USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 475 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 29 GLN : amide:sc= 0.86 K(o=0.86,f=-0.29) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 160:sc= 2.22 (180deg=2.05) USER MOD Single : A 32 CYS SG : rot -157:sc= -5.44! USER MOD Single : A 34 SER OG : rot 180:sc= 0.203 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= 0.27 K(o=0.27,f=-3.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -172:sc= 1.32 (180deg=1.11) USER MOD Single : A 54 ASN : amide:sc= 0.954 K(o=0.95,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 168:sc= 1.2 USER MOD Single : A 66 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.35) USER MOD Single : A 68 GLN : amide:sc= 0.108 K(o=0.11,f=-6.6!) USER MOD Single : A 71 MET CE :methyl -179:sc= 0 (180deg=-0.00306) USER MOD Single : A 77 LYS NZ :NH3+ 146:sc= 0.149 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N ASP A 23 -12.334 3.412 -2.083 1.00 0.00 N ATOM 20 CA ASP A 23 -12.331 2.000 -2.386 1.00 0.00 C ATOM 21 C ASP A 23 -10.893 1.497 -2.393 1.00 0.00 C ATOM 22 O ASP A 23 -10.082 1.877 -3.236 1.00 0.00 O ATOM 23 CB ASP A 23 -13.078 1.796 -3.711 1.00 0.00 C ATOM 24 CG ASP A 23 -14.484 2.395 -3.668 1.00 0.00 C ATOM 25 OD1 ASP A 23 -14.570 3.610 -3.365 1.00 0.00 O ATOM 26 OD2 ASP A 23 -15.445 1.635 -3.901 1.00 0.00 O ATOM 0 HA ASP A 23 -12.852 1.410 -1.632 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.512 2.255 -4.522 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.143 0.730 -3.931 1.00 0.00 H new ATOM 31 N ALA A 24 -10.564 0.693 -1.383 1.00 0.00 N ATOM 32 CA ALA A 24 -9.195 0.417 -0.995 1.00 0.00 C ATOM 33 C ALA A 24 -8.337 -0.097 -2.145 1.00 0.00 C ATOM 34 O ALA A 24 -7.269 0.449 -2.424 1.00 0.00 O ATOM 35 CB ALA A 24 -9.196 -0.567 0.159 1.00 0.00 C ATOM 0 H ALA A 24 -11.255 0.212 -0.808 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.742 1.359 -0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.169 -0.780 0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.737 -0.138 1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.683 -1.492 -0.152 1.00 0.00 H new ATOM 41 N GLU A 25 -8.799 -1.150 -2.824 1.00 0.00 N ATOM 42 CA GLU A 25 -8.050 -1.659 -3.956 1.00 0.00 C ATOM 43 C GLU A 25 -7.957 -0.580 -5.032 1.00 0.00 C ATOM 44 O GLU A 25 -6.898 -0.418 -5.616 1.00 0.00 O ATOM 45 CB GLU A 25 -8.617 -2.986 -4.473 1.00 0.00 C ATOM 46 CG GLU A 25 -9.767 -2.822 -5.468 1.00 0.00 C ATOM 47 CD GLU A 25 -10.357 -4.177 -5.824 1.00 0.00 C ATOM 48 OE1 GLU A 25 -9.578 -5.007 -6.340 1.00 0.00 O ATOM 49 OE2 GLU A 25 -11.561 -4.363 -5.551 1.00 0.00 O ATOM 0 H GLU A 25 -9.663 -1.649 -2.612 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.035 -1.895 -3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.816 -3.552 -4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.964 -3.577 -3.625 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.539 -2.183 -5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.408 -2.326 -6.370 1.00 0.00 H new ATOM 56 N ALA A 26 -9.032 0.180 -5.278 1.00 0.00 N ATOM 57 CA ALA A 26 -9.075 1.188 -6.331 1.00 0.00 C ATOM 58 C ALA A 26 -7.998 2.253 -6.125 1.00 0.00 C ATOM 59 O ALA A 26 -7.342 2.638 -7.090 1.00 0.00 O ATOM 60 CB ALA A 26 -10.460 1.828 -6.431 1.00 0.00 C ATOM 0 H ALA A 26 -9.899 0.108 -4.745 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.870 0.682 -7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.459 2.575 -7.225 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.200 1.060 -6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.709 2.306 -5.484 1.00 0.00 H new ATOM 66 N VAL A 27 -7.794 2.700 -4.877 1.00 0.00 N ATOM 67 CA VAL A 27 -6.607 3.476 -4.515 1.00 0.00 C ATOM 68 C VAL A 27 -5.395 2.751 -5.073 1.00 0.00 C ATOM 69 O VAL A 27 -4.733 3.282 -5.956 1.00 0.00 O ATOM 70 CB VAL A 27 -6.506 3.697 -2.991 1.00 0.00 C ATOM 71 CG1 VAL A 27 -5.247 4.499 -2.635 1.00 0.00 C ATOM 72 CG2 VAL A 27 -7.723 4.458 -2.452 1.00 0.00 C ATOM 0 H VAL A 27 -8.438 2.535 -4.104 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.668 4.475 -4.946 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.462 2.708 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.199 4.641 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.363 3.956 -2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.283 5.471 -3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.618 4.596 -1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.788 5.431 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.629 3.888 -2.658 1.00 0.00 H new ATOM 82 N VAL A 28 -5.081 1.547 -4.602 1.00 0.00 N ATOM 83 CA VAL A 28 -3.772 0.994 -4.895 1.00 0.00 C ATOM 84 C VAL A 28 -3.567 0.733 -6.388 1.00 0.00 C ATOM 85 O VAL A 28 -2.532 1.100 -6.956 1.00 0.00 O ATOM 86 CB VAL A 28 -3.516 -0.177 -3.939 1.00 0.00 C ATOM 87 CG1 VAL A 28 -2.152 -0.839 -4.135 1.00 0.00 C ATOM 88 CG2 VAL A 28 -3.618 0.381 -2.511 1.00 0.00 C ATOM 0 H VAL A 28 -5.692 0.958 -4.037 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.983 1.720 -4.697 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.254 -0.954 -4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.040 -1.659 -3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.078 -1.226 -5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.364 -0.105 -3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.442 -0.421 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.871 1.163 -2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.613 0.797 -2.353 1.00 0.00 H new ATOM 98 N GLN A 29 -4.618 0.210 -7.014 1.00 0.00 N ATOM 99 CA GLN A 29 -4.816 -0.016 -8.436 1.00 0.00 C ATOM 100 C GLN A 29 -4.796 1.277 -9.268 1.00 0.00 C ATOM 101 O GLN A 29 -4.932 1.207 -10.486 1.00 0.00 O ATOM 102 CB GLN A 29 -6.114 -0.834 -8.608 1.00 0.00 C ATOM 103 CG GLN A 29 -5.965 -2.263 -8.057 1.00 0.00 C ATOM 104 CD GLN A 29 -4.871 -3.042 -8.787 1.00 0.00 C ATOM 105 OE1 GLN A 29 -4.829 -3.060 -10.012 