455 7.860 2.503 1.00 0.00 C ATOM 166 CG2 ILE A 9 2.700 7.849 3.638 1.00 0.00 C ATOM 167 CD1 ILE A 9 0.930 8.465 1.172 1.00 0.00 C ATOM 0 H ILE A 9 -0.737 9.273 5.146 1.00 0.00 H new ATOM 0 HA ILE A 9 0.432 6.492 4.813 1.00 0.00 H new ATOM 0 HB ILE A 9 1.200 9.283 4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.477 6.775 2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.588 8.146 2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.101 8.359 2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.255 8.159 4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.798 6.771 3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.291 8.112 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.878 9.552 1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.959 8.161 0.981 1.00 0.00 H new ATOM 179 N GLU A 10 0.798 6.856 7.389 1.00 0.00 N ATOM 180 CA GLU A 10 1.351 6.889 8.764 1.00 0.00 C ATOM 181 C GLU A 10 1.500 5.399 9.172 1.00 0.00 C ATOM 182 O GLU A 10 2.371 4.732 8.604 1.00 0.00 O ATOM 183 CB GLU A 10 0.510 7.853 9.663 1.00 0.00 C ATOM 184 CG GLU A 10 1.117 8.197 11.042 1.00 0.00 C ATOM 185 CD GLU A 10 2.410 9.019 10.978 1.00 0.00 C ATOM 186 OE1 GLU A 10 3.532 8.525 11.089 1.00 0.00 O ATOM 187 OE2 GLU A 10 2.168 10.354 10.776 1.00 0.00 O ATOM 0 H GLU A 10 0.132 6.099 7.234 1.00 0.00 H new ATOM 0 HA GLU A 10 2.340 7.333 8.873 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.352 8.782 9.116 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.471 7.406 9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.378 8.749 11.623 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.317 7.270 11.579 1.00 0.00 H new ATOM 195 N THR A 11 0.770 4.886 10.186 1.00 0.00 N ATOM 196 CA THR A 11 0.803 3.443 10.555 1.00 0.00 C ATOM 197 C THR A 11 -0.266 2.605 9.806 1.00 0.00 C ATOM 198 O THR A 11 0.034 2.089 8.734 1.00 0.00 O ATOM 199 CB THR A 11 0.954 3.183 12.088 1.00 0.00 C ATOM 200 OG1 THR A 11 1.933 4.049 12.657 1.00 0.00 O ATOM 201 CG2 THR A 11 1.364 1.741 12.442 1.00 0.00 C ATOM 0 H THR A 11 0.148 5.446 10.768 1.00 0.00 H new ATOM 0 HA THR A 11 1.742 3.043 10.172 1.00 0.00 H new ATOM 0 HB THR A 11 -0.039 3.371 12.497 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.010 3.870 13.617 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.448 1.642 13.524 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.610 1.047 12.071 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.325 1.512 11.981 1.00 0.00 H new ATOM 209 N ASN A 12 -1.491 2.489 10.355 1.00 0.00 N ATOM 210 CA ASN A 12 -2.524 1.500 9.912 1.00 0.00 C ATOM 211 C ASN A 12 -2.945 1.372 8.420 1.00 0.00 C ATOM 212 O ASN A 12 -3.249 0.235 8.039 1.00 0.00 O ATOM 213 CB ASN A 12 -3.726 1.546 10.891 1.00 0.00 C ATOM 214 CG ASN A 12 -4.605 2.817 10.868 1.00 0.00 C ATOM 215 OD1 ASN A 12 -4.226 3.866 11.388 1.00 0.00 O ATOM 216 ND2 ASN A 12 -5.788 2.751 10.278 1.00 0.00 N ATOM 0 H ASN A 12 -1.805 3.079 11.126 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.974 0.560 9.962 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -4.366 0.689 10.682 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.343 1.418 11.903 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -6.392 3.573 10.252 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -6.096 1.878 9.849 1.00 0.00 H new ATOM 223 N ILE A 13 -2.973 2.431 7.564 1.00 0.00 N ATOM 224 CA ILE A 13 -3.011 2.177 6.084 1.00 0.00 C ATOM 225 C ILE A 13 -1.600 1.624 5.703 1.00 0.00 C ATOM 226 O ILE A 13 -1.542 0.513 5.189 1.00 0.00 O ATOM 227 CB ILE A 13 -3.518 3.218 5.018 1.00 0.00 C ATOM 228 CG1 ILE A 13 -4.969 3.696 5.228 1.00 0.00 C ATOM 229 CG2 ILE A 13 -3.046 2.794 3.595 1.00 0.00 C ATOM 230 CD1 ILE A 13 -5.414 4.480 3.997 1.00 0.00 C ATOM 0 H ILE A 13 -2.971 3.412 7.842 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.865 1.506 5.994 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.030 4.181 5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.627 2.842 5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.035 4.322 6.118 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.401 3.519 2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.957 2.755 3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.450 1.810 3.356 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.439 4.823 4.135 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.759 5.340 3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.361 3.838 3.118 1.00 0.00 H new ATOM 242 N ARG A 14 -0.526 2.405 5.888 1.00 0.00 N ATOM 243 CA ARG A 14 0.830 2.053 5.405 1.00 0.00 C ATOM 244 C ARG A 14 1.419 0.651 5.695 1.00 0.00 C ATOM 245 O ARG A 14 2.144 0.141 4.853 1.00 0.00 O ATOM 246 CB ARG A 14 1.799 3.126 5.966 1.00 0.00 C ATOM 247 CG ARG A 14 2.729 3.626 4.860 1.00 0.00 C ATOM 248 CD ARG A 14 3.444 4.934 5.198 1.00 0.00 C ATOM 249 NE ARG A 14 4.513 4.750 6.213 1.00 0.00 N ATOM 250 CZ ARG A 14 5.100 5.742 6.908 1.00 0.00 C ATOM 251 NH1 ARG A 14 4.808 7.031 6.761 1.00 0.00 N ATOM 252 NH2 ARG A 14 6.023 5.415 7.793 1.00 0.00 N ATOM 0 H ARG A 14 -0.566 3.300 6.376 1.00 0.00 H new ATOM 0 HA ARG A 14 0.718 2.024 4.321 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.231 3.960 6.378 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.386 2.705 6.783 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.475 2.859 4.651 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.150 3.765 3.947 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.877 5.353 4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.717 5.657 5.567 1.00 0.00 H new ATOM 0 HE ARG A 14 4.827 3.797 6.398 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.099 7.320 6.087 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.293 7.731 7.322 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.271 4.436 7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.488 6.142 8.337 1.00 0.00 H new ATOM 265 N VAL A 15 1.098 0.095 6.866 1.00 0.00 N ATOM 266 CA VAL A 15 1.354 -1.333 7.251 1.00 0.00 C ATOM 267 C VAL A 15 0.607 -2.303 6.299 1.00 0.00 C ATOM 268 O VAL A 15 1.228 -3.151 5.665 1.00 0.00 O ATOM 269 CB VAL A 15 0.998 -1.720 8.738 1.00 0.00 C ATOM 270 CG1 VAL A 15 2.224 -1.769 9.639 1.00 0.00 C ATOM 271 CG2 VAL A 15 -0.123 -0.985 9.436 1.00 0.00 C ATOM 0 H VAL A 15 0.639 0.624 7.607 1.00 0.00 H new ATOM 0 HA VAL A 15 2.436 -1.432 7.162 1.00 0.00 H new ATOM 0 HB VAL A 15 0.586 -2.717 8.580 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.922 -2.040 10.651 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.926 -2.512 9.259 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.704 -0.791 9.654 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.237 -1.372 10.449 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.110 0.079 9.478 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.052 -1.131 8.885 1.00 0.00 H new ATOM 281 N ALA A 16 -0.722 -2.138 6.235 1.00 0.00 N