USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 491 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 44 ASN : amide:sc= 1.61 K(o=2.7,f=-1.5) USER MOD Set 1.2: A 48 GLN : amide:sc= 1.08 K(o=2.7,f=0.68) USER MOD Set 2.1: A 1 MET N :NH3+ 180:sc= 0.516 (180deg=-0.0838) USER MOD Set 2.2: A 3 SER OG : rot -109:sc= 0.632 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0294 (180deg=-0.344) USER MOD Single : A 9 GLN : amide:sc= 0.905 K(o=0.91,f=-0.019) USER MOD Single : A 10 LYS NZ :NH3+ 170:sc= 0.502 (180deg=0.298) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 176:sc=-0.000496 (180deg=-0.0508) USER MOD Single : A 22 SER OG : rot 78:sc= 0.71 USER MOD Single : A 23 THR OG1 : rot -80:sc= 1.29 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 82:sc= 2.39 USER MOD Single : A 32 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 33 SER OG : rot -76:sc= 1.16 USER MOD Single : A 35 LYS NZ :NH3+ -171:sc=-0.00965 (180deg=-0.125) USER MOD Single : A 36 SER OG : rot 80:sc= 1.15 USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 0.323 (180deg=0.312) USER MOD Single : A 40 THR OG1 : rot 78:sc= 1.27 USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0152) USER MOD Single : A 45 LYS NZ :NH3+ 141:sc= 0.497 (180deg=0.177) USER MOD Single : A 46 MET CE :methyl -165:sc= -0.0297 (180deg=-0.39) USER MOD Single : A 47 GLN : amide:sc= 0.347 X(o=0.35,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -43:sc= 0.742 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 0.593 (180deg=0.59) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.822 10.014 10.667 1.00 0.00 N ATOM 2 CA MET A 1 -15.685 10.500 9.902 1.00 0.00 C ATOM 3 C MET A 1 -14.810 9.319 9.499 1.00 0.00 C ATOM 4 O MET A 1 -14.595 9.079 8.315 1.00 0.00 O ATOM 5 CB MET A 1 -14.874 11.517 10.711 1.00 0.00 C ATOM 6 CG MET A 1 -15.657 12.812 10.956 1.00 0.00 C ATOM 7 SD MET A 1 -14.723 14.131 11.778 1.00 0.00 S ATOM 8 CE MET A 1 -13.458 14.482 10.532 1.00 0.00 C ATOM 0 H1 MET A 1 -17.422 10.817 10.944 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.375 9.353 10.085 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.483 9.524 11.520 1.00 0.00 H new ATOM 0 HA MET A 1 -16.049 11.004 9.007 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.592 11.077 11.668 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.950 11.747 10.181 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.019 13.186 9.998 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.535 12.579 11.559 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.976 15.433 10.761 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.712 13.687 10.536 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.923 14.538 9.548 1.00 0.00 H new ATOM 18 N ALA A 2 -14.345 8.551 10.488 1.00 0.00 N ATOM 19 CA ALA A 2 -13.627 7.306 10.245 1.00 0.00 C ATOM 20 C ALA A 2 -14.446 6.395 9.327 1.00 0.00 C ATOM 21 O ALA A 2 -13.900 5.743 8.443 1.00 0.00 O ATOM 22 CB ALA A 2 -13.311 6.620 11.575 1.00 0.00 C ATOM 0 H ALA A 2 -14.457 8.778 11.476 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.684 7.524 9.744 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.774 5.690 11.386 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.693 7.278 12.186 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.240 6.402 12.102 1.00 0.00 H new ATOM 28 N SER A 3 -15.766 6.394 9.519 1.00 0.00 N ATOM 29 CA SER A 3 -16.742 5.777 8.642 1.00 0.00 C ATOM 30 C SER A 3 -16.521 6.220 7.193 1.00 0.00 C ATOM 31 O SER A 3 -16.245 5.408 6.314 1.00 0.00 O ATOM 32 CB SER A 3 -18.119 6.229 9.143 1.00 0.00 C ATOM 33 OG SER A 3 -18.065 7.607 9.500 1.00 0.00 O ATOM 0 H SER A 3 -16.195 6.845 10.327 1.00 0.00 H new ATOM 0 HA SER A 3 -16.655 4.691 8.658 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.869 6.072 8.368 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.419 5.631 10.003 1.00 0.00 H new ATOM 0 HG SER A 3 -18.120 7.695 10.474 1.00 0.00 H new ATOM 39 N VAL A 4 -16.663 7.524 6.953 1.00 0.00 N ATOM 40 CA VAL A 4 -16.509 8.126 5.635 1.00 0.00 C ATOM 41 C VAL A 4 -15.159 7.723 5.033 1.00 0.00 C ATOM 42 O VAL A 4 -15.110 7.184 3.928 1.00 0.00 O ATOM 43 CB VAL A 4 -16.685 9.655 5.724 1.00 0.00 C ATOM 44 CG1 VAL A 4 -16.525 10.307 4.345 1.00 0.00 C ATOM 45 CG2 VAL A 4 -18.065 10.017 6.291 1.00 0.00 C ATOM 0 H VAL A 4 -16.892 8.199 7.682 1.00 0.00 H new ATOM 0 HA VAL A 4 -17.286 7.755 4.966 1.00 0.00 H new ATOM 0 HB VAL A 4 -15.911 10.032 6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -16.654 11.386 4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -15.531 10.092 3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -17.277 9.908 3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -18.164 11.101 6.344 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -18.842 9.613 5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -18.170 9.594 7.290 1.00 0.00 H new ATOM 55 N LEU A 5 -14.070 7.957 5.771 1.00 0.00 N ATOM 56 CA LEU A 5 -12.724 7.596 5.344 1.00 0.00 C ATOM 57 C LEU A 5 -12.659 6.119 4.942 1.00 0.00 C ATOM 58 O LEU A 5 -12.174 5.796 3.859 1.00 0.00 O ATOM 59 CB LEU A 5 -11.707 7.912 6.453 1.00 0.00 C ATOM 60 CG LEU A 5 -11.576 9.407 6.801 1.00 0.00 C ATOM 61 CD1 LEU A 5 -10.610 9.564 7.981 1.00 0.00 C ATOM 62 CD2 LEU A 5 -11.052 10.230 5.619 1.00 0.00 C ATOM 0 H LEU A 5 -14.103 8.405 6.687 1.00 0.00 H new ATOM 0 HA LEU A 5 -12.468 8.191 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.991 7.367 7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.730 7.537 6.148 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.569 9.778 7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.512 10.620 8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.996 9.020 8.843 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.634 9.164 7.707 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.976 11.278 5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.068 9.862 5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -11.739 10.136 4.778 1.00 0.00 H new ATOM 74 N GLU A 6 -13.161 5.224 5.797 1.00 0.00 N ATOM 75 CA GLU A 6 -13.199 3.792 5.538 1.00 0.00 C ATOM 76 C GLU A 6 -13.930 3.502 4.225 1.00 0.00 C ATOM 77 O GLU A 6 -13.402 2.795 3.372 1.00 0.00 O ATOM 78 CB GLU A 6 -13.840 3.070 6.732 1.00 0.00 C ATOM 79 CG GLU A 6 -13.862 1.545 6.565 1.00 0.00 C ATOM 80 CD GLU A 6 -14.468 0.876 7.795 1.00 0.00 C ATOM 81 OE1 GLU A 6 -15.686 1.066 8.002 1.00 0.00 O ATOM 82 OE2 GLU A 6 -13.701 0.199 8.514 1.00 0.00 O ATOM 0 H GLU A 6 -13.557 5.483 6.701 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.183 3.413 5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.293 3.323 7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.860 3.431 6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.439 1.280 5.679 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.848 1.177 6.407 1.00 0.00 H new ATOM 89 N GLU A 7 -15.140 4.039 4.052 1.00 0.00 N ATOM 90 CA GLU A 7 -15.923 3.805 2.845 1.00 0.00 C ATOM 91 C GLU A 7 -15.177 4.296 1.600 1.00 0.00 C ATOM 92 O GLU A 7 -15.064 3.566 0.615 1.00 0.00 O ATOM 93 CB GLU A 7 -17.308 4.456 2.972 1.00 0.00 C ATOM 94 CG GLU A 7 -18.167 3.794 4.061 1.00 0.00 C ATOM 95 CD GLU A 7 -18.481 2.335 3.744 1.00 0.00 C ATOM 96 OE1 GLU A 7 -19.359 2.121 2.880 1.00 0.00 O ATOM 97 OE2 GLU A 7 -17.827 1.462 4.354 1.00 0.00 O ATOM 0 H GLU A 7 -15.597 4.640 4.738 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.068 2.731 