1.00 0.00 O ATOM 106 NE2 GLN A 29 -3.953 -3.658 -8.048 1.00 0.00 N ATOM 0 H GLN A 29 -5.432 -0.095 -6.480 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.974 -0.584 -8.833 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.932 -0.330 -8.094 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.379 -0.877 -9.664 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.732 -2.220 -6.993 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.914 -2.791 -8.154 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.013 -3.627 -7.030 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.189 -4.162 -8.499 1.00 0.00 H new ATOM 115 N GLN A 30 -4.594 2.446 -8.647 1.00 0.00 N ATOM 116 CA GLN A 30 -4.285 3.697 -9.335 1.00 0.00 C ATOM 117 C GLN A 30 -3.014 4.385 -8.804 1.00 0.00 C ATOM 118 O GLN A 30 -2.324 5.067 -9.558 1.00 0.00 O ATOM 119 CB GLN A 30 -5.500 4.631 -9.233 1.00 0.00 C ATOM 120 CG GLN A 30 -5.646 5.466 -10.512 1.00 0.00 C ATOM 121 CD GLN A 30 -6.854 6.396 -10.453 1.00 0.00 C ATOM 122 OE1 GLN A 30 -6.723 7.606 -10.599 1.00 0.00 O ATOM 123 NE2 GLN A 30 -8.044 5.841 -10.244 1.00 0.00 N ATOM 0 H GLN A 30 -4.643 2.546 -7.633 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.075 3.462 -10.379 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.404 4.044 -9.070 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.388 5.290 -8.372 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.742 6.055 -10.665 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.742 4.801 -11.370 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.122 4.831 -10.126 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.879 6.425 -10.202 1.00 0.00 H new ATOM 132 N LYS A 31 -2.736 4.260 -7.504 1.00 0.00 N ATOM 133 CA LYS A 31 -1.848 5.119 -6.734 1.00 0.00 C ATOM 134 C LYS A 31 -0.530 4.431 -6.371 1.00 0.00 C ATOM 135 O LYS A 31 0.422 5.118 -6.000 1.00 0.00 O ATOM 136 CB LYS A 31 -2.596 5.568 -5.461 1.00 0.00 C ATOM 137 CG LYS A 31 -3.515 6.778 -5.688 1.00 0.00 C ATOM 138 CD LYS A 31 -3.403 7.725 -4.483 1.00 0.00 C ATOM 139 CE LYS A 31 -4.144 9.050 -4.687 1.00 0.00 C ATOM 140 NZ LYS A 31 -4.099 9.866 -3.455 1.00 0.00 N ATOM 0 H LYS A 31 -3.147 3.519 -6.937 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.580 5.980 -7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.190 4.735 -5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.868 5.814 -4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.233 7.298 -6.603 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.547 6.449 -5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.800 7.226 -3.599 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.351 7.931 -4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.693 9.602 -5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.180 8.855 -4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.291 10.861 -3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.818 9.524 -2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.157 9.788 -3.021 1.00 0.00 H new ATOM 154 N CYS A 32 -0.480 3.096 -6.410 1.00 0.00 N ATOM 155 CA CYS A 32 0.665 2.334 -5.920 1.00 0.00 C ATOM 156 C CYS A 32 1.227 1.432 -7.016 1.00 0.00 C ATOM 157 O CYS A 32 2.448 1.319 -7.165 1.00 0.00 O ATOM 158 CB CYS A 32 0.242 1.503 -4.713 1.00 0.00 C ATOM 159 SG CYS A 32 -0.923 2.361 -3.598 1.00 0.00 S ATOM 0 H CYS A 32 -1.233 2.517 -6.782 1.00 0.00 H new ATOM 0 HA CYS A 32 1.450 3.029 -5.623 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.219 0.579 -5.063 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.131 1.222 -4.148 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.857 1.833 -2.412 1.00 0.00 H new ATOM 164 N ILE A 33 0.333 0.815 -7.805 1.00 0.00 N ATOM 165 CA ILE A 33 0.727 -0.009 -8.944 1.00 0.00 C ATOM 166 C ILE A 33 1.733 0.721 -9.842 1.00 0.00 C ATOM 167 O ILE A 33 2.575 0.086 -10.471 1.00 0.00 O ATOM 168 CB ILE A 33 -0.493 -0.483 -9.752 1.00 0.00 C ATOM 169 CG1 ILE A 33 -1.341 0.674 -10.309 1.00 0.00 C ATOM 170 CG2 ILE A 33 -1.340 -1.454 -8.922 1.00 0.00 C ATOM 171 CD1 ILE A 33 -2.230 0.210 -11.467 1.00 0.00 C ATOM 0 H ILE A 33 -0.676 0.877 -7.667 1.00 0.00 H new ATOM 0 HA ILE A 33 1.219 -0.895 -8.544 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.109 -1.011 -10.625 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.962 1.087 -9.514 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.686 1.476 -10.650 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.199 -1.780 -9.508 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.738 -2.320 -8.649 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.686 -0.953 -8.018 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.815 1.052 -11.836 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.606 -0.179 -12.272 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.902 -0.574 -11.118 1.00 0.00 H new ATOM 183 N SER A 34 1.661 2.055 -9.860 1.00 0.00 N ATOM 184 CA SER A 34 2.606 2.970 -10.466 1.00 0.00 C ATOM 185 C SER A 34 4.061 2.504 -10.328 1.00 0.00 C ATOM 186 O SER A 34 4.816 2.601 -11.293 1.00 0.00 O ATOM 187 CB SER A 34 2.394 4.334 -9.797 1.00 0.00 C ATOM 188 OG SER A 34 1.026 4.493 -9.442 1.00 0.00 O ATOM 0 H SER A 34 0.885 2.548 -9.419 1.00 0.00 H new ATOM 0 HA SER A 34 2.427 3.023 -11.540 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.021 4.414 -8.909 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.698 5.132 -10.475 1.00 0.00 H new ATOM 0 HG SER A 34 0.898 5.365 -9.014 1.00 0.00 H new ATOM 194 N CYS A 35 4.452 2.021 -9.139 1.00 0.00 N ATOM 195 CA CYS A 35 5.799 1.515 -8.875 1.00 0.00 C ATOM 196 C CYS A 35 5.754 0.034 -8.486 1.00 0.00 C ATOM 197 O CYS A 35 6.627 -0.743 -8.873 1.00 0.00 O ATOM 198 CB CYS A 35 6.512 2.365 -7.810 1.00 0.00 C ATOM 199 SG CYS A 35 6.207 4.139 -8.090 1.00 0.00 S ATOM 0 H CYS A 35 3.833 1.972 -8.329 1.00 0.00 H new ATOM 0 HA CYS A 35 6.382 1.597 -9.793 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.160 2.083 -6.818 