ATOM 282 CA ALA A 16 -1.613 -2.833 5.276 1.00 0.00 C ATOM 283 C ALA A 16 -1.250 -2.629 3.773 1.00 0.00 C ATOM 284 O ALA A 16 -1.505 -3.561 3.013 1.00 0.00 O ATOM 285 CB ALA A 16 -3.067 -2.427 5.567 1.00 0.00 C ATOM 0 H ALA A 16 -1.224 -1.506 6.858 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.475 -3.903 5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.733 -2.932 4.867 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.327 -2.712 6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.173 -1.348 5.454 1.00 0.00 H new ATOM 291 N LEU A 17 -0.686 -1.465 3.349 1.00 0.00 N ATOM 292 CA LEU A 17 -0.143 -1.258 1.975 1.00 0.00 C ATOM 293 C LEU A 17 1.249 -1.941 1.766 1.00 0.00 C ATOM 294 O LEU A 17 1.484 -2.551 0.722 1.00 0.00 O ATOM 295 CB LEU A 17 -0.222 0.235 1.537 1.00 0.00 C ATOM 296 CG LEU A 17 -1.606 0.670 0.984 1.00 0.00 C ATOM 297 CD1 LEU A 17 -1.906 2.139 0.642 1.00 0.00 C ATOM 298 CD2 LEU A 17 -2.131 -0.139 -0.219 1.00 0.00 C ATOM 0 H LEU A 17 -0.595 -0.645 3.948 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.796 -1.785 1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.029 0.865 2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.534 0.417 0.773 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.121 0.452 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.928 2.225 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.791 2.752 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.212 2.483 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.103 0.250 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.430 -0.052 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.231 -1.187 0.063 1.00 0.00 H new ATOM 310 N GLU A 18 2.158 -1.858 2.752 1.00 0.00 N ATOM 311 CA GLU A 18 3.444 -2.626 2.810 1.00 0.00 C ATOM 312 C GLU A 18 3.245 -4.168 2.732 1.00 0.00 C ATOM 313 O GLU A 18 3.969 -4.855 2.017 1.00 0.00 O ATOM 314 CB GLU A 18 4.218 -2.060 4.051 1.00 0.00 C ATOM 315 CG GLU A 18 5.191 -2.917 4.892 1.00 0.00 C ATOM 316 CD GLU A 18 4.934 -2.889 6.405 1.00 0.00 C ATOM 317 OE1 GLU A 18 5.472 -2.089 7.169 1.00 0.00 O ATOM 318 OE2 GLU A 18 4.028 -3.843 6.794 1.00 0.00 O ATOM 0 H GLU A 18 2.030 -1.245 3.557 1.00 0.00 H new ATOM 0 HA GLU A 18 4.064 -2.478 1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.788 -1.201 3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.464 -1.680 4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.134 -3.950 4.547 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.209 -2.575 4.705 1.00 0.00 H new ATOM 326 N LYS A 19 2.264 -4.696 3.458 1.00 0.00 N ATOM 327 CA LYS A 19 1.887 -6.132 3.473 1.00 0.00 C ATOM 328 C LYS A 19 1.034 -6.631 2.253 1.00 0.00 C ATOM 329 O LYS A 19 1.129 -7.799 1.867 1.00 0.00 O ATOM 330 CB LYS A 19 1.271 -6.221 4.904 1.00 0.00 C ATOM 331 CG LYS A 19 0.856 -7.543 5.559 1.00 0.00 C ATOM 332 CD LYS A 19 0.323 -7.247 6.991 1.00 0.00 C ATOM 333 CE LYS A 19 -0.098 -8.525 7.738 1.00 0.00 C ATOM 334 NZ LYS A 19 -0.603 -8.220 9.088 1.00 0.00 N ATOM 0 H LYS A 19 1.683 -4.130 4.076 1.00 0.00 H new ATOM 0 HA LYS A 19 2.703 -6.838 3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.990 -5.755 5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.383 -5.588 4.897 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.086 -8.034 4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.706 -8.224 5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.095 -6.733 7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.529 -6.571 6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.869 -9.043 7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.753 -9.202 7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.878 -9.103 9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.142 -7.747 9.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.430 -7.594 9.016 1.00 0.00 H new ATOM 347 N SER A 20 0.256 -5.725 1.635 1.00 0.00 N ATOM 348 CA SER A 20 -0.389 -5.874 0.288 1.00 0.00 C ATOM 349 C SER A 20 0.590 -6.274 -0.857 1.00 0.00 C ATOM 350 O SER A 20 0.300 -7.149 -1.673 1.00 0.00 O ATOM 351 CB SER A 20 -0.968 -4.471 -0.019 1.00 0.00 C ATOM 352 OG SER A 20 -2.336 -4.516 -0.401 1.00 0.00 O ATOM 0 H SER A 20 0.041 -4.826 2.066 1.00 0.00 H new ATOM 0 HA SER A 20 -1.124 -6.678 0.326 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.861 -3.837 0.861 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.387 -4.009 -0.817 1.00 0.00 H new ATOM 0 HG SER A 20 -2.655 -3.607 -0.582 1.00 0.00 H new ATOM 358 N PHE A 21 1.740 -5.586 -0.862 1.00 0.00 N ATOM 359 CA PHE A 21 2.881 -5.784 -1.767 1.00 0.00 C ATOM 360 C PHE A 21 3.512 -7.209 -1.663 1.00 0.00 C ATOM 361 O PHE A 21 3.749 -7.867 -2.679 1.00 0.00 O ATOM 362 CB PHE A 21 3.823 -4.617 -1.346 1.00 0.00 C ATOM 363 CG PHE A 21 4.996 -4.348 -2.288 1.00 0.00 C ATOM 364 CD1 PHE A 21 6.072 -5.246 -2.341 1.00 0.00 C ATOM 365 CD2 PHE A 21 5.127 -3.083 -2.863 1.00 0.00 C ATOM 366 CE1 PHE A 21 7.305 -4.826 -2.811 1.00 0.00 C ATOM 367 CE2 PHE A 21 6.353 -2.682 -3.377 1.00 0.00 C ATOM 368 CZ PHE A 21 7.455 -3.534 -3.287 1.00 0.00 C ATOM 0 H PHE A 21 1.909 -4.832 -0.196 1.00 0.00 H new ATOM 0 HA PHE A 21 2.623 -5.752 -2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.230 -3.706 -1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.218 -4.832 -0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.939 -6.267 -2.015 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.277 -2.418 -2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.146 -5.503 -2.806 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.454 -1.714 -3.845 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.431 -3.184 -3.590 1.00 0.00 H new ATOM 378 N LEU A 22 3.767 -7.652 -0.420 1.00 0.00 N ATOM 379 CA LEU A 22 4.265 -9.014 -0.072 1.00 0.00 C ATOM 380 C LEU A 22 3.377 -10.214 -0.551 1.00 0.00 C ATOM 381 O LEU A 22 3.905 -11.303 -0.787 1.00 0.00 O ATOM 382 CB LEU A 22 4.561 -9.068 1.440 1.00 0.00 C ATOM 383 CG LEU A 22 5.562 -7.990 1.948 1.00 0.00 C ATOM 384 CD1 LEU A 22 5.727 -8.122 3.448 1.00 0.00 C ATOM 385 CD2 LEU A 22 6.943 -7.993 1.269 1.00 0.00 C ATOM 0 H LEU A 22 3.632 -7.063 0.402 1.00 0.00 H new ATOM 0 HA LEU A 22 5.181 -9.160 -0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.623 -8.957 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.956 -10.054 1.684 1.00 0.00 H new ATOM 0 HG LEU A 22 5.117 -7.033 1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.428 -7.367 3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.762 -7.979 3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.110 -9.114 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.561 -7.204 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.425 -8.958 1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.823 -7.820 0.200 1.00 0.00 H new ATOM 397 N GLU A 23 2.057 -9.990 -0.734 1.00 0.00 N ATOM 398 CA GLU A 23 1.115 -10.965 -1.343 1.00 0.00 C ATOM 399 C GLU A 23 