2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.189 5.515 3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.826 4.392 2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.646 3.852 5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.099 4.348 4.172 1.00 0.00 H new ATOM 104 N LEU A 8 -14.653 5.524 1.638 1.00 0.00 N ATOM 105 CA LEU A 8 -13.877 6.063 0.526 1.00 0.00 C ATOM 106 C LEU A 8 -12.680 5.151 0.228 1.00 0.00 C ATOM 107 O LEU A 8 -12.446 4.793 -0.925 1.00 0.00 O ATOM 108 CB LEU A 8 -13.424 7.500 0.826 1.00 0.00 C ATOM 109 CG LEU A 8 -14.581 8.506 0.954 1.00 0.00 C ATOM 110 CD1 LEU A 8 -14.031 9.795 1.569 1.00 0.00 C ATOM 111 CD2 LEU A 8 -15.227 8.843 -0.396 1.00 0.00 C ATOM 0 H LEU A 8 -14.754 6.161 2.428 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.509 6.096 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.849 7.503 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.753 7.832 0.033 1.00 0.00 H new ATOM 0 HG LEU A 8 -15.350 8.052 1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.836 10.523 1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.613 9.579 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.252 10.202 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.037 9.557 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.479 9.278 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.625 7.934 -0.846 1.00 0.00 H new ATOM 123 N GLN A 9 -11.933 4.753 1.261 1.00 0.00 N ATOM 124 CA GLN A 9 -10.793 3.859 1.123 1.00 0.00 C ATOM 125 C GLN A 9 -11.215 2.531 0.488 1.00 0.00 C ATOM 126 O GLN A 9 -10.530 2.031 -0.403 1.00 0.00 O ATOM 127 CB GLN A 9 -10.124 3.655 2.491 1.00 0.00 C ATOM 128 CG GLN A 9 -8.953 2.659 2.480 1.00 0.00 C ATOM 129 CD GLN A 9 -7.813 3.088 1.561 1.00 0.00 C ATOM 130 OE1 GLN A 9 -6.835 3.676 2.009 1.00 0.00 O ATOM 131 NE2 GLN A 9 -7.916 2.793 0.268 1.00 0.00 N ATOM 0 H GLN A 9 -12.108 5.047 2.222 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.061 4.312 0.454 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.763 4.618 2.853 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.874 3.308 3.201 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.571 2.545 3.494 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.318 1.681 2.165 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.740 2.303 -0.079 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.170 3.057 -0.376 1.00 0.00 H new ATOM 140 N LYS A 10 -12.316 1.944 0.954 1.00 0.00 N ATOM 141 CA LYS A 10 -12.851 0.699 0.427 1.00 0.00 C ATOM 142 C LYS A 10 -13.157 0.863 -1.063 1.00 0.00 C ATOM 143 O LYS A 10 -12.698 0.067 -1.883 1.00 0.00 O ATOM 144 CB LYS A 10 -14.069 0.288 1.270 1.00 0.00 C ATOM 145 CG LYS A 10 -14.740 -1.026 0.843 1.00 0.00 C ATOM 146 CD LYS A 10 -15.869 -0.796 -0.172 1.00 0.00 C ATOM 147 CE LYS A 10 -16.670 -2.086 -0.385 1.00 0.00 C ATOM 148 NZ LYS A 10 -17.806 -1.861 -1.295 1.00 0.00 N ATOM 0 H LYS A 10 -12.867 2.330 1.721 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.125 -0.111 0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.758 0.198 2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.809 1.087 1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.992 -1.690 0.408 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.141 -1.530 1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.530 -0.005 0.183 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -15.450 -0.460 -1.121 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -16.019 -2.858 -0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.036 -2.453 0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.228 -2.775 -1.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.520 -1.273 -0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.473 -1.376 -2.153 1.00 0.00 H new ATOM 162 N ASP A 11 -13.902 1.910 -1.427 1.00 0.00 N ATOM 163 CA ASP A 11 -14.218 2.179 -2.825 1.00 0.00 C ATOM 164 C ASP A 11 -12.933 2.335 -3.647 1.00 0.00 C ATOM 165 O ASP A 11 -12.792 1.739 -4.712 1.00 0.00 O ATOM 166 CB ASP A 11 -15.122 3.411 -2.938 1.00 0.00 C ATOM 167 CG ASP A 11 -15.643 3.565 -4.363 1.00 0.00 C ATOM 168 OD1 ASP A 11 -14.903 4.153 -5.178 1.00 0.00 O ATOM 169 OD2 ASP A 11 -16.765 3.076 -4.614 1.00 0.00 O ATOM 0 H ASP A 11 -14.296 2.583 -0.770 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.765 1.330 -3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.960 3.319 -2.247 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.567 4.304 -2.649 1.00 0.00 H new ATOM 174 N LEU A 12 -11.971 3.104 -3.132 1.00 0.00 N ATOM 175 CA LEU A 12 -10.671 3.296 -3.755 1.00 0.00 C ATOM 176 C LEU A 12 -9.943 1.956 -3.925 1.00 0.00 C ATOM 177 O LEU A 12 -9.324 1.713 -4.957 1.00 0.00 O ATOM 178 CB LEU A 12 -9.867 4.330 -2.951 1.00 0.00 C ATOM 179 CG LEU A 12 -8.609 4.831 -3.683 1.00 0.00 C ATOM 180 CD1 LEU A 12 -8.362 6.305 -3.338 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.364 4.027 -3.291 1.00 0.00 C ATOM 0 H LEU A 12 -12.081 3.616 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.795 3.694 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.509 5.181 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.573 3.889 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.783 4.707 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.471 6.656 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.221 6.900 -3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.219 6.408 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.498 4.412 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.195 4.119 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.513 2.978 -3.546 1.00 0.00 H new ATOM 193 N GLU A 13 -10.016 1.067 -2.932 1.00 0.00 N ATOM 194 CA GLU A 13 -9.432 -0.263 -3.030 1.00 0.00 C ATOM 195 C GLU A 13 -10.094 -1.051 -4.164 1.00 0.00 C ATOM 196 O GLU A 13 -9.400 -1.621 -5.007 1.00 0.00 O ATOM 197 CB GLU A 13 -9.524 -0.978 -1.675 1.00 0.00 C ATOM 198 CG GLU A 13 -8.704 -2.273 -1.666 1.00 0.00 C ATOM 199 CD GLU A 13 -8.717 -2.914 -0.283 1.00 0.00 C ATOM 200 OE1 GLU A 13 -9.763 -3.509 0.056 1.00 0.00 O ATOM 201 OE2 GLU A 13 -7.689 -2.781 0.416 1.00 0.00 O ATOM 0 H GLU A 13 -10.480 1.252 -2.043 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.374 -0.184 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.167 -0.315 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.567 -1.205 -1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.110 -2.971 -2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.677 -2.060 -1.963 1.00 0.00 H new ATOM 208 N GLU A 14 -11.430 -1.065 -4.206 1.00 0.00 N ATOM 209 CA GLU A 14 -12.154 -1.687 -5.310 1.00 0.00 C ATOM 210 C GLU A 14 -11.685 -1.107 -6.648 1.00 0.00 C ATOM 211 O GLU A 14 -11.423 -1.859 -7.585 1.00 0.00 O ATOM 212 CB GLU A 14 -13.671 -1.541 -5.133 1.00 0.00 C ATOM 213 CG GLU A 14 -14.176 -2.348 -3.929 1.00 0.00 C ATOM 214 CD GLU A 14 -15.691 -2.246 -3.781 1.00 0.00 C ATOM 215 OE1 GLU A 14 -16.175 -1.102 -3.635 1.00 0.00 O ATOM 216 OE2 GLU A 14 -16.342 -3.312 -3.802 1.00 0.00 O ATOM 0 H GLU A 14 -12.027 -0.653 -3.489 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.933 -2.754 -5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.923 -0.489 -4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.178 -1.878 -6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.891 -3.394 -4.045 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.696 -1.986 -3.020 1.00 0.00 H new ATOM 223 N VAL A 15 -11.552 0.221 -6.733 