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.583 2.167 -7.837 1.00 0.00 H new ATOM 0 HG CYS A 35 6.818 4.834 -7.177 1.00 0.00 H new ATOM 204 N HIS A 36 4.738 -0.377 -7.724 1.00 0.00 N ATOM 205 CA HIS A 36 4.626 -1.748 -7.247 1.00 0.00 C ATOM 206 C HIS A 36 4.121 -2.723 -8.323 1.00 0.00 C ATOM 207 O HIS A 36 4.183 -3.936 -8.120 1.00 0.00 O ATOM 208 CB HIS A 36 3.778 -1.758 -5.971 1.00 0.00 C ATOM 209 CG HIS A 36 4.488 -1.128 -4.797 1.00 0.00 C ATOM 210 ND1 HIS A 36 5.434 -1.755 -4.015 1.00 0.00 N ATOM 211 CD2 HIS A 36 4.300 0.137 -4.293 1.00 0.00 C ATOM 212 CE1 HIS A 36 5.781 -0.891 -3.047 1.00 0.00 C ATOM 213 NE2 HIS A 36 5.134 0.278 -3.178 1.00 0.00 N ATOM 0 H HIS A 36 3.976 0.231 -7.424 1.00 0.00 H new ATOM 0 HA HIS A 36 5.622 -2.120 -7.006 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.845 -1.225 -6.155 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.514 -2.786 -5.722 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.801 -2.697 -4.147 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.630 0.887 -4.686 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.491 -1.109 -2.263 1.00 0.00 H new ATOM 221 N GLY A 37 3.663 -2.229 -9.477 1.00 0.00 N ATOM 222 CA GLY A 37 3.163 -3.056 -10.568 1.00 0.00 C ATOM 223 C GLY A 37 1.714 -3.473 -10.315 1.00 0.00 C ATOM 224 O GLY A 37 1.289 -3.548 -9.166 1.00 0.00 O ATOM 0 H GLY A 37 3.631 -1.229 -9.678 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.229 -2.506 -11.507 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.788 -3.943 -10.674 1.00 0.00 H new ATOM 228 N GLY A 38 0.954 -3.735 -11.387 1.00 0.00 N ATOM 229 CA GLY A 38 -0.476 -4.049 -11.351 1.00 0.00 C ATOM 230 C GLY A 38 -0.859 -4.997 -10.214 1.00 0.00 C ATOM 231 O GLY A 38 -1.646 -4.650 -9.334 1.00 0.00 O ATOM 0 H GLY A 38 1.333 -3.733 -12.334 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.042 -3.123 -11.249 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.767 -4.497 -12.301 1.00 0.00 H new ATOM 235 N ASP A 39 -0.282 -6.198 -10.228 1.00 0.00 N ATOM 236 CA ASP A 39 -0.556 -7.257 -9.265 1.00 0.00 C ATOM 237 C ASP A 39 0.143 -7.022 -7.922 1.00 0.00 C ATOM 238 O ASP A 39 -0.037 -7.810 -6.994 1.00 0.00 O ATOM 239 CB ASP A 39 -0.114 -8.592 -9.876 1.00 0.00 C ATOM 240 CG ASP A 39 -0.745 -8.832 -11.239 1.00 0.00 C ATOM 241 OD1 ASP A 39 -0.313 -8.119 -12.174 1.00 0.00 O ATOM 242 OD2 ASP A 39 -1.644 -9.694 -11.314 1.00 0.00 O ATOM 0 H ASP A 39 0.408 -6.466 -10.930 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.626 -7.268 -9.055 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.972 -8.605 -9.972 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.384 -9.406 -9.203 1.00 0.00 H new ATOM 247 N LEU A 40 0.945 -5.954 -7.815 1.00 0.00 N ATOM 248 CA LEU A 40 1.678 -5.544 -6.621 1.00 0.00 C ATOM 249 C LEU A 40 2.834 -6.503 -6.327 1.00 0.00 C ATOM 250 O LEU A 40 3.327 -6.587 -5.200 1.00 0.00 O ATOM 251 CB LEU A 40 0.721 -5.304 -5.446 1.00 0.00 C ATOM 252 CG LEU A 40 -0.378 -4.299 -5.844 1.00 0.00 C ATOM 253 CD1 LEU A 40 -1.648 -4.549 -5.035 1.00 0.00 C ATOM 254 CD2 LEU A 40 0.114 -2.862 -5.670 1.00 0.00 C ATOM 0 H LEU A 40 1.105 -5.324 -8.601 1.00 0.00 H new ATOM 0 HA LEU A 40 2.154 -4.580 -6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.267 -6.247 -5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.276 -4.924 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.615 -4.444 -6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.414 -3.831 -5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.007 -5.560 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.431 -4.435 -3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.677 -2.169 -5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.384 -2.694 -4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.987 -2.697 -6.302 1.00 0.00 H new ATOM 266 N THR A 41 3.296 -7.179 -7.382 1.00 0.00 N ATOM 267 CA THR A 41 4.392 -8.126 -7.409 1.00 0.00 C ATOM 268 C THR A 41 5.755 -7.427 -7.442 1.00 0.00 C ATOM 269 O THR A 41 6.778 -8.099 -7.348 1.00 0.00 O ATOM 270 CB THR A 41 4.185 -8.984 -8.664 1.00 0.00 C ATOM 271 OG1 THR A 41 3.796 -8.139 -9.734 1.00 0.00 O ATOM 272 CG2 THR A 41 3.064 -10.001 -8.432 1.00 0.00 C ATOM 0 H THR A 41 2.876 -7.063 -8.304 1.00 0.00 H new ATOM 0 HA THR A 41 4.394 -8.733 -6.504 1.00 0.00 H new ATOM 0 HB THR A 41 5.113 -9.507 -8.893 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.662 -8.676 -10.543 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.927 -10.603 -9.330 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.328 -10.650 -7.597 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.137 -9.475 -8.204 1.00 0.00 H new ATOM 280 N GLY A 42 5.776 -6.096 -7.566 1.00 0.00 N ATOM 281 CA GLY A 42 6.979 -5.291 -7.473 1.00 0.00 C ATOM 282 C GLY A 42 7.580 -5.049 -8.855 1.00 0.00 C ATOM 283 O GLY A 42 8.046 -5.996 -9.484 1.00 0.00 O ATOM 0 H GLY A 42 4.935 -5.545 -7.737 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.747 -4.336 -7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.709 -5.792 -6.837 1.00 0.00 H new ATOM 287 N ALA A 43 7.566 -3.799 -9.341 1.00 0.00 N ATOM 288 CA ALA A 43 8.203 -3.426 -10.602 1.00 0.00 C ATOM 289 C ALA A 43 9.389 -2.495 -10.334 1.00 0.00 C ATOM 290 O ALA A 43 10.540 -2.908 -10.438 1.00 0.00 O ATOM 291 CB ALA A 43 7.166 -2.816 -11.553 1.00 0.00 C ATOM 0 H ALA A 43 7.110 -3.020 -8.866 1.00 0.00 H new ATOM 0 HA ALA A 43 8.602 -4.312 -11.096 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.649 -2.541 -12.490 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.380 -3.545 -11.750 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.730 -1.928 -11.095 1.00 0.00 H new ATOM 297 N SER A 44 9.105 -1.240 -9.972 1.00 0.00 N ATOM 298 CA SER A 44 10.091 -0.243 -9.556 1.00 0.00 C ATOM 299 C SER A 44 10.176 -0.142 -8.027 1.00 0.00 C ATOM 300 O SER A 44 10.884 0.711 -7.498 1.00 0.00 O ATOM 301 CB SER A 44 9.731 1.113 -10.169 1.00 0.00 C ATOM 302 OG SER A 44 9.622 0.992 -11.574 1.00 0.00 O ATOM 0 H SER A 44 8.151 -0.880 -9.961 1.00 0.00 H new ATOM 0 HA SER A 44 11.073 -0.553 -9.914 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.790 1.472 -9.752 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.493 1.850 -9.917 1.00 0.00 H new ATOM 0 HG SER A 44 9.390 1.862 -11.960 1.00 0.00 H new ATOM 308 N ALA A 45 9.408 -0.973 -7.324 1.00 0.00 N ATOM 309 CA ALA A 45 9.288 -1.052 -5.880 1.00 0.00 C ATOM 310 C ALA A 45 9.175 -2.544 -5.563 1.00 0.00 C ATOM 311 O ALA A 45 8.868 -3.311 -6.479 1.00 0.00 O ATOM 312 CB ALA A 45 8.031 -0.280 -5.491 1.00 0.00 C ATOM 0 H ALA A 45 8.811 -1.657 -7.789 1.00 0.00 H new ATOM 0 HA ALA A 45 10.127 -0.625 -5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.903 -0.315 -4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.127 0.757 -5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.164 -0.730 -5.974 1.00 0.00 H new ATOM 318 N PRO A 46 9.438 -2.991 -4.327 1.00 0.00 N ATOM 319 CA PRO A 46 9.359 -4.401 -3.990 1.00 0.00 C ATOM 320 C PRO A 46 7.919 -4.901 -4.088 1.00 0.00 C ATOM 321 O PRO A 46 6.967 -4.116 -4.134 1.00 0.00 O ATOM 322 CB PRO A 46 9.901 -4.517 -2.561 1.00 0.00 C ATOM 323 CG PRO A 46 9.603 -3.142 -1.970 1.00 0.00 C ATOM 324 CD PRO A 46 9.823 -2.211 -3.164 1.00 0.00 C ATOM 0 HA PRO A 46 9.938 -5.016 -4.679 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.405 -5.312 -2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.968 -4.738 -2.551 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.584 -3.077 -1.588 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.270 -2.904 -1.142 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.218 -1.308 -3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.863 -1.893 -3.229 1.00 0.00 H new ATOM 332 N ALA A 47 7.773 -6.228 -4.104 1.00 0.00 N ATOM 333 CA ALA A 47 6.475 -6.870 -4.043 1.00 0.00 C ATOM 334 C ALA A 47 5.806 -6.477 -2.732 1.00 0.00 C ATOM 335 O ALA A 47 6.378 -6.716 -1.669 1.00 0.00 O ATOM 336 CB ALA A 47 6.639 -8.392 -4.115 1.00 0.00 C ATOM 0 H ALA A 47 8.556 -6.880 -4.160 1.00 0.00 H new ATOM 0 HA ALA A 47 5.860 -6.551 -4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.659 -8.866 -4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.128 -8.661 -5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.247 -8.733 -3.277 1.00 0.00 H new ATOM 342 N ILE A 48 4.616 -5.878 -2.804 1.00 0.00 N ATOM 343 CA ILE A 48 3.807 -5.617 -1.622 1.00 0.00 C ATOM 344 C ILE A 48 2.488 -6.382 -1.666 1.00 0.00 C ATOM 345 O ILE A 48 1.721 -6.291 -0.718 1.00 0.00 O ATOM 346 CB ILE A 48 3.730 -4.120 -1.237 1.00 0.00 C ATOM 347 CG1 ILE A 48 3.040 -3.168 -2.215 1.00 0.00 C ATOM 348 CG2 ILE A 48 5.151 -3.606 -0.997 1.00 0.00 C ATOM 349 CD1 ILE A 48 1.516 -3.222 -2.104 1.00 0.00 C ATOM 0 H ILE A 48 4.193 -5.564 -3.677 1.00 0.00 H new ATOM 0 HA ILE A 48 4.329 -6.034 -0.761 1.00 0.00 H new ATOM 0 HB ILE A 48 3.093 -4.109 -0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.379 -2.149 -2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.337 -3.420 -3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.115 -2.551 -0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.612 -4.174 -0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.740 -3.726 -1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.074 -2.528 -2.819 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.171 -4.233 -2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.215 -2.943 -1.094 1.00 0.00 H new ATOM 361 N ASP A 49 2.230 -7.198 -2.694 1.00 0.00 N ATOM 362 CA ASP A 49 1.118 -8.142 -2.691 1.00 0.00 C ATOM 363 C ASP A 49 0.970 -8.862 -1.335 1.00 0.00 C ATOM 364 O ASP A 49 -0.114 -8.899 -0.760 1.00 0.00 O ATOM 365 CB ASP A 49 1.242 -9.131 -3.868 1.00 0.00 C ATOM 366 CG ASP A 49 2.322 -10.188 -3.692 1.00 0.00 C ATOM 367 OD1 ASP A 49 3.370 -9.864 -3.092 1.00 0.00 O ATOM 368 OD2 ASP A 49 2.067 -11.336 -4.124 1.00 0.00 O ATOM 0 H ASP A 49 2.788 -7.219 -3.548 1.00 0.00 H new ATOM 0 HA ASP A 49 0.198 -7.574 -2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.283 -9.629 -4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.447 -8.568 -4.779 1.00 0.00 H new ATOM 373 N LYS A 50 2.068 -9.396 -0.801 1.00 0.00 N ATOM 374 CA LYS A 50 2.111 -10.135 0.459 1.00 0.00 C ATOM 375 C LYS A 50 2.381 -9.220 1.650 1.00 0.00 C ATOM 376 O LYS A 50 2.612 -9.707 2.757 1.00 0.00 O ATOM 377 CB LYS A 50 3.114 -11.303 0.403 1.00 0.00 C ATOM 378 CG LYS A 50 2.418 -12.652 0.168 1.00 0.00 C ATOM 379 CD LYS A 50 2.096 -12.904 -1.305 1.00 0.00 C ATOM 380 CE LYS A 50 3.386 -13.124 -2.109 1.00 0.00 C ATOM 381 NZ LYS A 50 3.092 -13.627 -3.460 1.00 0.00 N ATOM 0 H LYS A 50 2.982 -9.323 -1.249 1.00 0.00 H new ATOM 0 HA LYS A 50 1.120 -10.566 0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.834 -11.124 -0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.676 -11.343 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.056 -13.454 0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.496 -12.686 0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.450 -13.777 -1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.547 -12.056 -1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.938 -12.187 -2.179 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.027 -13.833 -1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.980 -13.894 -3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.471 -14.459 -3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.617 -12.884 -4.011 1.00 0.00 H new ATOM 395 N ALA A 51 2.444 -7.907 1.449 1.00 0.00 N ATOM 396 CA ALA A 51 2.776 -6.987 2.515 1.00 0.00 C ATOM 397 C ALA A 51 1.930 -7.232 3.759 1.00 0.00 C ATOM 398 O ALA A 51 2.520 -7.333 4.825 1.00 0.00 O ATOM 399 CB ALA A 51 2.700 -5.559 2.013 1.00 0.00 C ATOM 0 H ALA A 51 2.267 -7.461 0.549 1.00 0.00 H new ATOM 0 HA ALA A 51 3.805 -7.166 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.952 -4.875 2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.404 -5.424 1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.689 -5.350 1.662 1.00 0.00 H new ATOM 405 N GLY A 52 0.608 -7.433 3.663 1.00 0.00 N ATOM 406 CA GLY A 52 -0.170 -7.792 4.841 1.00 0.00 C ATOM 407 C GLY A 52 0.377 -9.008 5.606 1.00 0.00 C ATOM 408 O GLY A 52 0.234 -9.091 6.822 1.00 0.00 O ATOM 0 H GLY A 52 0.071 -7.354 2.799 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.204 -6.937 5.516 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.196 -7.999 4.537 1.00 0.00 H new ATOM 412 N ALA A 53 0.964 -9.984 4.906 1.00 0.00 N ATOM 413 CA ALA A 53 1.576 -11.147 5.546 1.00 0.00 C ATOM 414 C ALA A 53 2.832 -10.746 6.318 1.00 0.00 C ATOM 415 O ALA A 53 3.147 -11.343 7.344 1.00 0.00 O ATOM 416 CB ALA A 53 1.942 -12.227 4.518 1.00 0.00 C ATOM 0 H ALA A 53 1.027 -9.988 3.888 1.00 0.00 H new ATOM 0 HA ALA A 53 0.839 -11.554 6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.395 -13.077 5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.042 -12.554 3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.650 -11.818 3.797 1.00 0.00 H new ATOM 422 N ASN A 54 3.580 -9.778 5.783 1.00 0.00 N ATOM 423 CA ASN A 54 4.897 -9.405 6.283 1.00 0.00 C ATOM 424 C ASN A 54 4.794 -8.321 7.350 1.00 0.00 C ATOM 425 O ASN A 54 5.618 -8.281 8.260 1.00 0.00 O ATOM 426 CB ASN A 54 5.776 -8.899 5.131 1.00 0.00 C ATOM 427 CG ASN A 54 6.191 -10.017 4.181 1.00 0.00 C ATOM 428 OD1 ASN A 54 7.311 -10.512 4.244 1.00 0.00 O ATOM 429 ND2 ASN A 54 5.304 -10.435 3.281 1.00 0.00 N ATOM 0 H ASN A 54 3.280 -9.226 4.979 1.00 0.00 H new ATOM 0 HA ASN A 54 5.348 -10.292 6.728 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.235 -8.135 4.573 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.668 -8.424 5.540 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.551 -11.179 2.629 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.377 -10.011 3.244 1.00 0.00 H new ATOM 436 N TYR A 55 3.822 -7.422 7.197 1.00 0.00 N ATOM 437 CA TYR A 55 3.710 -6.176 7.940 1.00 0.00 C ATOM 438 C TYR A 55 2.244 -5.976 8.308 1.00 0.00 C ATOM 439 O TYR A 55 1.372 -6.307 7.505 1.00 0.00 O ATOM 440 CB TYR A 55 4.185 -5.006 7.062 1.00 0.00 C ATOM 441 CG TYR A 55 5.538 -5.182 6.399 1.00 0.00 C ATOM 442 CD1 TYR A 55 6.686 -5.381 7.187 1.00 0.00 C ATOM 443 CD2 TYR A 55 5.661 -5.086 4.998 1.00 0.00 C ATOM 444 CE1 TYR A 55 7.947 -5.488 6.577 1.00 0.00 C ATOM 445 CE2 TYR A 55 6.928 -5.156 4.393 1.00 0.00 C ATOM 446 CZ TYR A 55 8.075 -5.342 5.185 1.00 0.00 C ATOM 447 OH TYR A 55 9.313 -5.387 4.619 1.00 0.00 O ATOM 0 H TYR A 55 3.065 -7.550 6.526 1.00 0.00 H new ATOM 0 HA TYR A 55 4.326 -6.214 8.839 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.440 -4.835 6.284 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.217 -4.106 7.676 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.598 -5.452 8.261 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.779 -4.958 4.388 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.821 -5.683 7.180 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.020 -5.067 3.321 1.00 0.00 H new ATOM 0 HH TYR A 55 9.234 -5.272 3.649 1.00 0.00 H new ATOM 457 N SER A 56 1.950 -5.450 9.498 1.00 0.00 N ATOM 458 CA SER A 56 0.564 -5.263 9.910 1.00 0.00 C ATOM 459 C SER A 56 -0.019 -3.989 9.285 1.00 0.00 C ATOM 460 O SER A 56 0.704 -3.139 8.756 1.00 0.00 O ATOM 461 CB SER A 56 0.460 -5.301 11.441 1.00 0.00 C ATOM 462 OG SER A 56 1.558 -4.642 12.039 1.00 0.00 O ATOM 0 H SER A 56 2.644 -5.151 10.183 1.00 0.00 H new ATOM 0 HA SER A 56 -0.046 -6.085 9.537 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.469 -4.828 11.758 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.423 -6.336 11.781 1.00 0.00 H new ATOM 0 HG SER A 56 1.376 -4.502 12.992 1.00 0.00 H new ATOM 468 N GLU A 57 -1.347 -3.866 9.333 1.00 0.00 N ATOM 469 CA GLU A 57 -2.084 -2.719 8.827 1.00 0.00 C ATOM 470 C GLU A 57 -1.465 -1.423 9.357 1.00 0.00 C ATOM 471 O GLU A 57 -1.168 -0.532 8.573 1.00 0.00 O ATOM 472 CB GLU A 57 -3.597 -2.829 9.116 1.00 0.00 C ATOM 473 CG GLU A 57 -3.989 -3.463 10.463 1.00 0.00 C ATOM 474 CD GLU A 57 -4.024 -4.988 10.406 1.00 0.00 C ATOM 475 OE1 GLU A 57 -2.946 -5.580 10.644 1.00 0.00 O ATOM 476 OE2 GLU A 57 -5.104 -5.527 10.086 1.00 0.00 O ATOM 0 H GLU A 57 -1.950 -4.583 9.736 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.999 -2.702 7.740 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.028 -1.829 9.070 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.057 -3.411 8.317 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.280 -3.148 11.229 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.969 -3.092 10.764 1.00 0.00 H new ATOM 483 N GLU A 58 -1.228 -1.330 10.666 1.00 0.00 N ATOM 484 CA GLU A 58 -0.528 -0.220 11.306 1.00 0.00 C ATOM 485 C GLU A 58 0.774 0.161 10.576 1.00 0.00 C ATOM 486 O GLU A 58 0.973 1.320 10.216 1.00 0.00 O ATOM 487 CB GLU A 58 -0.300 -0.571 12.786 1.00 0.00 C ATOM 488 CG GLU A 58 0.515 -1.859 12.958 1.00 0.00 C ATOM 489 CD GLU A 58 0.400 -2.496 14.332 1.00 0.00 C ATOM 490 OE1 GLU A 58 0.085 -1.763 15.293 1.00 0.00 O ATOM 491 OE2 GLU A 58 0.632 -3.724 14.380 1.00 0.00 O ATOM 0 H GLU A 58 -1.527 -2.046 11.328 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.148 0.674 11.246 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.218 0.253 13.277 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.263 -0.684 13.283 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.193 -2.581 12.208 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.564 -1.640 12.759 1.00 0.00 H new ATOM 498 N GLU A 59 1.658 -0.807 10.330 1.00 0.00 N ATOM 499 CA GLU A 59 2.931 -0.569 9.667 1.00 0.00 C ATOM 500 C GLU A 59 2.702 -0.040 8.252 1.00 0.00 C ATOM 501 O GLU A 59 3.288 0.959 7.837 1.00 0.00 O ATOM 502 CB GLU A 59 3.745 -1.868 9.637 1.00 0.00 C ATOM 503 CG GLU A 59 4.175 -2.301 11.043 1.00 0.00 C ATOM 504 CD GLU A 59 5.227 -3.396 10.968 1.00 0.00 C ATOM 505 OE1 GLU A 59 4.934 -4.394 10.275 1.00 0.00 O ATOM 506 