1.203 -10.839 -2.900 1.00 0.00 C ATOM 400 O GLU A 23 1.533 -11.817 -3.575 1.00 0.00 O ATOM 401 CB GLU A 23 -0.311 -10.690 -0.776 1.00 0.00 C ATOM 402 CG GLU A 23 -1.369 -11.781 -1.050 1.00 0.00 C ATOM 403 CD GLU A 23 -1.108 -13.111 -0.334 1.00 0.00 C ATOM 404 OE1 GLU A 23 -0.631 -14.098 -0.893 1.00 0.00 O ATOM 405 OE2 GLU A 23 -1.460 -13.066 0.991 1.00 0.00 O ATOM 0 H GLU A 23 1.607 -9.117 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 23 1.368 -11.995 -1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.231 -10.551 0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.671 -9.749 -1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.347 -11.406 -0.748 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.415 -11.963 -2.124 1.00 0.00 H new ATOM 413 N ASN A 24 0.931 -9.634 -3.437 1.00 0.00 N ATOM 414 CA ASN A 24 1.101 -9.298 -4.872 1.00 0.00 C ATOM 415 C ASN A 24 1.468 -7.798 -4.998 1.00 0.00 C ATOM 416 O ASN A 24 0.787 -6.900 -4.492 1.00 0.00 O ATOM 417 CB ASN A 24 -0.063 -9.682 -5.821 1.00 0.00 C ATOM 418 CG ASN A 24 -1.514 -9.455 -5.394 1.00 0.00 C ATOM 419 OD1 ASN A 24 -1.847 -8.688 -4.489 1.00 0.00 O ATOM 420 ND2 ASN A 24 -2.407 -10.110 -6.106 1.00 0.00 N ATOM 0 H ASN A 24 0.582 -8.853 -2.882 1.00 0.00 H new ATOM 0 HA ASN A 24 1.912 -9.935 -5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.088 -9.138 -6.753 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.044 -10.742 -6.050 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.401 -9.988 -5.914 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.104 -10.739 -6.850 1.00 0.00 H new ATOM 427 N GLN A 25 2.569 -7.573 -5.726 1.00 0.00 N ATOM 428 CA GLN A 25 3.118 -6.211 -6.007 1.00 0.00 C ATOM 429 C GLN A 25 2.283 -5.447 -7.075 1.00 0.00 C ATOM 430 O GLN A 25 1.854 -4.317 -6.830 1.00 0.00 O ATOM 431 CB GLN A 25 4.622 -6.328 -6.379 1.00 0.00 C ATOM 432 CG GLN A 25 5.474 -5.066 -6.137 1.00 0.00 C ATOM 433 CD GLN A 25 5.305 -3.913 -7.139 1.00 0.00 C ATOM 434 OE1 GLN A 25 5.751 -3.992 -8.282 1.00 0.00 O ATOM 435 NE2 GLN A 25 4.678 -2.821 -6.730 1.00 0.00 N ATOM 0 H GLN A 25 3.117 -8.324 -6.145 1.00 0.00 H new ATOM 0 HA GLN A 25 3.039 -5.605 -5.104 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.055 -7.150 -5.809 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.696 -6.597 -7.433 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.244 -4.687 -5.141 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.523 -5.360 -6.132 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.313 -2.769 -5.779 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.560 -2.032 -7.366 1.00 0.00 H new ATOM 444 N LYS A 26 2.077 -6.087 -8.239 1.00 0.00 N ATOM 445 CA LYS A 26 1.190 -5.590 -9.319 1.00 0.00 C ATOM 446 C LYS A 26 -0.097 -6.456 -9.269 1.00 0.00 C ATOM 447 O LYS A 26 -0.198 -7.400 -10.062 1.00 0.00 O ATOM 448 CB LYS A 26 1.928 -5.599 -10.686 1.00 0.00 C ATOM 449 CG LYS A 26 3.070 -4.563 -10.811 1.00 0.00 C ATOM 450 CD LYS A 26 3.753 -4.582 -12.195 1.00 0.00 C ATOM 451 CE LYS A 26 4.899 -3.565 -12.364 1.00 0.00 C ATOM 452 NZ LYS A 26 6.109 -3.913 -11.593 1.00 0.00 N ATOM 0 H LYS A 26 2.525 -6.975 -8.464 1.00 0.00 H new ATOM 0 HA LYS A 26 0.907 -4.547 -9.180 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.339 -6.594 -10.855 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.201 -5.415 -11.477 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.671 -3.566 -10.623 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.816 -4.758 -10.041 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.144 -5.583 -12.378 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.000 -4.390 -12.959 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.158 -3.493 -13.420 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.550 -2.580 -12.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.858 -3.218 -11.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.887 -3.905 -10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.436 -4.861 -11.869 1.00 0.00 H new ATOM 465 N PRO A 27 -1.109 -6.198 -8.373 1.00 0.00 N ATOM 466 CA PRO A 27 -2.434 -6.868 -8.457 1.00 0.00 C ATOM 467 C PRO A 27 -3.172 -6.566 -9.806 1.00 0.00 C ATOM 468 O PRO A 27 -3.750 -7.479 -10.397 1.00 0.00 O ATOM 469 CB PRO A 27 -3.128 -6.386 -7.170 1.00 0.00 C ATOM 470 CG PRO A 27 -2.540 -5.013 -6.870 1.00 0.00 C ATOM 471 CD PRO A 27 -1.092 -5.134 -7.341 1.00 0.00 C ATOM 0 HA PRO A 27 -2.399 -7.957 -8.493 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.208 -6.327 -7.307 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.948 -7.077 -6.346 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.071 -4.224 -7.403 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -2.598 -4.775 -5.808 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.731 -4.191 -7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.430 -5.396 -6.516 1.00 0.00 H new ATOM 479 N THR A 28 -3.087 -5.294 -10.254 1.00 0.00 N ATOM 480 CA THR A 28 -3.508 -4.736 -11.544 1.00 0.00 C ATOM 481 C THR A 28 -4.061 -3.299 -11.410 1.00 0.00 C ATOM 482 O THR A 28 -4.577 -2.940 -10.357 1.00 0.00 O ATOM 483 CB THR A 28 -3.814 -5.599 -12.805 1.00 0.00 C ATOM 484 OG1 THR A 28 -4.969 -6.403 -12.606 1.00 0.00 O ATOM 485 CG2 THR A 28 -2.601 -6.464 -13.223 1.00 0.00 C ATOM 0 H THR A 28 -2.683 -4.570 -9.660 1.00 0.00 H new ATOM 0 HA THR A 28 -2.568 -4.721 -12.095 1.00 0.00 H new ATOM 0 HB THR A 28 -4.016 -4.910 -13.625 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.843 -6.965 -11.813 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.858 -7.049 -14.106 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.754 -5.817 -13.451 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.335 -7.136 -12.407 1.00 0.00 H new ATOM 493 N SER A 29 -3.875 -2.423 -12.421 1.00 0.00 N ATOM 494 CA SER A 29 -4.379 -1.008 -12.394 1.00 0.00 C ATOM 495 C SER A 29 -5.858 -0.772 -11.931 1.00 0.00 C ATOM 496 O SER A 29 -6.180 0.247 -11.317 1.00 0.00 O ATOM 497 CB SER A 29 -4.227 -0.440 -13.823 1.00 0.00 C ATOM 498 OG SER A 29 -2.878 -0.107 -14.116 1.00 0.00 O ATOM 0 H SER A 29 -3.377 -2.662 -13.278 1.00 0.00 H new ATOM 0 HA SER A 29 -3.779 -0.509 -11.632 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.586 -1.173 -14.546 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.852 0.446 -13.930 1.00 0.00 H new ATOM 0 HG SER A 29 -2.819 0.247 -15.028 1.00 0.00 H new ATOM 504 N GLU A 30 -6.726 -1.714 -12.310 1.00 0.00 N ATOM 505 CA GLU A 30 -8.147 -1.783 -11.839 1.00 0.00 C ATOM 506 C GLU A 30 -8.248 -2.478 -10.451 1.00 0.00 C ATOM 507 O GLU A 30 -8.947 -1.990 -9.566 1.00 0.00 O ATOM 508 CB GLU A 30 -9.058 -2.461 -12.899 1.00 0.00 C ATOM 509 CG GLU A 30 -9.226 -1.723 -14.248 1.00 0.00 C ATOM 510 CD GLU A 30 -9.931 -0.364 -14.151 1.00 0.00 C ATOM 511 OE1 GLU A 30 -11.154 -0.230 -14.194 1.00 0.00 O ATOM 512 OE2 GLU A 30 -9.043 0.673 -14.010 1.00 0.00 O ATOM 0 H GLU A 30 -6.479 -2.464 -12.956 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.509 -0.763 -11.712 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.660 -3.455 -13.103 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.047 -2.597 -12.461 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.241 -1.575 -14.691 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.789 -2.362 -14.928 1.00 0.00 H new ATOM 520 N GLU A 31 -7.539 -3.607 -10.280 1.00 0.00 N ATOM 521 CA GLU A 31 -7.361 -4.324 -8.990 1.00 0.00 C ATOM 522 C GLU A 31 -6.817 -3.474 -7.773 1.00 0.00 C ATOM 523 O GLU A 31 -7.124 -3.784 -6.619 1.00 0.00 O ATOM 524 CB GLU A 31 -6.432 -5.514 -9.379 1.00 0.00 C ATOM 525 CG GLU A 31 -6.531 -6.723 -8.419 1.00 0.00 C ATOM 526 CD GLU A 31 -7.850 -7.498 -8.507 1.00 0.00 C ATOM 527 OE1 GLU A 31 -8.097 -8.319 -9.389 1.00 0.00 O ATOM 528 OE2 GLU A 31 -8.712 -7.168 -7.493 1.00 0.00 O ATOM 0 H GLU A 31 -7.057 -4.065 -11.053 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.325 -4.626 -8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.681 -5.842 -10.388 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.400 -5.164 -9.403 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.708 -7.406 -8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.399 -6.370 -7.396 1.00 0.00 H new ATOM 536 N ILE A 32 -6.051 -2.397 -8.054 1.00 0.00 N ATOM 537 CA ILE A 32 -5.584 -1.343 -7.094 1.00 0.00 C ATOM 538 C ILE A 32 -6.776 -0.587 -6.378 1.00 0.00 C ATOM 539 O ILE A 32 -6.641 -0.156 -5.232 1.00 0.00 O ATOM 540 CB ILE A 32 -4.537 -0.450 -7.891 1.00 0.00 C ATOM 541 CG1 ILE A 32 -3.184 -0.188 -7.179 1.00 0.00 C ATOM 542 CG2 ILE A 32 -5.012 0.915 -8.425 1.00 0.00 C ATOM 543 CD1 ILE A 32 -1.995 -0.266 -8.158 1.00 0.00 C ATOM 0 H ILE A 32 -5.719 -2.220 -9.002 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.074 -1.766 -6.229 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.407 -1.128 -8.734 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.205 0.796 -6.711 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.046 -0.918 -6.381 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.191 1.408 -8.945 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.842 0.767 -9.116 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.340 1.537 -7.592 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.067 -0.077 -7.619 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.958 -1.259 -8.607 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.119 0.482 -8.941 1.00 0.00 H new ATOM 555 N THR A 33 -7.929 -0.454 -7.076 1.00 0.00 N ATOM 556 CA THR A 33 -9.221 0.088 -6.548 1.00 0.00 C ATOM 557 C THR A 33 -9.798 -0.711 -5.335 1.00 0.00 C ATOM 558 O THR A 33 -10.237 -0.114 -4.348 1.00 0.00 O ATOM 559 CB THR A 33 -10.225 0.329 -7.735 1.00 0.00 C ATOM 560 OG1 THR A 33 -10.888 1.572 -7.534 1.00 0.00 O ATOM 561 CG2 THR A 33 -11.326 -0.731 -7.945 1.00 0.00 C ATOM 0 H THR A 33 -7.996 -0.728 -8.056 1.00 0.00 H new ATOM 0 HA THR A 33 -9.026 1.062 -6.100 1.00 0.00 H new ATOM 0 HB THR A 33 -9.593 0.290 -8.622 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.515 1.731 -8.270 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.949 -0.446 -8.793 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.866 -1.699 -8.142 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.942 -0.798 -7.049 1.00 0.00 H new ATOM 569 N MET A 34 -9.789 -2.056 -5.438 1.00 0.00 N ATOM 570 CA MET A 34 -10.190 -2.988 -4.350 1.00 0.00 C ATOM 571 C MET A 34 -9.364 -2.838 -3.029 1.00 0.00 C ATOM 572 O MET A 34 -9.919 -2.961 -1.935 1.00 0.00 O ATOM 573 CB MET A 34 -10.103 -4.427 -4.932 1.00 0.00 C ATOM 574 CG MET A 34 -11.212 -5.350 -4.412 1.00 0.00 C ATOM 575 SD MET A 34 -10.921 -7.049 -4.954 1.00 0.00 S ATOM 576 CE MET A 34 -11.806 -7.083 -6.528 1.00 0.00 C ATOM 0 H MET A 34 -9.500 -2.538 -6.289 1.00 0.00 H new ATOM 0 HA MET A 34 -11.206 -2.746 -4.038 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.159 -4.377 -6.019 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.133 -4.856 -4.682 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.247 -5.310 -3.323 1.00 0.00 H new ATOM 0 HG3 MET A 34 -12.180 -5.006 -4.775 1.00 0.00 H new ATOM 0 HE1 MET A 34 -11.713 -8.072 -6.977 1.00 0.00 H new ATOM 0 HE2 MET A 34 -12.859 -6.860 -6.358 1.00 0.00 H new ATOM 0 HE3 MET A 34 -11.381 -6.338 -7.201 1.00 0.00 H new ATOM 586 N ILE A 35 -8.052 -2.552 -3.163 1.00 0.00 N ATOM 587 CA ILE A 35 -7.129 -2.208 -2.039 1.00 0.00 C ATOM 588 C ILE A 35 -7.608 -0.943 -1.249 1.00 0.00 C ATOM 589 O ILE A 35 -7.684 -0.991 -0.019 1.00 0.00 O ATOM 590 CB ILE A 35 -5.652 -2.020 -2.551 1.00 0.00 C ATOM 591 CG1 ILE A 35 -5.096 -3.087 -3.535 1.00 0.00 C ATOM 592 CG2 ILE A 35 -4.665 -1.850 -1.378 1.00 0.00 C ATOM 593 CD1 ILE A 35 -5.005 -4.492 -2.949 1.00 0.00 C ATOM 0 H ILE A 35 -7.586 -2.551 -4.070 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.147 -3.050 -1.347 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.730 -1.109 -3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.732 -3.115 -4.420 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.104 -2.778 -3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.655 -1.723 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.942 -0.972 -0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.700 -2.735 -0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.608 -5.175 -3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.344 -4.483 -2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.998 -4.825 -2.645 1.00 0.00 H new ATOM 605 N ALA A 36 -7.917 0.162 -1.961 1.00 0.00 N ATOM 606 CA ALA A 36 -8.497 1.402 -1.353 1.00 0.00 C ATOM 607 C ALA A 36 -9.795 1.191 -0.514 1.00 0.00 C ATOM 608 O ALA A 36 -9.916 1.740 0.586 1.00 0.00 O ATOM 609 CB ALA A 36 -8.737 2.477 -2.429 1.00 0.00 C ATOM 0 H ALA A 36 -7.776 0.230 -2.969 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.742 1.735 -0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.159 3.369 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.791 2.730 -2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.432 2.094 -3.177 1.00 0.00 H new ATOM 615 N ASP A 37 -10.730 0.370 -1.035 1.00 0.00 N ATOM 616 CA ASP A 37 -11.960 -0.063 -0.317 1.00 0.00 C ATOM 617 C ASP A 37 -11.674 -0.895 0.976 1.00 0.00 C ATOM 618 O ASP A 37 -12.305 -0.651 2.005 1.00 0.00 O ATOM 619 CB ASP A 37 -12.831 -0.870 -1.320 1.00 0.00 C ATOM 620 CG ASP A 37 -14.332 -0.856 -0.991 1.00 0.00 C ATOM 621 OD1 ASP A 37 -15.000 0.175 -0.913 1.00 0.00 O ATOM 622 OD2 ASP A 37 -14.838 -2.118 -0.806 1.00 0.00 O ATOM 0 H ASP A 37 -10.657 -0.018 -1.975 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.484 0.826 0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.685 -0.465 -2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.483 -1.903 -1.340 1.00 0.00 H new ATOM 628 N GLN A 38 -10.713 -1.844 0.911 1.00 0.00 N ATOM 629 CA GLN A 38 -10.255 -2.663 