1.00 0.00 N ATOM 224 CA VAL A 15 -10.971 0.876 -7.896 1.00 0.00 C ATOM 225 C VAL A 15 -9.611 0.267 -8.219 1.00 0.00 C ATOM 226 O VAL A 15 -9.452 -0.236 -9.324 1.00 0.00 O ATOM 227 CB VAL A 15 -10.931 2.406 -7.724 1.00 0.00 C ATOM 228 CG1 VAL A 15 -9.961 3.118 -8.674 1.00 0.00 C ATOM 229 CG2 VAL A 15 -12.328 2.961 -7.981 1.00 0.00 C ATOM 0 H VAL A 15 -11.845 0.864 -5.998 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.612 0.698 -8.759 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.582 2.592 -6.708 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.993 4.192 -8.489 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.949 2.750 -8.504 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.251 2.919 -9.706 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -12.316 4.045 -7.863 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.638 2.710 -8.995 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.029 2.526 -7.269 1.00 0.00 H new ATOM 239 N LYS A 16 -8.646 0.280 -7.292 1.00 0.00 N ATOM 240 CA LYS A 16 -7.324 -0.293 -7.546 1.00 0.00 C ATOM 241 C LYS A 16 -7.439 -1.709 -8.121 1.00 0.00 C ATOM 242 O LYS A 16 -6.877 -1.994 -9.179 1.00 0.00 O ATOM 243 CB LYS A 16 -6.454 -0.288 -6.281 1.00 0.00 C ATOM 244 CG LYS A 16 -6.037 1.132 -5.875 1.00 0.00 C ATOM 245 CD LYS A 16 -4.955 1.126 -4.784 1.00 0.00 C ATOM 246 CE LYS A 16 -5.433 0.477 -3.479 1.00 0.00 C ATOM 247 NZ LYS A 16 -4.413 0.583 -2.422 1.00 0.00 N ATOM 0 H LYS A 16 -8.758 0.681 -6.361 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.833 0.337 -8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.003 -0.753 -5.462 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.563 -0.893 -6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.666 1.665 -6.750 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.910 1.677 -5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.078 0.592 -5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.643 2.151 -4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.354 0.957 -3.148 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.667 -0.573 -3.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.766 0.135 -1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.543 0.103 -2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.208 1.586 -2.236 1.00 0.00 H new ATOM 261 N VAL A 17 -8.200 -2.581 -7.454 1.00 0.00 N ATOM 262 CA VAL A 17 -8.431 -3.941 -7.930 1.00 0.00 C ATOM 263 C VAL A 17 -8.936 -3.923 -9.379 1.00 0.00 C ATOM 264 O VAL A 17 -8.372 -4.601 -10.241 1.00 0.00 O ATOM 265 CB VAL A 17 -9.377 -4.682 -6.967 1.00 0.00 C ATOM 266 CG1 VAL A 17 -9.811 -6.043 -7.527 1.00 0.00 C ATOM 267 CG2 VAL A 17 -8.686 -4.914 -5.615 1.00 0.00 C ATOM 0 H VAL A 17 -8.669 -2.363 -6.575 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.492 -4.494 -7.939 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.259 -4.054 -6.843 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.477 -6.533 -6.817 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.332 -5.898 -8.473 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.932 -6.667 -7.689 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.366 -5.439 -4.944 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.788 -5.514 -5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.413 -3.954 -5.177 1.00 0.00 H new ATOM 277 N LEU A 18 -9.981 -3.140 -9.667 1.00 0.00 N ATOM 278 CA LEU A 18 -10.500 -3.014 -11.022 1.00 0.00 C ATOM 279 C LEU A 18 -9.434 -2.523 -12.000 1.00 0.00 C ATOM 280 O LEU A 18 -9.353 -3.070 -13.098 1.00 0.00 O ATOM 281 CB LEU A 18 -11.721 -2.085 -11.094 1.00 0.00 C ATOM 282 CG LEU A 18 -13.069 -2.683 -10.660 1.00 0.00 C ATOM 283 CD1 LEU A 18 -14.168 -1.736 -11.160 1.00 0.00 C ATOM 284 CD2 LEU A 18 -13.342 -4.076 -11.243 1.00 0.00 C ATOM 0 H LEU A 18 -10.482 -2.585 -8.973 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.810 -4.018 -11.313 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.521 -1.211 -10.474 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.820 -1.732 -12.120 1.00 0.00 H new ATOM 0 HG LEU A 18 -13.050 -2.791 -9.576 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -15.144 -2.126 -10.871 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.027 -0.749 -10.719 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.115 -1.659 -12.246 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -14.310 -4.433 -10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.347 -4.020 -12.332 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.562 -4.765 -10.919 1.00 0.00 H new ATOM 296 N LEU A 19 -8.653 -1.498 -11.643 1.00 0.00 N ATOM 297 CA LEU A 19 -7.599 -0.965 -12.498 1.00 0.00 C ATOM 298 C LEU A 19 -6.628 -2.092 -12.854 1.00 0.00 C ATOM 299 O LEU A 19 -6.330 -2.318 -14.024 1.00 0.00 O ATOM 300 CB LEU A 19 -6.817 0.180 -11.821 1.00 0.00 C ATOM 301 CG LEU A 19 -7.561 1.448 -11.369 1.00 0.00 C ATOM 302 CD1 LEU A 19 -6.542 2.581 -11.223 1.00 0.00 C ATOM 303 CD2 LEU A 19 -8.664 1.910 -12.317 1.00 0.00 C ATOM 0 H LEU A 19 -8.738 -1.016 -10.748 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.072 -0.558 -13.392 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.323 -0.238 -10.944 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.033 0.491 -12.511 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.051 1.197 -10.428 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.052 3.490 -10.903 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.794 2.304 -10.481 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.054 2.757 -12.182 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.133 2.809 -11.918 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.235 2.128 -13.295 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.412 1.123 -12.415 1.00 0.00 H new ATOM 315 N GLU A 20 -6.134 -2.791 -11.829 1.00 0.00 N ATOM 316 CA GLU A 20 -5.170 -3.869 -11.983 1.00 0.00 C ATOM 317 C GLU A 20 -5.724 -4.951 -12.913 1.00 0.00 C ATOM 318 O GLU A 20 -5.087 -5.302 -13.906 1.00 0.00 O ATOM 319 CB GLU A 20 -4.814 -4.443 -10.605 1.00 0.00 C ATOM 320 CG GLU A 20 -3.994 -3.448 -9.772 1.00 0.00 C ATOM 321 CD GLU A 20 -3.825 -3.942 -8.338 1.00 0.00 C ATOM 322 OE1 GLU A 20 -2.951 -4.815 -8.143 1.00 0.00 O ATOM 323 OE2 GLU A 20 -4.576 -3.450 -7.468 1.00 0.00 O ATOM 0 H GLU A 20 -6.399 -2.618 -10.859 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.260 -3.479 -12.438 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.728 -4.699 -10.070 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.248 -5.366 -10.730 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.015 -3.306 -10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.488 -2.477 -9.770 1.00 0.00 H new ATOM 330 N LYS A 21 -6.905 -5.486 -12.590 1.00 0.00 N ATOM 331 CA LYS A 21 -7.518 -6.536 -13.395 1.00 0.00 C ATOM 332 C LYS A 21 -7.765 -6.039 -14.821 1.00 0.00 C ATOM 333 O LYS A 21 -7.390 -6.681 -15.800 1.00 0.00 O ATOM 334 CB LYS A 21 -8.832 -6.997 -12.750 1.00 0.00 C ATOM 335 CG LYS A 21 -8.586 -7.734 -11.427 1.00 0.00 C ATOM 336 CD LYS A 21 -9.901 -8.078 -10.711 1.00 0.00 C ATOM 337 CE LYS A 21 -10.840 -8.986 -11.518 1.00 0.00 C ATOM 338 NZ LYS A 21 -10.177 -10.231 -11.945 1.00 0.00 N ATOM 0 H LYS A 21 -7.452 -5.206 -11.776 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.837 -7.385 -13.441 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.473 -6.133 -12.572 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.365 -7.653 -13.438 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.027 -8.650 -11.620 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.969 -7.115 -10.776 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.669 -8.565 -9.764 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.425 -7.152 -10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.714 -9.230 -10.915 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.198 -8.448 -12.