OE2 GLU A 59 6.303 -3.205 11.572 1.00 0.00 O ATOM 0 H GLU A 59 1.506 -1.782 10.588 1.00 0.00 H new ATOM 0 HA GLU A 59 3.491 0.184 10.222 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.151 -2.659 9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.628 -1.730 9.013 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.572 -1.444 11.587 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.309 -2.659 11.600 1.00 0.00 H new ATOM 513 N ILE A 60 1.833 -0.717 7.503 1.00 0.00 N ATOM 514 CA ILE A 60 1.551 -0.368 6.117 1.00 0.00 C ATOM 515 C ILE A 60 0.982 1.054 6.071 1.00 0.00 C ATOM 516 O ILE A 60 1.441 1.890 5.296 1.00 0.00 O ATOM 517 CB ILE A 60 0.613 -1.419 5.493 1.00 0.00 C ATOM 518 CG1 ILE A 60 1.313 -2.785 5.409 1.00 0.00 C ATOM 519 CG2 ILE A 60 0.155 -0.981 4.097 1.00 0.00 C ATOM 520 CD1 ILE A 60 0.337 -3.951 5.229 1.00 0.00 C ATOM 0 H ILE A 60 1.306 -1.522 7.842 1.00 0.00 H new ATOM 0 HA ILE A 60 2.462 -0.375 5.519 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.264 -1.510 6.135 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.016 -2.776 4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.896 -2.944 6.316 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.506 -1.739 3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.379 -0.034 4.170 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.024 -0.859 3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.894 -4.887 5.177 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.350 -3.984 6.075 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.228 -3.813 4.307 1.00 0.00 H new ATOM 532 N LEU A 61 0.004 1.332 6.932 1.00 0.00 N ATOM 533 CA LEU A 61 -0.617 2.632 7.123 1.00 0.00 C ATOM 534 C LEU A 61 0.451 3.692 7.319 1.00 0.00 C ATOM 535 O LEU A 61 0.483 4.688 6.592 1.00 0.00 O ATOM 536 CB LEU A 61 -1.529 2.579 8.356 1.00 0.00 C ATOM 537 CG LEU A 61 -2.324 3.862 8.622 1.00 0.00 C ATOM 538 CD1 LEU A 61 -3.265 4.169 7.460 1.00 0.00 C ATOM 539 CD2 LEU A 61 -3.139 3.701 9.909 1.00 0.00 C ATOM 0 H LEU A 61 -0.393 0.618 7.543 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.207 2.885 6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.229 1.752 8.237 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.920 2.357 9.232 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.621 4.689 8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.818 5.084 7.672 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.685 4.299 6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.965 3.343 7.331 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.704 4.613 10.098 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.828 2.863 9.801 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.466 3.512 10.745 1.00 0.00 H new ATOM 551 N ASP A 62 1.321 3.468 8.306 1.00 0.00 N ATOM 552 CA ASP A 62 2.362 4.433 8.600 1.00 0.00 C ATOM 553 C ASP A 62 3.204 4.648 7.348 1.00 0.00 C ATOM 554 O ASP A 62 3.390 5.780 6.912 1.00 0.00 O ATOM 555 CB ASP A 62 3.217 3.992 9.788 1.00 0.00 C ATOM 556 CG ASP A 62 4.218 5.090 10.115 1.00 0.00 C ATOM 557 OD1 ASP A 62 3.783 6.102 10.712 1.00 0.00 O ATOM 558 OD2 ASP A 62 5.382 4.944 9.690 1.00 0.00 O ATOM 0 H ASP A 62 1.320 2.640 8.901 1.00 0.00 H new ATOM 0 HA ASP A 62 1.904 5.379 8.888 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.584 3.790 10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.739 3.065 9.552 1.00 0.00 H new ATOM 563 N ILE A 63 3.627 3.560 6.705 1.00 0.00 N ATOM 564 CA ILE A 63 4.483 3.628 5.527 1.00 0.00 C ATOM 565 C ILE A 63 3.810 4.451 4.426 1.00 0.00 C ATOM 566 O ILE A 63 4.448 5.288 3.798 1.00 0.00 O ATOM 567 CB ILE A 63 4.855 2.198 5.083 1.00 0.00 C ATOM 568 CG1 ILE A 63 6.058 1.715 5.909 1.00 0.00 C ATOM 569 CG2 ILE A 63 5.144 2.107 3.580 1.00 0.00 C ATOM 570 CD1 ILE A 63 6.228 0.193 5.878 1.00 0.00 C ATOM 0 H ILE A 63 3.385 2.610 6.987 1.00 0.00 H new ATOM 0 HA ILE A 63 5.414 4.144 5.763 1.00 0.00 H new ATOM 0 HB ILE A 63 3.999 1.549 5.265 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.965 2.185 5.530 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.938 2.041 6.942 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.401 1.080 3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.260 2.413 3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.977 2.764 3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.093 -0.089 6.478 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.334 -0.281 6.284 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.378 -0.136 4.850 1.00 0.00 H new ATOM 582 N ILE A 64 2.516 4.249 4.189 1.00 0.00 N ATOM 583 CA ILE A 64 1.778 5.025 3.202 1.00 0.00 C ATOM 584 C ILE A 64 1.792 6.504 3.590 1.00 0.00 C ATOM 585 O ILE A 64 2.108 7.370 2.771 1.00 0.00 O ATOM 586 CB ILE A 64 0.351 4.473 3.089 1.00 0.00 C ATOM 587 CG1 ILE A 64 0.412 3.048 2.523 1.00 0.00 C ATOM 588 CG2 ILE A 64 -0.526 5.359 2.195 1.00 0.00 C ATOM 589 CD1 ILE A 64 -0.834 2.269 2.929 1.00 0.00 C ATOM 0 H ILE A 64 1.955 3.548 4.673 1.00 0.00 H new ATOM 0 HA ILE A 64 2.251 4.940 2.223 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.099 4.463 4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.490 3.083 1.436 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.304 2.540 2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.530 4.938 2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.577 6.363 2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.095 5.407 1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.780 1.259 2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.894 2.219 4.016 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.720 2.771 2.539 1.00 0.00 H new ATOM 601 N LEU A 65 1.437 6.797 4.841 1.00 0.00 N ATOM 602 CA LEU A 65 1.337 8.159 5.339 1.00 0.00 C ATOM 603 C LEU A 65 2.699 8.874 5.389 1.00 0.00 C ATOM 604 O LEU A 65 2.732 10.106 5.304 1.00 0.00 O ATOM 605 CB LEU A 65 0.699 8.143 6.734 1.00 0.00 C ATOM 606 CG LEU A 65 -0.782 7.720 6.777 1.00 0.00 