2.072 1.00 0.00 C ATOM 630 C GLN A 38 -9.818 -1.797 3.302 1.00 0.00 C ATOM 631 O GLN A 38 -10.379 -2.002 4.382 1.00 0.00 O ATOM 632 CB GLN A 38 -9.161 -3.641 1.561 1.00 0.00 C ATOM 633 CG GLN A 38 -8.708 -4.716 2.573 1.00 0.00 C ATOM 634 CD GLN A 38 -7.601 -5.619 2.003 1.00 0.00 C ATOM 635 OE1 GLN A 38 -6.425 -5.254 1.985 1.00 0.00 O ATOM 636 NE2 GLN A 38 -7.947 -6.802 1.519 1.00 0.00 N ATOM 0 H GLN A 38 -10.224 -2.070 0.045 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.088 -3.244 2.468 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.534 -4.142 0.668 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.290 -3.059 1.260 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.348 -4.230 3.480 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.564 -5.328 2.858 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.924 -7.095 1.539 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.237 -7.420 1.127 1.00 0.00 H new ATOM 645 N LEU A 39 -8.879 -0.831 3.139 1.00 0.00 N ATOM 646 CA LEU A 39 -8.534 0.143 4.213 1.00 0.00 C ATOM 647 C LEU A 39 -9.463 1.398 4.066 1.00 0.00 C ATOM 648 O LEU A 39 -10.689 1.245 4.000 1.00 0.00 O ATOM 649 CB LEU A 39 -6.985 0.305 4.390 1.00 0.00 C ATOM 650 CG LEU A 39 -6.003 0.856 3.303 1.00 0.00 C ATOM 651 CD1 LEU A 39 -4.854 -0.057 2.896 1.00 0.00 C ATOM 652 CD2 LEU A 39 -6.534 1.574 2.083 1.00 0.00 C ATOM 0 H LEU A 39 -8.347 -0.704 2.278 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.769 -0.214 5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.850 0.943 5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.611 -0.684 4.656 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.627 1.656 3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.247 0.438 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.238 -0.277 3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.254 -0.986 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.701 1.879 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.189 0.906 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.095 2.455 2.395 1.00 0.00 H new ATOM 664 N ASN A 40 -8.914 2.624 4.069 1.00 0.00 N ATOM 665 CA ASN A 40 -9.700 3.879 3.845 1.00 0.00 C ATOM 666 C ASN A 40 -8.812 4.952 3.133 1.00 0.00 C ATOM 667 O ASN A 40 -8.547 6.030 3.678 1.00 0.00 O ATOM 668 CB ASN A 40 -10.300 4.340 5.204 1.00 0.00 C ATOM 669 CG ASN A 40 -11.277 5.508 5.139 1.00 0.00 C ATOM 670 OD1 ASN A 40 -12.071 5.670 4.212 1.00 0.00 O ATOM 671 ND2 ASN A 40 -11.296 6.263 6.215 1.00 0.00 N ATOM 0 H ASN A 40 -7.919 2.788 4.225 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.539 3.708 3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.809 3.491 5.661 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.479 4.614 5.867 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.984 7.011 6.301 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.623 6.100 6.964 1.00 0.00 H new ATOM 678 N MET A 41 -8.375 4.652 1.896 1.00 0.00 N ATOM 679 CA MET A 41 -7.395 5.489 1.149 1.00 0.00 C ATOM 680 C MET A 41 -8.058 6.388 0.066 1.00 0.00 C ATOM 681 O MET A 41 -9.137 6.068 -0.449 1.00 0.00 O ATOM 682 CB MET A 41 -6.447 4.553 0.314 1.00 0.00 C ATOM 683 CG MET A 41 -4.926 4.661 0.521 1.00 0.00 C ATOM 684 SD MET A 41 -4.370 6.150 1.382 1.00 0.00 S ATOM 685 CE MET A 41 -2.722 5.603 1.903 1.00 0.00 C ATOM 0 H MET A 41 -8.685 3.828 1.381 1.00 0.00 H new ATOM 0 HA MET A 41 -6.894 6.093 1.905 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.736 3.522 0.521 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.650 4.735 -0.741 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.589 3.789 1.082 1.00 0.00 H new ATOM 0 HG3 MET A 41 -4.439 4.621 -0.453 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.723 5.416 2.977 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.459 4.686 1.375 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.991 6.378 1.670 1.00 0.00 H new ATOM 695 N GLU A 42 -7.322 7.437 -0.365 1.00 0.00 N ATOM 696 CA GLU A 42 -7.512 7.985 -1.742 1.00 0.00 C ATOM 697 C GLU A 42 -6.699 7.037 -2.684 1.00 0.00 C ATOM 698 O GLU A 42 -5.666 6.490 -2.290 1.00 0.00 O ATOM 699 CB GLU A 42 -7.177 9.469 -1.989 1.00 0.00 C ATOM 700 CG GLU A 42 -7.910 10.474 -1.069 1.00 0.00 C ATOM 701 CD GLU A 42 -8.106 11.870 -1.672 1.00 0.00 C ATOM 702 OE1 GLU A 42 -9.212 12.392 -1.810 1.00 0.00 O ATOM 703 OE2 GLU A 42 -6.924 12.463 -2.035 1.00 0.00 O ATOM 0 H GLU A 42 -6.613 7.913 0.193 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.584 7.997 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.103 9.607 -1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.414 9.710 -3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.887 10.064 -0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.349 10.570 -0.139 1.00 0.00 H new ATOM 711 N LYS A 43 -7.190 6.772 -3.899 1.00 0.00 N ATOM 712 CA LYS A 43 -6.526 5.790 -4.818 1.00 0.00 C ATOM 713 C LYS A 43 -5.301 6.202 -5.655 1.00 0.00 C ATOM 714 O LYS A 43 -4.427 5.371 -5.924 1.00 0.00 O ATOM 715 CB LYS A 43 -7.506 5.046 -5.708 1.00 0.00 C ATOM 716 CG LYS A 43 -7.039 3.575 -5.949 1.00 0.00 C ATOM 717 CD LYS A 43 -7.577 3.073 -7.311 1.00 0.00 C ATOM 718 CE LYS A 43 -7.217 3.829 -8.617 1.00 0.00 C ATOM 719 NZ LYS A 43 -5.783 4.130 -8.794 1.00 0.00 N ATOM 0 H LYS A 43 -8.030 7.206 -4.281 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.092 5.149 -4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.494 5.047 -5.247 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.600 5.563 -6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.950 3.522 -5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.400 2.933 -5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.243 2.043 -7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.664 3.049 -7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.555 3.235 -9.466 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.774 4.766 -8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.654 5.157 -8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.253 3.797 -7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.430 3.649 -9.646 1.00 0.00 H new ATOM 732 N GLU A 44 -5.257 7.467 -6.074 1.00 0.00 N ATOM 733 CA GLU A 44 -4.042 8.053 -6.754 1.00 0.00 C ATOM 734 C GLU A 44 -2.701 7.767 -5.973 1.00 0.00 C ATOM 735 O GLU A 44 -1.678 7.404 -6.553 1.00 0.00 O ATOM 736 CB GLU A 44 -4.266 9.578 -6.944 1.00 0.00 C ATOM 737 CG GLU A 44 -3.302 10.304 -7.909 1.00 0.00 C ATOM 738 CD GLU A 44 -3.422 9.874 -9.375 1.00 0.00 C ATOM 739 OE1 GLU A 44 -4.268 10.325 -10.147 1.00 0.00 O ATOM 740 OE2 GLU A 44 -2.483 8.934 -9.720 1.00 0.00 O ATOM 0 H GLU A 44 -6.031 8.123 -5.967 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.926 7.567 -7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.284 9.731 -7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.195 10.057 -5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.483 