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.866 -10.843 -12.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.399 -10.004 -12.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.798 -10.726 -11.112 1.00 0.00 H new ATOM 352 N SER A 22 -8.408 -4.883 -14.947 1.00 0.00 N ATOM 353 CA SER A 22 -8.832 -4.310 -16.214 1.00 0.00 C ATOM 354 C SER A 22 -7.719 -3.437 -16.789 1.00 0.00 C ATOM 355 O SER A 22 -7.959 -2.308 -17.217 1.00 0.00 O ATOM 356 CB SER A 22 -10.137 -3.531 -16.001 1.00 0.00 C ATOM 357 OG SER A 22 -10.988 -4.179 -15.068 1.00 0.00 O ATOM 0 H SER A 22 -8.655 -4.304 -14.145 1.00 0.00 H new ATOM 0 HA SER A 22 -9.028 -5.097 -16.942 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.907 -2.526 -15.647 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.656 -3.423 -16.953 1.00 0.00 H new ATOM 0 HG SER A 22 -10.669 -4.004 -14.158 1.00 0.00 H new ATOM 363 N THR A 23 -6.508 -3.997 -16.847 1.00 0.00 N ATOM 364 CA THR A 23 -5.319 -3.353 -17.386 1.00 0.00 C ATOM 365 C THR A 23 -5.482 -3.023 -18.876 1.00 0.00 C ATOM 366 O THR A 23 -4.750 -2.206 -19.432 1.00 0.00 O ATOM 367 CB THR A 23 -4.098 -4.256 -17.125 1.00 0.00 C ATOM 368 OG1 THR A 23 -4.502 -5.520 -16.624 1.00 0.00 O ATOM 369 CG2 THR A 23 -3.145 -3.611 -16.115 1.00 0.00 C ATOM 0 H THR A 23 -6.328 -4.942 -16.508 1.00 0.00 H new ATOM 0 HA THR A 23 -5.166 -2.399 -16.881 1.00 0.00 H new ATOM 0 HB THR A 23 -3.584 -4.387 -18.077 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.691 -5.447 -15.665 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.292 -4.269 -15.948 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.796 -2.655 -16.504 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.668 -3.450 -15.172 1.00 0.00 H new ATOM 377 N ARG A 24 -6.456 -3.650 -19.533 1.00 0.00 N ATOM 378 CA ARG A 24 -6.786 -3.426 -20.922 1.00 0.00 C ATOM 379 C ARG A 24 -7.511 -2.084 -21.092 1.00 0.00 C ATOM 380 O ARG A 24 -8.705 -2.070 -21.381 1.00 0.00 O ATOM 381 CB ARG A 24 -7.660 -4.601 -21.392 1.00 0.00 C ATOM 382 CG ARG A 24 -6.900 -5.927 -21.545 1.00 0.00 C ATOM 383 CD ARG A 24 -6.301 -6.575 -20.283 1.00 0.00 C ATOM 384 NE ARG A 24 -7.224 -6.696 -19.142 1.00 0.00 N ATOM 385 CZ ARG A 24 -8.270 -7.530 -19.056 1.00 0.00 C ATOM 386 NH1 ARG A 24 -8.706 -8.209 -20.122 1.00 0.00 N ATOM 387 NH2 ARG A 24 -8.864 -7.701 -17.872 1.00 0.00 N ATOM 0 H ARG A 24 -7.052 -4.350 -19.090 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.882 -3.376 -21.529 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.474 -4.741 -20.681 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.114 -4.342 -22.349 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.579 -6.649 -21.999 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.087 -5.765 -22.253 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.937 -7.569 -20.542 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.436 -5.991 -19.970 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.051 -6.088 -18.342 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.241 -8.098 -21.023 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.504 -8.838 -20.034 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.520 -7.201 -17.052 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.661 -8.332 -17.788 1.00 0.00 H new ATOM 401 N LYS A 25 -6.791 -0.968 -20.905 1.00 0.00 N ATOM 402 CA LYS A 25 -7.201 0.438 -21.055 1.00 0.00 C ATOM 403 C LYS A 25 -8.312 0.933 -20.107 1.00 0.00 C ATOM 404 O LYS A 25 -8.244 2.069 -19.634 1.00 0.00 O ATOM 405 CB LYS A 25 -7.406 0.859 -22.522 1.00 0.00 C ATOM 406 CG LYS A 25 -8.580 0.198 -23.256 1.00 0.00 C ATOM 407 CD LYS A 25 -8.857 0.927 -24.576 1.00 0.00 C ATOM 408 CE LYS A 25 -10.024 0.261 -25.314 1.00 0.00 C ATOM 409 NZ LYS A 25 -10.318 0.949 -26.583 1.00 0.00 N ATOM 0 H LYS A 25 -5.814 -1.032 -20.618 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.329 0.985 -20.697 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.547 1.939 -22.552 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.491 0.641 -23.073 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.352 -0.850 -23.452 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.470 0.219 -22.627 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.091 1.973 -24.380 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.965 0.912 -25.202 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.783 -0.784 -25.512 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.910 0.269 -24.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.112 0.475 -27.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.571 1.939 -26.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.479 0.919 -27.197 1.00 0.00 H new ATOM 423 N ARG A 26 -9.304 0.088 -19.807 1.00 0.00 N ATOM 424 CA ARG A 26 -10.398 0.271 -18.855 1.00 0.00 C ATOM 425 C ARG A 26 -10.003 1.094 -17.626 1.00 0.00 C ATOM 426 O ARG A 26 -10.820 1.871 -17.127 1.00 0.00 O ATOM 427 CB ARG A 26 -10.888 -1.116 -18.409 1.00 0.00 C ATOM 428 CG ARG A 26 -12.305 -1.478 -18.879 1.00 0.00 C ATOM 429 CD ARG A 26 -13.432 -0.723 -18.153 1.00 0.00 C ATOM 430 NE ARG A 26 -13.261 -0.695 -16.693 1.00 0.00 N ATOM 431 CZ ARG A 26 -13.045 -1.745 -15.889 1.00 0.00 C ATOM 432 NH1 ARG A 26 -13.234 -3.001 -16.299 1.00 0.00 N ATOM 433 NH2 ARG A 26 -12.587 -1.516 -14.660 1.00 0.00 N ATOM 0 H ARG A 26 -9.364 -0.821 -20.266 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.185 0.831 -19.360 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.193 -1.869 -18.781 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.857 -1.164 -17.321 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.381 -1.278 -19.948 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.456 -2.549 -18.743 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.476 0.300 -18.527 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.387 -1.191 -18.392 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.312 0.220 -16.245 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.552 -3.184 -17.251 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.060 -3.777 -15.661 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.410 -0.560 -14.352 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.414 -2.297 -14.027 1.00 0.00 H new ATOM 447 N LEU A 27 -8.777 0.906 -17.116 1.00 0.00 N ATOM 448 CA LEU A 27 -8.234 1.697 -16.016 1.00 0.00 C ATOM 449 C LEU A 27 -8.615 3.171 -16.145 1.00 0.00 C ATOM 450 O LEU A 27 -9.087 3.772 -15.186 1.00 0.00 O ATOM 451 CB LEU A 27 -6.699 1.636 -15.882 1.00 0.00 C ATOM 452 CG LEU A 27 -6.013 0.322 -16.264 1.00 0.00 C ATOM 453 CD1 LEU A 27 -5.825 0.226 -17.787 1.00 0.00 C ATOM 454 CD2 LEU A 27 -4.622 0.271 -15.621 1.00 0.00 C ATOM 0 H LEU A 27 -8.134 0.194 -17.462 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.676 1.244 -15.128 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.275 2.429 -16.497 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.441 1.863 -14.847 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.639 -0.500 -15.917 