C ATOM 607 CD1 LEU A 65 -1.179 7.476 8.236 1.00 0.00 C ATOM 608 CD2 LEU A 65 -1.675 8.819 6.208 1.00 0.00 C ATOM 0 H LEU A 65 1.210 6.088 5.538 1.00 0.00 H new ATOM 0 HA LEU A 65 0.713 8.720 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.271 7.467 7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.788 9.139 7.167 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.908 6.817 6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.226 7.176 8.283 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.556 6.686 8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.039 8.392 8.809 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.716 8.499 6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.552 9.729 6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.395 9.015 5.173 1.00 0.00 H new ATOM 620 N ASN A 66 3.787 8.113 5.568 1.00 0.00 N ATOM 621 CA ASN A 66 5.144 8.595 5.828 1.00 0.00 C ATOM 622 C ASN A 66 6.019 8.502 4.581 1.00 0.00 C ATOM 623 O ASN A 66 6.548 9.512 4.127 1.00 0.00 O ATOM 624 CB ASN A 66 5.805 7.771 6.945 1.00 0.00 C ATOM 625 CG ASN A 66 5.328 8.157 8.341 1.00 0.00 C ATOM 626 OD1 ASN A 66 6.050 8.804 9.095 1.00 0.00 O ATOM 627 ND2 ASN A 66 4.113 7.755 8.686 1.00 0.00 N ATOM 0 H ASN A 66 3.739 7.095 5.533 1.00 0.00 H new ATOM 0 HA ASN A 66 5.058 9.639 6.130 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.599 6.714 6.778 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.886 7.898 6.890 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.744 7.981 9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.547 7.219 8.028 1.00 0.00 H new ATOM 634 N GLY A 67 6.208 7.284 4.066 1.00 0.00 N ATOM 635 CA GLY A 67 7.142 6.929 3.007 1.00 0.00 C ATOM 636 C GLY A 67 7.850 5.612 3.340 1.00 0.00 C ATOM 637 O GLY A 67 7.559 4.972 4.348 1.00 0.00 O ATOM 0 H GLY A 67 5.681 6.477 4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.610 6.834 2.061 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.878 7.723 2.881 1.00 0.00 H new ATOM 641 N GLN A 68 8.796 5.231 2.481 1.00 0.00 N ATOM 642 CA GLN A 68 9.799 4.183 2.659 1.00 0.00 C ATOM 643 C GLN A 68 10.978 4.652 1.788 1.00 0.00 C ATOM 644 O GLN A 68 10.765 5.524 0.955 1.00 0.00 O ATOM 645 CB GLN A 68 9.262 2.799 2.206 1.00 0.00 C ATOM 646 CG GLN A 68 10.295 1.667 2.252 1.00 0.00 C ATOM 647 CD GLN A 68 11.008 1.417 3.570 1.00 0.00 C ATOM 648 OE1 GLN A 68 11.627 2.317 4.129 1.00 0.00 O ATOM 649 NE2 GLN A 68 11.007 0.172 4.025 1.00 0.00 N ATOM 0 H GLN A 68 8.887 5.684 1.571 1.00 0.00 H new ATOM 0 HA GLN A 68 10.083 4.044 3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.417 2.527 2.838 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.883 2.886 1.188 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.794 0.744 1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.052 1.872 1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.480 -0.550 3.534 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.533 -0.064 4.867 1.00 0.00 H new ATOM 658 N GLY A 69 12.185 4.101 1.962 1.00 0.00 N ATOM 659 CA GLY A 69 13.399 4.366 1.175 1.00 0.00 C ATOM 660 C GLY A 69 13.227 5.278 -0.054 1.00 0.00 C ATOM 661 O GLY A 69 13.327 6.497 0.074 1.00 0.00 O ATOM 0 H GLY A 69 12.352 3.417 2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.143 4.815 1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.805 3.412 0.839 1.00 0.00 H new ATOM 665 N GLY A 70 12.968 4.712 -1.241 1.00 0.00 N ATOM 666 CA GLY A 70 12.714 5.461 -2.468 1.00 0.00 C ATOM 667 C GLY A 70 11.219 5.578 -2.784 1.00 0.00 C ATOM 668 O GLY A 70 10.826 5.532 -3.949 1.00 0.00 O ATOM 0 H GLY A 70 12.930 3.701 -1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.142 6.459 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.221 4.972 -3.300 1.00 0.00 H new ATOM 672 N MET A 71 10.381 5.740 -1.758 1.00 0.00 N ATOM 673 CA MET A 71 8.938 5.929 -1.863 1.00 0.00 C ATOM 674 C MET A 71 8.581 7.300 -1.282 1.00 0.00 C ATOM 675 O MET A 71 8.878 7.539 -0.114 1.00 0.00 O ATOM 676 CB MET A 71 8.259 4.819 -1.063 1.00 0.00 C ATOM 677 CG MET A 71 6.733 4.874 -1.078 1.00 0.00 C ATOM 678 SD MET A 71 5.991 3.418 -0.298 1.00 0.00 S ATOM 679 CE MET A 71 4.445 4.126 0.324 1.00 0.00 C ATOM 0 H MET A 71 10.706 5.743 -0.791 1.00 0.00 H new ATOM 0 HA MET A 71 8.607 5.887 -2.901 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.580 3.855 -1.458 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.602 4.870 -0.030 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.398 5.773 -0.560 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.384 4.951 -2.108 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.878 3.357 0.849 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.669 4.943 1.010 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.856 4.504 -0.511 1.00 0.00 H new ATOM 689 N PRO A 72 7.932 8.197 -2.045 1.00 0.00 N ATOM 690 CA PRO A 72 7.734 9.583 -1.641 1.00 0.00 C ATOM 691 C PRO A 72 6.904 9.712 -0.365 1.00 0.00 C ATOM 692 O PRO A 72 7.188 10.565 0.472 1.00 0.00 O ATOM 693 CB PRO A 72 7.091 10.290 -2.839 1.00 0.00 C ATOM 694 CG PRO A 72 6.458 9.154 -3.643 1.00 0.00 C ATOM 695 CD PRO A 72 7.398 7.979 -3.379 1.00 0.00 C ATOM 0 HA PRO A 72 8.685 10.049 -1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.344 11.017 -2.520 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.832 10.831 -3.428 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.442 8.941 -3.309 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.401 9.394 -4.705 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.865 7.030 -3.437 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.197 7.942 -4.120 1.00 0.00 H new ATOM 703 N GLY A 73 5.883 8.868 -0.220 1.00 0.00 N ATOM 704 CA GLY A 73 5.049 8.852 0.966 1.00 0.00 C ATOM 705 C GLY A 73 3.995 9.952 0.933 1.00 0.00 C ATOM 706 O GLY A 73 4.037 10.870 0.117 1.00 0.00 O ATOM 0 H GLY A 73 5.617 8.180 -0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.559 7.882 