11.377 -7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.278 10.132 -7.576 1.00 0.00 H new ATOM 748 N VAL A 45 -2.840 7.850 -4.643 1.00 0.00 N ATOM 749 CA VAL A 45 -1.903 7.378 -3.603 1.00 0.00 C ATOM 750 C VAL A 45 -1.451 5.887 -3.754 1.00 0.00 C ATOM 751 O VAL A 45 -0.245 5.692 -3.792 1.00 0.00 O ATOM 752 CB VAL A 45 -2.662 7.666 -2.257 1.00 0.00 C ATOM 753 CG1 VAL A 45 -2.462 6.706 -1.092 1.00 0.00 C ATOM 754 CG2 VAL A 45 -2.467 9.062 -1.693 1.00 0.00 C ATOM 0 H VAL A 45 -3.669 8.279 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.947 7.897 -3.667 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.673 7.522 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.051 7.042 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.784 5.707 -1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.407 6.682 -0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.030 9.161 -0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.408 9.230 -1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.822 9.799 -2.414 1.00 0.00 H new ATOM 764 N ILE A 46 -2.349 4.870 -3.798 1.00 0.00 N ATOM 765 CA ILE A 46 -1.934 3.412 -3.845 1.00 0.00 C ATOM 766 C ILE A 46 -0.939 3.077 -5.000 1.00 0.00 C ATOM 767 O ILE A 46 0.095 2.476 -4.709 1.00 0.00 O ATOM 768 CB ILE A 46 -3.006 2.251 -3.761 1.00 0.00 C ATOM 769 CG1 ILE A 46 -3.917 2.282 -2.513 1.00 0.00 C ATOM 770 CG2 ILE A 46 -2.346 0.841 -3.693 1.00 0.00 C ATOM 771 CD1 ILE A 46 -5.088 3.200 -2.676 1.00 0.00 C ATOM 0 H ILE A 46 -3.359 5.013 -3.803 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.464 3.392 -2.862 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.587 2.423 -4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.277 1.274 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.332 2.596 -1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.123 0.078 -3.637 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.742 0.679 -4.586 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.711 0.779 -2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.693 3.182 -1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.733 4.215 -2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.692 2.872 -3.522 1.00 0.00 H new ATOM 783 N ARG A 47 -1.251 3.400 -6.271 1.00 0.00 N ATOM 784 CA ARG A 47 -0.321 3.142 -7.412 1.00 0.00 C ATOM 785 C ARG A 47 1.064 3.864 -7.256 1.00 0.00 C ATOM 786 O ARG A 47 2.102 3.267 -7.541 1.00 0.00 O ATOM 787 CB ARG A 47 -1.029 3.424 -8.764 1.00 0.00 C ATOM 788 CG ARG A 47 -0.294 2.787 -9.968 1.00 0.00 C ATOM 789 CD ARG A 47 -1.153 2.660 -11.242 1.00 0.00 C ATOM 790 NE ARG A 47 -0.411 2.021 -12.361 1.00 0.00 N ATOM 791 CZ ARG A 47 -0.212 0.693 -12.507 1.00 0.00 C ATOM 792 NH1 ARG A 47 -0.663 -0.228 -11.657 1.00 0.00 N ATOM 793 NH2 ARG A 47 0.472 0.280 -13.558 1.00 0.00 N ATOM 0 H ARG A 47 -2.132 3.838 -6.542 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.066 2.082 -7.401 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.049 3.041 -8.722 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.099 4.501 -8.915 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.588 3.384 -10.197 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.058 1.796 -9.681 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.045 2.075 -11.019 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.490 3.650 -11.551 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.021 2.635 -13.076 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.196 0.055 -10.834 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.476 -1.216 -11.829 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.832 0.957 -14.230 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.640 -0.716 -13.698 1.00 0.00 H new ATOM 806 N VAL A 48 1.043 5.116 -6.762 1.00 0.00 N ATOM 807 CA VAL A 48 2.231 5.917 -6.358 1.00 0.00 C ATOM 808 C VAL A 48 3.024 5.273 -5.154 1.00 0.00 C ATOM 809 O VAL A 48 4.249 5.187 -5.235 1.00 0.00 O ATOM 810 CB VAL A 48 1.683 7.378 -6.143 1.00 0.00 C ATOM 811 CG1 VAL A 48 2.411 8.226 -5.094 1.00 0.00 C ATOM 812 CG2 VAL A 48 1.598 8.169 -7.469 1.00 0.00 C ATOM 0 H VAL A 48 0.169 5.623 -6.625 1.00 0.00 H new ATOM 0 HA VAL A 48 3.011 5.939 -7.119 1.00 0.00 H new ATOM 0 HB VAL A 48 0.686 7.200 -5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.945 9.210 -5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.348 7.736 -4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.458 8.336 -5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.215 9.170 -7.271 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.590 8.241 -7.914 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.928 7.654 -8.158 1.00 0.00 H new ATOM 822 N TRP A 49 2.351 4.854 -4.057 1.00 0.00 N ATOM 823 CA TRP A 49 2.961 4.135 -2.899 1.00 0.00 C ATOM 824 C TRP A 49 3.591 2.772 -3.322 1.00 0.00 C ATOM 825 O TRP A 49 4.701 2.472 -2.888 1.00 0.00 O ATOM 826 CB TRP A 49 1.902 3.936 -1.767 1.00 0.00 C ATOM 827 CG TRP A 49 2.496 3.540 -0.397 1.00 0.00 C ATOM 828 CD1 TRP A 49 3.123 4.404 0.528 1.00 0.00 C ATOM 829 CD2 TRP A 49 2.814 2.262 0.026 1.00 0.00 C ATOM 830 NE1 TRP A 49 3.850 3.690 1.504 1.00 0.00 N ATOM 831 CE2 TRP A 49 3.682 2.360 1.148 1.00 0.00 C ATOM 832 CE3 TRP A 49 2.592 1.014 -0.598 1.00 0.00 C ATOM 833 CZ2 TRP A 49 4.400 1.209 1.586 1.00 0.00 C ATOM 834 CZ3 TRP A 49 3.363 -0.070 -0.196 1.00 0.00 C ATOM 835 CH2 TRP A 49 4.264 0.029 0.852 1.00 0.00 C ATOM 0 H TRP A 49 1.349 5.006 -3.944 1.00 0.00 H new ATOM 0 HA TRP A 49 3.773 4.753 -2.516 1.00 0.00 H new ATOM 0 HB2 TRP A 49 1.336 4.860 -1.650 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.196 3.167 -2.079 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.054 5.481 0.492 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.378 4.066 2.291 1.00 0.00 H new ATOM 0 HE3 TRP A 49 1.842 0.905 -1.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 5.032 1.249 2.