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.336 -0.716 -18.035 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.798 0.269 -18.277 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.208 1.056 -18.131 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.130 -0.664 -15.891 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.025 1.111 -15.977 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.720 0.330 -14.537 1.00 0.00 H new ATOM 466 N ARG A 28 -8.394 3.750 -17.329 1.00 0.00 N ATOM 467 CA ARG A 28 -8.612 5.167 -17.586 1.00 0.00 C ATOM 468 C ARG A 28 -10.062 5.532 -17.267 1.00 0.00 C ATOM 469 O ARG A 28 -10.334 6.435 -16.472 1.00 0.00 O ATOM 470 CB ARG A 28 -8.282 5.480 -19.053 1.00 0.00 C ATOM 471 CG ARG A 28 -6.811 5.202 -19.390 1.00 0.00 C ATOM 472 CD ARG A 28 -6.555 5.468 -20.877 1.00 0.00 C ATOM 473 NE ARG A 28 -5.167 5.153 -21.237 1.00 0.00 N ATOM 474 CZ ARG A 28 -4.646 5.305 -22.463 1.00 0.00 C ATOM 475 NH1 ARG A 28 -5.396 5.786 -23.461 1.00 0.00 N ATOM 476 NH2 ARG A 28 -3.370 4.972 -22.683 1.00 0.00 N ATOM 0 H ARG A 28 -8.055 3.237 -18.143 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.958 5.761 -16.948 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.921 4.882 -19.703 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.508 6.526 -19.259 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.164 5.835 -18.782 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.563 4.168 -19.149 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.236 4.867 -21.480 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.765 6.513 -21.105 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.556 4.793 -20.503 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.369 6.039 -23.291 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.994 5.900 -24.392 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.800 4.605 -21.921 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.967 5.085 -23.613 1.00 0.00 H new ATOM 490 N ASP A 29 -10.987 4.806 -17.896 1.00 0.00 N ATOM 491 CA ASP A 29 -12.423 4.979 -17.744 1.00 0.00 C ATOM 492 C ASP A 29 -12.789 4.890 -16.264 1.00 0.00 C ATOM 493 O ASP A 29 -13.395 5.805 -15.701 1.00 0.00 O ATOM 494 CB ASP A 29 -13.157 3.894 -18.552 1.00 0.00 C ATOM 495 CG ASP A 29 -12.736 3.878 -20.017 1.00 0.00 C ATOM 496 OD1 ASP A 29 -11.623 3.368 -20.275 1.00 0.00 O ATOM 497 OD2 ASP A 29 -13.526 4.375 -20.848 1.00 0.00 O ATOM 0 H ASP A 29 -10.744 4.058 -18.546 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.723 5.957 -18.120 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -12.959 2.918 -18.109 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.232 4.061 -18.487 1.00 0.00 H new ATOM 502 N THR A 30 -12.391 3.777 -15.645 1.00 0.00 N ATOM 503 CA THR A 30 -12.655 3.462 -14.248 1.00 0.00 C ATOM 504 C THR A 30 -12.199 4.612 -13.353 1.00 0.00 C ATOM 505 O THR A 30 -12.986 5.161 -12.585 1.00 0.00 O ATOM 506 CB THR A 30 -11.929 2.160 -13.879 1.00 0.00 C ATOM 507 OG1 THR A 30 -12.204 1.162 -14.835 1.00 0.00 O ATOM 508 CG2 THR A 30 -12.345 1.636 -12.503 1.00 0.00 C ATOM 0 H THR A 30 -11.859 3.049 -16.122 1.00 0.00 H new ATOM 0 HA THR A 30 -13.726 3.325 -14.099 1.00 0.00 H new ATOM 0 HB THR A 30 -10.864 2.390 -13.857 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.616 1.280 -15.610 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.805 0.714 -12.286 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.110 2.381 -11.743 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.417 1.439 -12.498 1.00 0.00 H new ATOM 516 N LEU A 31 -10.918 4.969 -13.466 1.00 0.00 N ATOM 517 CA LEU A 31 -10.281 6.013 -12.689 1.00 0.00 C ATOM 518 C LEU A 31 -11.067 7.306 -12.851 1.00 0.00 C ATOM 519 O LEU A 31 -11.545 7.854 -11.862 1.00 0.00 O ATOM 520 CB LEU A 31 -8.813 6.135 -13.130 1.00 0.00 C ATOM 521 CG LEU A 31 -7.974 7.132 -12.310 1.00 0.00 C ATOM 522 CD1 LEU A 31 -6.494 6.757 -12.442 1.00 0.00 C ATOM 523 CD2 LEU A 31 -8.144 8.584 -12.784 1.00 0.00 C ATOM 0 H LEU A 31 -10.282 4.519 -14.125 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.279 5.774 -11.625 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.347 5.152 -13.068 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.787 6.435 -14.178 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.319 7.074 -11.278 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.889 7.456 -11.865 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.340 5.746 -12.064 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.200 6.801 -13.491 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.529 9.242 -12.170 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.833 8.665 -13.826 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.190 8.876 -12.693 1.00 0.00 H new ATOM 535 N THR A 32 -11.213 7.787 -14.088 1.00 0.00 N ATOM 536 CA THR A 32 -11.856 9.067 -14.352 1.00 0.00 C ATOM 537 C THR A 32 -13.255 9.100 -13.727 1.00 0.00 C ATOM 538 O THR A 32 -13.580 10.001 -12.950 1.00 0.00 O ATOM 539 CB THR A 32 -11.889 9.332 -15.867 1.00 0.00 C ATOM 540 OG1 THR A 32 -10.595 9.174 -16.415 1.00 0.00 O ATOM 541 CG2 THR A 32 -12.352 10.760 -16.167 1.00 0.00 C ATOM 0 H THR A 32 -10.890 7.302 -14.925 1.00 0.00 H new ATOM 0 HA THR A 32 -11.280 9.868 -13.889 1.00 0.00 H new ATOM 0 HB THR A 32 -12.586 8.619 -16.308 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.415 8.222 -16.559 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.366 10.919 -17.245 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.354 10.909 -15.765 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.666 11.470 -15.704 1.00 0.00 H new ATOM 549 N SER A 33 -14.084 8.106 -14.060 1.00 0.00 N ATOM 550 CA SER A 33 -15.452 8.056 -13.575 1.00 0.00 C ATOM 551 C SER A 33 -15.486 7.977 -12.047 1.00 0.00 C ATOM 552 O SER A 33 -16.052 8.850 -11.389 1.00 0.00 O ATOM 553 CB SER A 33 -16.205 6.889 -14.227 1.00 0.00 C ATOM 554 OG SER A 33 -15.552 5.658 -13.993 1.00 0.00 O ATOM 0 H SER A 33 -13.824 7.327 -14.665 1.00 0.00 H new ATOM 0 HA SER A 33 -15.960 8.978 -13.859 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.220 6.844 -13.833 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.286 7.061 -15.300 1.00 0.00 H new ATOM 0 HG SER A 33 -14.763 5.591 -14.571 1.00 0.00 H new ATOM 560 N GLU A 34 -14.896 6.923 -11.480 1.00 0.00 N ATOM 561 CA GLU A 34 -15.049 6.626 -10.068 1.00 0.00 C ATOM 562 C GLU A 34 -14.332 7.653 -9.190 1.00 0.00 C ATOM 563 O GLU A 34 -14.886 8.054 -8.170 1.00 0.00 O ATOM 564 CB GLU A 34 -14.640 5.176 -9.777 1.00 0.00 C ATOM 565 CG GLU A 34 -15.151 4.692 -8.407 1.00 0.00 C ATOM 566 CD GLU A 34 -16.671 4.755 -8.261 1.00 0.00 C ATOM 567 OE1 GLU A 34 -17.351 4.285 -9.199 1.00 0.00 O ATOM 568 OE2 GLU A 34 -17.128 5.283 -7.225 1.00 0.00 O ATOM 0 H GLU A 34 -14.306 6.262 -11.986 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.103 6.712 -9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.031 4.526 -10.559 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.554 5.093 -9.808 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -14.822 3.665 -8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.694 5.297 -7.624 1.00 0.00 H new ATOM 575 N LYS A 35 -13.135 8.119 -9.572 1.00 0.00 N ATOM 576 CA LYS A 35 -12.445 9.158 -8.811 1.00 0.00 C ATOM 577 C LYS A 35 -13.358 10.371 -8.625 1.00 0.00 C ATOM 578 O LYS A 35 -13.436 10.921 -7.526 1.00 0.00 O ATOM 579 CB LYS A 35 -11.114 9.548 -9.471 1.00 0.00 C ATOM 580 CG LYS A 35 -10.343 10.567 -8.617 1.00 0.00 C ATOM 581 CD LYS A 35 -9.003 10.982 -9.241 1.00 0.00 C ATOM 582 CE LYS A 35 -7.982 9.842 -9.341 1.00 0.00 C ATOM 583 NZ LYS A 35 -7.682 9.248 -8.026 1.00 0.00 N ATOM 0 H LYS A 35 -12.632 7.793 -10.397 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.204 8.759 -7.826 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.503 8.657 -9.617 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.305 9.969 -10.458 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.961 11.454 -8.474 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.162 10.142 -7.630 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.186 11.380 -10.239 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.573 11.790 -8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.366 9.070 -10.008 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.061 10.219 -9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.881 8.590 -8.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.437 10.002 -7.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.516 8.732 -7.680 1.00 0.00 H new ATOM 597 N SER A 36 -14.066 10.773 -9.685 1.00 0.00 N ATOM 598 CA SER A 36 -15.024 11.862 -9.585 1.00 0.00 C ATOM 599 C SER A 36 -16.040 11.579 -8.471 1.00 0.00 C ATOM 600 O SER A 36 -16.277 12.437 -7.624 1.00 0.00 O ATOM 601 CB SER A 36 -15.709 12.109 -10.933 1.00 0.00 C ATOM 602 OG SER A 36 -14.745 12.320 -11.947 1.00 0.00 O ATOM 0 H SER A 36 -13.990 10.359 -10.614 1.00 0.00 H new ATOM 0 HA SER A 36 -14.491 12.776 -9.322 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.336 11.255 -11.191 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.365 12.976 -10.861 1.00 0.00 H new ATOM 0 HG SER A 36 -14.386 11.457 -12.241 1.00 0.00 H new ATOM 608 N LYS A 37 -16.624 10.376 -8.450 1.00 0.00 N ATOM 609 CA LYS A 37 -17.578 9.981 -7.418 1.00 0.00 C ATOM 610 C LYS A 37 -16.940 10.033 -6.027 1.00 0.00 C ATOM 611 O LYS A 37 -17.514 10.624 -5.116 1.00 0.00 O ATOM 612 CB LYS A 37 -18.166 8.588 -7.690 1.00 0.00 C ATOM 613 CG LYS A 37 -18.644 8.357 -9.129 1.00 0.00 C ATOM 614 CD LYS A 37 -19.682 9.381 -9.610 1.00 0.00 C ATOM 615 CE LYS A 37 -20.005 9.162 -11.093 1.00 0.00 C ATOM 616 NZ LYS A 37 -18.878 9.549 -11.962 1.00 0.00 N ATOM 0 H LYS A 37 -16.447 9.653 -9.148 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.398 10.699 -7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.412 7.838 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -19.005 8.426 -7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.783 8.386 -9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.072 7.357 -9.204 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.592 9.292 -9.016 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -19.302 10.391 -9.460 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.250 8.113 -11.261 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.888 9.742 -11.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.164 9.467 -12.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.605 10.532 -11.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.069 8.921 -11.781 1.00 0.00 H new ATOM 630 N ILE A 38 -15.758 9.431 -5.857 1.00 0.00 N ATOM 631 CA ILE A 38 -15.020 9.439 -4.595 1.00 0.00 C ATOM 632 C ILE A 38 -14.878 10.884 -4.099 1.00 0.00 C ATOM 633 O ILE A 38 -15.288 11.209 -2.983 1.00 0.00 O ATOM 634 CB ILE A 38 -13.657 8.729 -4.772 1.00 0.00 C ATOM 635 CG1 ILE A 38 -13.867 7.225 -5.038 1.00 0.00 C ATOM 636 CG2 ILE A 38 -12.737 8.897 -3.552 1.00 0.00 C ATOM 637 CD1 ILE A 38 -12.567 6.497 -5.400 1.00 0.00 C ATOM 0 H ILE A 38 -15.284 8.920 -6.602 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.566 8.883 -3.833 1.00 0.00 H new ATOM 0 HB ILE A 38 -13.171 9.202 -5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -14.303 6.762 -4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.585 7.101 -5.849 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.795 8.378 -3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.542 9.957 -3.387 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.221 8.475 -2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.778 5.442 -5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.142 6.938 -6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.856 6.593 -4.580 1.00 0.00 H new ATOM 649 N GLU A 39 -14.313 11.757 -4.937 1.00 0.00 N ATOM 650 CA GLU A 39 -14.110 13.159 -4.602 1.00 0.00 C ATOM 651 C GLU A 39 -15.439 13.841 -4.266 1.00 0.00 C ATOM 652 O GLU A 39 -15.539 14.539 -3.258 1.00 0.00 O ATOM 653 CB GLU A 39 -13.387 13.864 -5.755 1.00 0.00 C ATOM 654 CG GLU A 39 -11.933 13.375 -5.861 1.00 0.00 C ATOM 655 CD GLU A 39 -11.185 13.980 -7.047 1.00 0.00 C ATOM 656 OE1 GLU A 39 -11.818 14.744 -7.807 1.00 0.00 O ATOM 657 OE2 GLU A 39 -9.983 13.661 -7.171 1.00 0.00 O ATOM 0 H GLU A 39 -13.984 11.505 -5.869 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.485 13.226 -3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.910 13.672 -6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.403 14.942 -5.597 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.404 13.622 -4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.926 12.289 -5.950 1.00 0.00 H new ATOM 664 N THR A 40 -16.463 13.627 -5.095 1.00 0.00 N ATOM 665 CA THR A 40 -17.798 14.165 -4.873 1.00 0.00 C ATOM 666 C THR A 40 -18.313 13.761 -3.490 1.00 0.00 C ATOM 667 O THR A 40 -18.762 14.615 -2.732 1.00 0.00 O ATOM 668 CB THR A 40 -18.740 13.714 -6.002 1.00 0.00 C ATOM 669 OG1 THR A 40 -18.268 14.223 -7.231 1.00 0.00 O ATOM 670 CG2 THR A 40 -20.171 14.218 -5.820 1.00 0.00 C ATOM 0 H THR A 40 -16.383 13.070 -5.946 1.00 0.00 H new ATOM 0 HA THR A 40 -17.760 15.254 -4.893 1.00 0.00 H new ATOM 0 HB THR A 40 -18.752 12.624 -5.983 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.513 13.681 -7.541 1.00 0.00 H new ATOM 0 HG21 THR A 40 -20.788 13.868 -6.647 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.574 13.839 -4.881 1.00 0.00 H new ATOM 0 HG23 THR A 40 -20.173 15.308 -5.802 1.00 0.00 H new ATOM 678 N GLU A 41 -18.246 12.472 -3.148 1.00 0.00 N ATOM 679 CA GLU A 41 -18.706 11.985 -1.858 1.00 0.00 C ATOM 680 C GLU A 41 -17.886 12.574 -0.715 1.00 0.00 C ATOM 681 O GLU A 41 -18.460 13.016 0.275 1.00 0.00 O ATOM 682 CB GLU A 41 -18.733 10.452 -1.824 1.00 0.00 C ATOM 683 CG GLU A 41 -20.022 9.923 -2.469 1.00 0.00 C ATOM 684 CD GLU A 41 -21.243 10.198 -1.588 1.00 0.00 C ATOM 685 OE1 GLU A 41 -21.462 9.387 -0.663 1.00 0.00 O ATOM 686 OE2 GLU A 41 -21.916 11.227 -1.827 1.00 0.00 O ATOM 0 H GLU A 41 -17.872 11.745 -3.758 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.731 12.326 -1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.866 10.055 -2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.666 10.104 -0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.162 10.392 -3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.930 8.851 -2.641 1.00 0.00 H new ATOM 693 N LEU A 42 -16.559 12.601 -0.840 1.00 0.00 N ATOM 694 CA LEU A 42 -15.709 13.257 0.145 1.00 0.00 C ATOM 695 C LEU A 42 -16.188 14.700 0.380 1.00 0.00 C ATOM 696 O LEU A 42 -16.481 15.090 1.510 1.00 0.00 O ATOM 697 CB LEU A 42 -14.246 13.162 -0.321 1.00 0.00 C ATOM 698 CG LEU A 42 -13.240 13.938 0.542 1.00 0.00 C ATOM 699 CD1 LEU A 42 -13.212 13.446 1.993 1.00 0.00 C ATOM 700 CD2 LEU A 42 -11.842 13.800 -0.068 1.00 0.00 C ATOM 0 H LEU A 42 -16.052 12.175 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.775 