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.257 -1.012 -0.713 1.00 0.00 H new ATOM 0 HH2 TRP A 49 4.874 -0.825 1.107 1.00 0.00 H new ATOM 846 N PHE A 50 2.884 1.955 -4.135 1.00 0.00 N ATOM 847 CA PHE A 50 3.424 0.710 -4.731 1.00 0.00 C ATOM 848 C PHE A 50 4.663 0.957 -5.669 1.00 0.00 C ATOM 849 O PHE A 50 5.590 0.146 -5.649 1.00 0.00 O ATOM 850 CB PHE A 50 2.240 -0.051 -5.428 1.00 0.00 C ATOM 851 CG PHE A 50 1.317 -1.015 -4.619 1.00 0.00 C ATOM 852 CD1 PHE A 50 1.580 -1.392 -3.300 1.00 0.00 C ATOM 853 CD2 PHE A 50 0.221 -1.600 -5.266 1.00 0.00 C ATOM 854 CE1 PHE A 50 0.835 -2.383 -2.675 1.00 0.00 C ATOM 855 CE2 PHE A 50 -0.559 -2.564 -4.623 1.00 0.00 C ATOM 856 CZ PHE A 50 -0.228 -2.988 -3.336 1.00 0.00 C ATOM 0 H PHE A 50 1.916 2.141 -4.398 1.00 0.00 H new ATOM 0 HA PHE A 50 3.833 0.077 -3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.596 0.704 -5.878 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.670 -0.631 -6.244 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.376 -0.904 -2.757 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.024 -1.302 -6.275 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.083 -2.686 -1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.420 -2.982 -5.123 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.791 -3.777 -2.859 1.00 0.00 H new ATOM 866 N CYS A 51 4.688 2.067 -6.445 1.00 0.00 N ATOM 867 CA CYS A 51 5.872 2.527 -7.233 1.00 0.00 C ATOM 868 C CYS A 51 7.105 3.001 -6.395 1.00 0.00 C ATOM 869 O CYS A 51 8.251 2.773 -6.789 1.00 0.00 O ATOM 870 CB CYS A 51 5.436 3.712 -8.124 1.00 0.00 C ATOM 871 SG CYS A 51 6.562 3.873 -9.549 1.00 0.00 S ATOM 0 H CYS A 51 3.879 2.680 -6.547 1.00 0.00 H new ATOM 0 HA CYS A 51 6.201 1.651 -7.792 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.415 3.558 -8.473 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.438 4.634 -7.543 1.00 0.00 H new ATOM 0 HG CYS A 51 6.183 4.871 -10.291 1.00 0.00 H new ATOM 877 N ASN A 52 6.839 3.639 -5.240 1.00 0.00 N ATOM 878 CA ASN A 52 7.872 4.168 -4.306 1.00 0.00 C ATOM 879 C ASN A 52 8.426 3.036 -3.392 1.00 0.00 C ATOM 880 O ASN A 52 9.653 2.913 -3.314 1.00 0.00 O ATOM 881 CB ASN A 52 7.248 5.371 -3.542 1.00 0.00 C ATOM 882 CG ASN A 52 8.203 6.206 -2.662 1.00 0.00 C ATOM 883 OD1 ASN A 52 9.417 6.002 -2.601 1.00 0.00 O ATOM 884 ND2 ASN A 52 7.653 7.189 -1.967 1.00 0.00 N ATOM 0 H ASN A 52 5.887 3.808 -4.917 1.00 0.00 H new ATOM 0 HA ASN A 52 8.748 4.534 -4.841 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.790 6.037 -4.273 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.446 4.992 -2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.235 7.783 -1.376 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.648 7.352 -2.022 1.00 0.00 H new ATOM 891 N ARG A 53 7.586 2.186 -2.754 1.00 0.00 N ATOM 892 CA ARG A 53 8.057 0.954 -2.085 1.00 0.00 C ATOM 893 C ARG A 53 8.668 -0.145 -3.016 1.00 0.00 C ATOM 894 O ARG A 53 9.250 -1.086 -2.481 1.00 0.00 O ATOM 895 CB ARG A 53 6.886 0.436 -1.231 1.00 0.00 C ATOM 896 CG ARG A 53 7.371 -0.334 0.017 1.00 0.00 C ATOM 897 CD ARG A 53 7.172 -1.832 -0.043 1.00 0.00 C ATOM 898 NE ARG A 53 7.231 -2.472 1.296 1.00 0.00 N ATOM 899 CZ ARG A 53 6.980 -3.770 1.533 1.00 0.00 C ATOM 900 NH1 ARG A 53 6.605 -4.628 0.614 1.00 0.00 N ATOM 901 NH2 ARG A 53 7.070 -4.228 2.755 1.00 0.00 N ATOM 0 H ARG A 53 6.579 2.333 -2.690 1.00 0.00 H new ATOM 0 HA ARG A 53 8.919 1.212 -1.469 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.266 1.277 -0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.257 -0.216 -1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.431 -0.128 0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.847 0.053 0.891 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.207 -2.048 -0.502 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.936 -2.271 -0.685 1.00 0.00 H new ATOM 0 HE ARG A 53 7.480 -1.884 2.092 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.487 -4.322 -0.352 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.431 -5.601 0.865 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.329 -3.601 3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.881 -5.212 2.946 1.00 0.00 H new ATOM 914 N ARG A 54 8.590 -0.014 -4.364 1.00 0.00 N ATOM 915 CA ARG A 54 9.155 -0.970 -5.368 1.00 0.00 C ATOM 916 C ARG A 54 10.668 -1.378 -5.250 1.00 0.00 C ATOM 917 O ARG A 54 11.076 -2.348 -5.895 1.00 0.00 O ATOM 918 CB ARG A 54 8.803 -0.423 -6.782 1.00 0.00 C ATOM 919 CG ARG A 54 8.720 -1.483 -7.908 1.00 0.00 C ATOM 920 CD ARG A 54 7.989 -1.019 -9.186 1.00 0.00 C ATOM 921 NE ARG A 54 6.524 -0.903 -8.971 1.00 0.00 N ATOM 922 CZ ARG A 54 5.638 -0.479 -9.889 1.00 0.00 C ATOM 923 NH1 ARG A 54 5.970 -0.104 -11.122 1.00 0.00 N ATOM 924 NH2 ARG A 54 4.363 -0.433 -9.545 1.00 0.00 N ATOM 0 H ARG A 54 8.121 0.779 -4.802 1.00 0.00 H new ATOM 0 HA ARG A 54 8.683 -1.929 -5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.846 0.095 -6.724 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.550 0.320 -7.061 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.732 -1.787 -8.176 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.214 -2.367 -7.518 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.387 -0.055 -9.503 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.183 -1.726 -9.993 1.00 0.00 H new ATOM 0 HE ARG A 54 6.161 -1.166 -8.055 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.946 -0.129 -11.417 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.248 0.208 -11.772 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.077 -0.714 -8.607 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.664 -0.116 -10.217 1.00 0.00 H new ATOM 937 N GLN A 55 11.465 -0.718 -4.382 1.00 0.00 N ATOM 938 CA GLN A 55 12.849 -1.159 -4.047 1.00 0.00 C ATOM 939 C GLN A 55 12.847 -2.343 -3.006 1.00 0.00 C ATOM 940 O GLN A 55 13.766 -3.163 -3.065 1.00 0.00 O ATOM 941 CB GLN A 55 13.647 0.064 -3.517 1.00 0.00 C ATOM 942 CG GLN A 55 15.180 -0.142 -3.452 1.00 0.00 C ATOM 943 CD GLN A 55 15.936 1.028 -2.803 1.00 0.00 C ATOM 944 OE1 GLN A 55 16.220 1.020 -1.605 1.00 0.00 O ATOM 945 NE2 GLN A 55 16.288 2.048 -3.573 1.00 0.00 N ATOM 0 H GLN A 55 11.176 0.130 -3.894 1.00 0.00 H new ATOM 0 HA GLN A 55 13.331 -1.543 -4.946 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.436 0.922 -4.155 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.285 0.312 -2.519 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.391 -1.054 -2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.560 -0.292 -4.462 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.048 2.045 -4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.799 2.836 -3.174 1.00 0.00 H new ATOM 954 N LYS A 56 11.840 -2.473 -2.101 1.00 0.00 N ATOM 955 CA LYS A 56 11.688 -3.639 -1.169 1.00 0.00 C ATOM 956 C LYS A 56 11.340 -5.056 -1.727 1.00 0.00 C ATOM 957 O LYS A 56 11.299 -6.047 -0.992 1.00 0.00 O ATOM 958 CB LYS A 56 10.638 -3.253 -0.093 1.00 0.00 C ATOM 959 CG LYS A 56 11.179 -3.037 1.337 1.00 0.00 C ATOM 960 CD LYS A 56 11.669 -4.330 2.030 1.00 0.00 C ATOM 961 CE LYS A 56 12.211 -4.140 3.461 1.00 0.00 C ATOM 962 NZ LYS A 56 13.506 -3.434 3.506 1.00 0.00 N ATOM 0 H LYS A 56 11.106 -1.774 -1.992 1.00 0.00 H new ATOM 0 HA LYS A 56 12.705 -3.790 -0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.139 -2.338 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.879 -4.035 -0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.003 -2.324 1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.395 -2.586 1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.844 -5.042 2.062 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.452 -4.777 1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.481 -3.583 4.048 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.321 -5.116 3.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.815 -3.338 4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.215 -3.976 2.