12.758 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.953 12.112 -0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.182 13.528 -1.346 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.554 14.982 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.485 14.027 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.200 13.567 2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.931 12.393 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.124 14.349 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.561 12.747 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.845 14.205 -1.080 1.00 0.00 H new ATOM 712 N LYS A 43 -16.299 15.489 -0.692 1.00 0.00 N ATOM 713 CA LYS A 43 -16.726 16.882 -0.618 1.00 0.00 C ATOM 714 C LYS A 43 -18.123 17.011 -0.009 1.00 0.00 C ATOM 715 O LYS A 43 -18.344 17.865 0.851 1.00 0.00 O ATOM 716 CB LYS A 43 -16.651 17.532 -2.011 1.00 0.00 C ATOM 717 CG LYS A 43 -15.370 18.359 -2.179 1.00 0.00 C ATOM 718 CD LYS A 43 -14.092 17.511 -2.089 1.00 0.00 C ATOM 719 CE LYS A 43 -12.884 18.397 -1.769 1.00 0.00 C ATOM 720 NZ LYS A 43 -12.633 19.392 -2.827 1.00 0.00 N ATOM 0 H LYS A 43 -16.093 15.174 -1.640 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.045 17.415 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.688 16.758 -2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.520 18.172 -2.162 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.396 18.866 -3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.341 19.133 -1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.207 16.750 -1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.928 16.988 -3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.051 18.910 -0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.000 17.772 -1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.750 19.902 -2.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.549 18.909 -3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.423 20.068 -2.863 1.00 0.00 H new ATOM 734 N ASN A 44 -19.069 16.194 -0.471 1.00 0.00 N ATOM 735 CA ASN A 44 -20.418 16.103 0.073 1.00 0.00 C ATOM 736 C ASN A 44 -20.335 15.914 1.583 1.00 0.00 C ATOM 737 O ASN A 44 -20.778 16.781 2.324 1.00 0.00 O ATOM 738 CB ASN A 44 -21.161 14.951 -0.624 1.00 0.00 C ATOM 739 CG ASN A 44 -22.476 14.543 0.035 1.00 0.00 C ATOM 740 OD1 ASN A 44 -23.044 15.267 0.846 1.00 0.00 O ATOM 741 ND2 ASN A 44 -22.971 13.350 -0.285 1.00 0.00 N ATOM 0 H ASN A 44 -18.911 15.561 -1.255 1.00 0.00 H new ATOM 0 HA ASN A 44 -20.979 17.019 -0.113 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -21.363 15.239 -1.656 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -20.504 14.082 -0.658 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -23.836 13.024 0.146 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -22.485 12.761 -0.962 1.00 0.00 H new ATOM 748 N LYS A 45 -19.747 14.807 2.039 1.00 0.00 N ATOM 749 CA LYS A 45 -19.681 14.474 3.453 1.00 0.00 C ATOM 750 C LYS A 45 -19.016 15.587 4.271 1.00 0.00 C ATOM 751 O LYS A 45 -19.539 15.948 5.323 1.00 0.00 O ATOM 752 CB LYS A 45 -19.002 13.110 3.648 1.00 0.00 C ATOM 753 CG LYS A 45 -19.996 11.935 3.607 1.00 0.00 C ATOM 754 CD LYS A 45 -20.856 11.867 2.335 1.00 0.00 C ATOM 755 CE LYS A 45 -21.846 10.697 2.385 1.00 0.00 C ATOM 756 NZ LYS A 45 -21.168 9.395 2.256 1.00 0.00 N ATOM 0 H LYS A 45 -19.303 14.118 1.432 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.699 14.392 3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.250 12.970 2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.479 13.104 4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.440 11.003 3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -20.655 12.004 4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -21.403 12.802 2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -20.210 11.761 1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -22.396 10.728 3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.577 10.806 1.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -21.617 8.705 2.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -21.243 9.060 1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -20.165 9.499 2.510 1.00 0.00 H new ATOM 770 N MET A 46 -17.890 16.149 3.814 1.00 0.00 N ATOM 771 CA MET A 46 -17.257 17.244 4.547 1.00 0.00 C ATOM 772 C MET A 46 -18.190 18.457 4.653 1.00 0.00 C ATOM 773 O MET A 46 -18.427 18.974 5.744 1.00 0.00 O ATOM 774 CB MET A 46 -15.928 17.647 3.895 1.00 0.00 C ATOM 775 CG MET A 46 -14.851 16.568 4.058 1.00 0.00 C ATOM 776 SD MET A 46 -13.169 17.071 3.607 1.00 0.00 S ATOM 777 CE MET A 46 -13.440 17.767 1.964 1.00 0.00 C ATOM 0 H MET A 46 -17.410 15.869 2.959 1.00 0.00 H new ATOM 0 HA MET A 46 -17.051 16.886 5.556 1.00 0.00 H new ATOM 0 HB2 MET A 46 -16.089 17.839 2.834 1.00 0.00 H new ATOM 0 HB3 MET A 46 -15.576 18.579 4.338 1.00 0.00 H new ATOM 0 HG2 MET A 46 -14.847 16.238 5.097 1.00 0.00 H new ATOM 0 HG3 MET A 46 -15.129 15.707 3.451 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.484 17.873 1.452 1.00 0.00 H new ATOM 0 HE2 MET A 46 -14.088 17.104 1.390 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.912 18.745 2.057 1.00 0.00 H new ATOM 787 N GLN A 47 -18.693 18.940 3.515 1.00 0.00 N ATOM 788 CA GLN A 47 -19.477 20.170 3.475 1.00 0.00 C ATOM 789 C GLN A 47 -20.875 19.998 4.081 1.00 0.00 C ATOM 790 O GLN A 47 -21.465 20.984 4.516 1.00 0.00 O ATOM 791 CB GLN A 47 -19.595 20.650 2.025 1.00 0.00 C ATOM 792 CG GLN A 47 -18.231 21.041 1.436 1.00 0.00 C ATOM 793 CD GLN A 47 -18.323 21.232 -0.072 1.00 0.00 C ATOM 794 OE1 GLN A 47 -18.079 22.313 -0.596 1.00 0.00 O ATOM 795 NE2 GLN A 47 -18.683 20.169 -0.780 1.00 0.00 N ATOM 0 H GLN A 47 -18.569 18.493 2.606 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.955 20.911 4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -20.040 19.862 1.417 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.268 21.506 1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -17.880 21.962 1.902 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -17.497 20.268 1.664 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -18.878 19.285 -0.310 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -18.764 20.236 -1.795 1.00 0.00 H new ATOM 804 N GLN A 48 -21.402 18.768 4.078 1.00 0.00 N ATOM 805 CA GLN A 48 -22.779 18.402 4.395 1.00 0.00 C ATOM 806 C GLN A 48 -23.424 19.265 5.484 1.00 0.00 C ATOM 807 O GLN A 48 -24.513 19.796 5.281 1.00 0.00 O ATOM 808 CB GLN A 48 -22.867 16.905 4.749 1.00 0.00 C ATOM 809 CG GLN A 48 -24.150 16.276 4.194 1.00 0.00 C ATOM 810 CD GLN A 48 -24.134 14.760 4.354 1.00 0.00 C ATOM 811 OE1 GLN A 48 -24.475 14.234 5.407 1.00 0.00 O ATOM 812 NE2 GLN A 48 -23.739 14.038 3.309 1.00 0.00 N ATOM 0 H GLN A 48 -20.838 17.953 3.838 1.00 0.00 H new ATOM 0 HA GLN A 48 -23.359 18.598 3.493 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -21.999 16.382 4.346 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -22.838 16.783 5.832 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.015 16.690 4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.257 16.532 3.140 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -23.461 14.502 2.444 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -23.715 13.020 3.372 1.00 0.00 H new ATOM 821 N LYS A 49 -22.764 19.378 6.642 1.00 0.00 N ATOM 822 CA LYS A 49 -23.221 20.224 7.732 1.00 0.00 C ATOM 823 C LYS A 49 -22.739 21.660 7.488 1.00 0.00 C ATOM 824 O LYS A 49 -23.492 22.484 6.981 1.00 0.00 O ATOM 825 CB LYS A 49 -22.768 19.620 9.073 1.00 0.00 C ATOM 826 CG LYS A 49 -23.335 20.390 10.276 1.00 0.00 C ATOM 827 CD LYS A 49 -23.042 19.684 11.607 1.00 0.00 C ATOM 828 CE LYS A 49 -21.550 19.698 11.962 1.00 0.00 C ATOM 829 NZ LYS A 49 -21.313 19.118 13.296 1.00 0.00 N ATOM 0 H LYS A 49 -21.896 18.881 6.843 1.00 0.00 H new ATOM 0 HA LYS A 49 -24.309 20.269 7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -23.086 18.579 9.127 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -21.679 19.623 9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -22.908 21.393 10.297 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -24.412 20.504 10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -23.607 20.168 12.404 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -23.390 18.652 11.552 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -20.990 19.136 11.214 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -21.177 20.722 11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.295 19.141 13.