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.401 -2.490 3.083 1.00 0.00 H new ATOM 975 N GLU A 57 11.123 -5.096 -3.033 1.00 0.00 N ATOM 976 CA GLU A 57 10.832 -6.316 -3.841 1.00 0.00 C ATOM 977 C GLU A 57 11.875 -7.467 -3.656 1.00 0.00 C ATOM 978 O GLU A 57 11.494 -8.605 -3.370 1.00 0.00 O ATOM 979 CB GLU A 57 10.739 -5.963 -5.355 1.00 0.00 C ATOM 980 CG GLU A 57 9.413 -5.325 -5.810 1.00 0.00 C ATOM 981 CD GLU A 57 9.282 -5.214 -7.334 1.00 0.00 C ATOM 982 OE1 GLU A 57 8.408 -5.788 -7.982 1.00 0.00 O ATOM 983 OE2 GLU A 57 10.243 -4.404 -7.886 1.00 0.00 O ATOM 0 H GLU A 57 11.141 -4.251 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 57 9.876 -6.684 -3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.553 -5.281 -5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.900 -6.873 -5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.583 -5.916 -5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.328 -4.331 -5.372 1.00 0.00 H new ATOM 991 N LYS A 58 13.166 -7.140 -3.845 1.00 0.00 N ATOM 992 CA LYS A 58 14.298 -8.083 -3.640 1.00 0.00 C ATOM 993 C LYS A 58 15.403 -7.301 -2.864 1.00 0.00 C ATOM 994 O LYS A 58 16.450 -6.938 -3.412 1.00 0.00 O ATOM 995 CB LYS A 58 14.736 -8.673 -5.010 1.00 0.00 C ATOM 996 CG LYS A 58 15.742 -9.841 -4.911 1.00 0.00 C ATOM 997 CD LYS A 58 16.167 -10.384 -6.293 1.00 0.00 C ATOM 998 CE LYS A 58 17.149 -11.572 -6.250 1.00 0.00 C ATOM 999 NZ LYS A 58 18.499 -11.197 -5.783 1.00 0.00 N ATOM 0 H LYS A 58 13.463 -6.212 -4.146 1.00 0.00 H new ATOM 0 HA LYS A 58 14.034 -8.953 -3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.850 -9.017 -5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.180 -7.878 -5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.627 -9.507 -4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.298 -10.649 -4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.274 -10.690 -6.837 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.625 -9.574 -6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.746 -12.344 -5.594 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.225 -12.008 -7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.110 -12.038 -5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.901 -10.482 -6.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.438 -10.807 -4.821 1.00 0.00 H new ATOM 1012 N ARG A 59 15.127 -7.052 -1.570 1.00 0.00 N ATOM 1013 CA ARG A 59 16.011 -6.269 -0.664 1.00 0.00 C ATOM 1014 C ARG A 59 16.205 -6.999 0.692 1.00 0.00 C ATOM 1015 O ARG A 59 15.443 -7.877 1.113 1.00 0.00 O ATOM 1016 CB ARG A 59 15.366 -4.865 -0.499 1.00 0.00 C ATOM 1017 CG ARG A 59 16.038 -3.791 0.387 1.00 0.00 C ATOM 1018 CD ARG A 59 15.302 -2.440 0.304 1.00 0.00 C ATOM 1019 NE ARG A 59 15.836 -1.456 1.273 1.00 0.00 N ATOM 1020 CZ ARG A 59 15.278 -0.255 1.521 1.00 0.00 C ATOM 1021 NH1 ARG A 59 14.181 0.197 0.912 1.00 0.00 N ATOM 1022 NH2 ARG A 59 15.849 0.521 2.422 1.00 0.00 N ATOM 0 H ARG A 59 14.279 -7.388 -1.113 1.00 0.00 H new ATOM 0 HA ARG A 59 17.011 -6.164 -1.084 1.00 0.00 H new ATOM 0 HB2 ARG A 59 15.262 -4.440 -1.497 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.359 -5.017 -0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 59 16.056 -4.132 1.422 1.00 0.00 H new ATOM 0 HG3 ARG A 59 17.075 -3.660 0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.392 -2.040 -0.706 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.239 -2.594 0.492 1.00 0.00 H new ATOM 0 HE ARG A 59 16.682 -1.704 1.786 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.713 -0.378 0.211 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.810 1.118 1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.689 0.206 2.908 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.451 1.436 2.633 1.00 0.00 H new ATOM 1035 N ILE A 60 17.282 -6.565 1.355 1.00 0.00 N ATOM 1036 CA ILE A 60 17.669 -7.031 2.712 1.00 0.00 C ATOM 1037 C ILE A 60 17.617 -5.749 3.592 1.00 0.00 C ATOM 1038 O ILE A 60 16.585 -5.436 4.194 1.00 0.00 O ATOM 1039 CB ILE A 60 18.968 -7.931 2.741 1.00 0.00 C ATOM 1040 CG1 ILE A 60 18.916 -9.204 1.833 1.00 0.00 C ATOM 1041 CG2 ILE A 60 19.290 -8.386 4.189 1.00 0.00 C ATOM 1042 CD1 ILE A 60 19.349 -8.997 0.371 1.00 0.00 C ATOM 0 H ILE A 60 17.924 -5.872 0.969 1.00 0.00 H new ATOM 0 HA ILE A 60 16.986 -7.766 3.138 1.00 0.00 H new ATOM 0 HB ILE A 60 19.747 -7.284 2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 60 19.552 -9.970 2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 60 17.897 -9.592 1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 60 20.188 -9.004 4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 60 19.455 -7.511 4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 60 18.454 -8.963 4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 60 19.275 -9.942 -0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 60 18.700 -8.259 -0.100 1.00 0.00 H new ATOM 0 HD13 ILE A 60 20.380 -8.644 0.343 1.00 0.00 H new ATOM 1054 N ASP A 61 18.741 -5.029 3.629 1.00 0.00 N ATOM 1055 CA ASP A 61 18.908 -3.771 4.404 1.00 0.00 C ATOM 1056 C ASP A 61 19.936 -2.887 3.646 1.00 0.00 C ATOM 1057 O ASP A 61 21.118 -3.239 3.552 1.00 0.00 O ATOM 1058 CB ASP A 61 19.391 -4.022 5.863 1.00 0.00 C ATOM 1059 CG ASP A 61 18.364 -4.676 6.799 1.00 0.00 C ATOM 1060 OD1 ASP A 61 18.378 -5.872 7.087 1.00 0.00 O ATOM 1061 OD2 ASP A 61 17.436 -3.779 7.260 1.00 0.00 O ATOM 0 H ASP A 61 19.581 -5.298 3.117 1.00 0.00 H new ATOM 0 HA ASP A 61 17.940 -3.277 4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 61 20.279 -4.653 5.829 1.00 0.00 H new ATOM 0 HB3 ASP A 61 19.694 -3.068 6.295 1.00 0.00 H new ATOM 1067 N ILE A 62 19.478 -1.737 3.112 1.00 0.00 N ATOM 1068 CA ILE A 62 20.353 -0.771 2.392 1.00 0.00 C ATOM 1069 C ILE A 62 19.800 0.645 2.688 1.00 0.00 C ATOM 1070 O ILE A 62 18.943 1.210 2.010 1.00 0.00 O ATOM 1071 CB ILE A 62 20.594 -1.133 0.880 1.00 0.00 C ATOM 1072 CG1 ILE A 62 21.689 -0.227 0.243 1.00 0.00 C ATOM 1073 CG2 ILE A 62 19.313 -1.189 0.006 1.00 0.00 C ATOM 1074 CD1 ILE A 62 22.292 -0.735 -1.077 1.00 0.00 C ATOM 1075 OXT ILE A 62 20.379 1.200 3.802 1.00 0.00 O ATOM 0 H ILE A 62 18.501 -1.447 3.163 1.00 0.00 H new ATOM 0 HA ILE A 62 21.377 -0.817 2.763 1.00 0.00 H new ATOM 0 HB ILE A 62 20.959 -2.160 0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 62 21.261 0.760 0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 62 22.496 -0.102 0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 62 19.582 -1.446 -1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 62 18.635 -1.944 0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 62 18.821 -0.216 0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 62 23.042 -0.028 -1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 62 22.758 -1.707 -0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 62 21.504 -0.831 -1.824 1.00 0.00 H new TER 1088 ILE A 62