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -21.829 19.670 14.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -21.648 18.133 13.311 1.00 0.00 H new ATOM 843 N SER A 50 -21.494 21.963 7.879 1.00 0.00 N ATOM 844 CA SER A 50 -20.783 23.221 7.644 1.00 0.00 C ATOM 845 C SER A 50 -21.610 24.502 7.864 1.00 0.00 C ATOM 846 O SER A 50 -21.326 25.518 7.230 1.00 0.00 O ATOM 847 CB SER A 50 -20.165 23.188 6.238 1.00 0.00 C ATOM 848 OG SER A 50 -19.249 24.253 6.076 1.00 0.00 O ATOM 0 H SER A 50 -20.925 21.295 8.399 1.00 0.00 H new ATOM 0 HA SER A 50 -20.008 23.283 8.408 1.00 0.00 H new ATOM 0 HB2 SER A 50 -19.658 22.236 6.079 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.951 23.259 5.487 1.00 0.00 H new ATOM 0 HG SER A 50 -19.633 25.074 6.449 1.00 0.00 H new ATOM 854 N GLN A 51 -22.611 24.472 8.752 1.00 0.00 N ATOM 855 CA GLN A 51 -23.571 25.559 8.943 1.00 0.00 C ATOM 856 C GLN A 51 -24.131 26.062 7.600 1.00 0.00 C ATOM 857 O GLN A 51 -24.349 27.258 7.415 1.00 0.00 O ATOM 858 CB GLN A 51 -22.940 26.690 9.773 1.00 0.00 C ATOM 859 CG GLN A 51 -22.446 26.193 11.140 1.00 0.00 C ATOM 860 CD GLN A 51 -21.817 27.315 11.960 1.00 0.00 C ATOM 861 OE1 GLN A 51 -20.636 27.268 12.287 1.00 0.00 O ATOM 862 NE2 GLN A 51 -22.597 28.334 12.309 1.00 0.00 N ATOM 0 H GLN A 51 -22.777 23.676 9.368 1.00 0.00 H new ATOM 0 HA GLN A 51 -24.422 25.173 9.504 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -22.105 27.123 9.221 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -23.672 27.485 9.919 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -23.281 25.763 11.693 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -21.716 25.397 10.995 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -23.576 28.348 12.024 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -22.216 29.102 12.862 1.00 0.00 H new ATOM 871 N LYS A 52 -24.358 25.141 6.659 1.00 0.00 N ATOM 872 CA LYS A 52 -24.794 25.461 5.312 1.00 0.00 C ATOM 873 C LYS A 52 -26.209 26.048 5.347 1.00 0.00 C ATOM 874 O LYS A 52 -27.088 25.535 6.039 1.00 0.00 O ATOM 875 CB LYS A 52 -24.698 24.191 4.448 1.00 0.00 C ATOM 876 CG LYS A 52 -25.178 24.353 2.999 1.00 0.00 C ATOM 877 CD LYS A 52 -24.308 25.312 2.173 1.00 0.00 C ATOM 878 CE LYS A 52 -25.016 25.718 0.875 1.00 0.00 C ATOM 879 NZ LYS A 52 -25.328 24.559 0.021 1.00 0.00 N ATOM 0 H LYS A 52 -24.240 24.141 6.821 1.00 0.00 H new ATOM 0 HA LYS A 52 -24.152 26.220 4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.661 23.856 4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -25.282 23.402 4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -25.188 23.376 2.516 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -26.205 24.718 3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -24.082 26.201 2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -23.357 24.835 1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -25.938 26.247 1.117 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -24.385 26.414 0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -25.851 24.878 -0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -24.444 24.098 -0.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -25.910 23.882 0.554 1.00 0.00 H new ATOM 893 N LYS A 53 -26.437 27.126 4.593 1.00 0.00 N ATOM 894 CA LYS A 53 -27.754 27.732 4.477 1.00 0.00 C ATOM 895 C LYS A 53 -28.705 26.745 3.785 1.00 0.00 C ATOM 896 O LYS A 53 -28.294 26.083 2.830 1.00 0.00 O ATOM 897 CB LYS A 53 -27.656 29.040 3.681 1.00 0.00 C ATOM 898 CG LYS A 53 -26.822 30.092 4.427 1.00 0.00 C ATOM 899 CD LYS A 53 -26.577 31.348 3.579 1.00 0.00 C ATOM 900 CE LYS A 53 -27.874 32.093 3.241 1.00 0.00 C ATOM 901 NZ LYS A 53 -27.596 33.360 2.545 1.00 0.00 N ATOM 0 H LYS A 53 -25.713 27.597 4.050 1.00 0.00 H new ATOM 0 HA LYS A 53 -28.144 27.963 5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -27.207 28.842 2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -28.657 29.431 3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -27.333 30.372 5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -25.865 29.657 4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -25.906 32.019 4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -26.073 31.065 2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -28.506 31.463 2.615 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -28.431 32.293 4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -28.492 33.842 2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -27.013 33.970 3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -27.086 33.165 1.660 1.00 0.00 H new ATOM 915 N PRO A 54 -29.968 26.639 4.226 1.00 0.00 N ATOM 916 CA PRO A 54 -30.940 25.710 3.665 1.00 0.00 C ATOM 917 C PRO A 54 -31.436 26.206 2.299 1.00 0.00 C ATOM 918 O PRO A 54 -32.598 26.572 2.138 1.00 0.00 O ATOM 919 CB PRO A 54 -32.052 25.628 4.717 1.00 0.00 C ATOM 920 CG PRO A 54 -32.027 27.021 5.347 1.00 0.00 C ATOM 921 CD PRO A 54 -30.538 27.358 5.354 1.00 0.00 C ATOM 0 HA PRO A 54 -30.525 24.722 3.467 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -33.019 25.405 4.266 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -31.856 24.848 5.453 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -32.602 27.740 4.764 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -32.447 27.018 6.353 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -30.379 28.432 5.255 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -30.071 27.052 6.290 1.00 0.00 H new ATOM 929 N GLU A 55 -30.554 26.210 1.297 1.00 0.00 N ATOM 930 CA GLU A 55 -30.883 26.618 -0.060 1.00 0.00 C ATOM 931 C GLU A 55 -32.048 25.777 -0.591 1.00 0.00 C ATOM 932 O GLU A 55 -31.848 24.861 -1.388 1.00 0.00 O ATOM 933 CB GLU A 55 -29.637 26.504 -0.952 1.00 0.00 C ATOM 934 CG GLU A 55 -28.525 27.465 -0.504 1.00 0.00 C ATOM 935 CD GLU A 55 -27.294 27.380 -1.403 1.00 0.00 C ATOM 936 OE1 GLU A 55 -26.911 26.240 -1.745 1.00 0.00 O ATOM 937 OE2 GLU A 55 -26.746 28.458 -1.716 1.00 0.00 O ATOM 0 H GLU A 55 -29.581 25.926 1.412 1.00 0.00 H new ATOM 0 HA GLU A 55 -31.202 27.660 -0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -29.264 25.480 -0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -29.909 26.719 -1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -28.906 28.486 -0.508 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -28.240 27.235 0.523 1.00 0.00 H new TER 944 GLU A 55