1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.674 8.974 1.851 1.00 0.00 H new ATOM 710 N GLY A 74 2.988 9.806 1.792 1.00 0.00 N ATOM 711 CA GLY A 74 1.828 10.682 1.822 1.00 0.00 C ATOM 712 C GLY A 74 1.030 10.615 0.520 1.00 0.00 C ATOM 713 O GLY A 74 0.262 11.521 0.210 1.00 0.00 O ATOM 0 H GLY A 74 2.958 9.066 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.185 10.404 2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.152 11.708 1.997 1.00 0.00 H new ATOM 717 N ILE A 75 1.189 9.515 -0.217 1.00 0.00 N ATOM 718 CA ILE A 75 0.542 9.262 -1.495 1.00 0.00 C ATOM 719 C ILE A 75 -0.972 9.167 -1.298 1.00 0.00 C ATOM 720 O ILE A 75 -1.747 9.545 -2.182 1.00 0.00 O ATOM 721 CB ILE A 75 1.142 7.967 -2.068 1.00 0.00 C ATOM 722 CG1 ILE A 75 2.618 8.180 -2.454 1.00 0.00 C ATOM 723 CG2 ILE A 75 0.366 7.442 -3.283 1.00 0.00 C ATOM 724 CD1 ILE A 75 3.430 6.929 -2.119 1.00 0.00 C ATOM 0 H ILE A 75 1.796 8.749 0.075 1.00 0.00 H new ATOM 0 HA ILE A 75 0.714 10.074 -2.201 1.00 0.00 H new ATOM 0 HB ILE A 75 1.069 7.217 -1.281 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.696 8.400 -3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.022 9.040 -1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.834 6.527 -3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.664 7.233 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.376 8.193 -4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.473 7.087 -2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.364 6.728 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.033 6.078 -2.673 1.00 0.00 H new ATOM 736 N ALA A 76 -1.390 8.653 -0.139 1.00 0.00 N ATOM 737 CA ALA A 76 -2.774 8.555 0.274 1.00 0.00 C ATOM 738 C ALA A 76 -2.818 8.926 1.749 1.00 0.00 C ATOM 739 O ALA A 76 -1.852 8.614 2.447 1.00 0.00 O ATOM 740 CB ALA A 76 -3.252 7.117 0.058 1.00 0.00 C ATOM 0 H ALA A 76 -0.743 8.283 0.557 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.423 9.218 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.294 7.030 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.162 6.858 -0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.641 6.437 0.651 1.00 0.00 H new ATOM 746 N LYS A 77 -3.873 9.604 2.223 1.00 0.00 N ATOM 747 CA LYS A 77 -3.973 10.054 3.606 1.00 0.00 C ATOM 748 C LYS A 77 -5.375 9.864 4.196 1.00 0.00 C ATOM 749 O LYS A 77 -6.365 9.746 3.476 1.00 0.00 O ATOM 750 CB LYS A 77 -3.492 11.512 3.725 1.00 0.00 C ATOM 751 CG LYS A 77 -1.960 11.644 3.598 1.00 0.00 C ATOM 752 CD LYS A 77 -1.290 12.383 4.771 1.00 0.00 C ATOM 753 CE LYS A 77 0.228 12.135 4.693 1.00 0.00 C ATOM 754 NZ LYS A 77 0.986 12.581 5.879 1.00 0.00 N ATOM 0 H LYS A 77 -4.680 9.853 1.651 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.317 9.422 4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.970 12.113 2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.810 11.918 4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.526 10.647 3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.728 12.170 2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.504 13.451 4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.685 12.024 5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.402 11.069 4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.621 12.645 3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.785 11.936 6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.345 13.544 5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.362 12.577 6.711 1.00 0.00 H new ATOM 768 N GLY A 78 -5.441 9.820 5.532 1.00 0.00 N ATOM 769 CA GLY A 78 -6.669 9.604 6.286 1.00 0.00 C ATOM 770 C GLY A 78 -7.377 8.334 5.821 1.00 0.00 C ATOM 771 O GLY A 78 -6.717 7.329 5.543 1.00 0.00 O ATOM 0 H GLY A 78 -4.621 9.937 6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.439 9.529 7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.332 10.461 6.163 1.00 0.00 H new ATOM 775 N ALA A 79 -8.703 8.423 5.661 1.00 0.00 N ATOM 776 CA ALA A 79 -9.575 7.333 5.240 1.00 0.00 C ATOM 777 C ALA A 79 -8.986 6.541 4.072 1.00 0.00 C ATOM 778 O ALA A 79 -9.125 5.324 4.015 1.00 0.00 O ATOM 779 CB ALA A 79 -10.948 7.898 4.860 1.00 0.00 C ATOM 0 H ALA A 79 -9.212 9.291 5.829 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.676 6.641 6.076 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.602 7.085 4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.385 8.402 5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.835 8.610 4.042 1.00 0.00 H new ATOM 785 N GLU A 80 -8.330 7.236 3.143 1.00 0.00 N ATOM 786 CA GLU A 80 -7.664 6.631 2.007 1.00 0.00 C ATOM 787 C GLU A 80 -6.592 5.640 2.486 1.00 0.00 C ATOM 788 O GLU A 80 -6.614 4.461 2.130 1.00 0.00 O ATOM 789 CB GLU A 80 -7.067 7.768 1.172 1.00 0.00 C ATOM 790 CG GLU A 80 -6.766 7.379 -0.275 1.00 0.00 C ATOM 791 CD GLU A 80 -6.029 8.492 -1.000 1.00 0.00 C ATOM 792 OE1 GLU A 80 -5.699 9.514 -0.361 1.00 0.00 O ATOM 793 OE2 GLU A 80 -5.751 8.298 -2.201 1.00 0.00 O ATOM 0 H GLU A 80 -8.249 8.253 3.166 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.362 6.059 1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.759 8.610 1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.146 8.109 1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.165 6.470 -0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.697 7.156 -0.796 1.00 0.00 H new ATOM 800 N ALA A 81 -5.646 6.108 3.309 1.00 0.00 N ATOM 801 CA ALA A 81 -4.556 5.282 3.794 1.00 0.00 C ATOM 802 C ALA A 81 -5.091 4.189 4.719 1.00 0.00 C ATOM 803 O ALA A 81 -4.638 3.051 4.640 1.00 0.00 O ATOM 804 CB ALA A 81 -3.519 6.162 4.490 1.00 0.00 C ATOM 0 H ALA A 81 -5.623 7.069 3.651 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.068 4.785 2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.700 5.541 4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.131 6.896 3.783 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.984 6.678 5.330 1.00 0.00 H new ATOM 810 N GLU A 82 -6.061 4.523 5.576 1.00 0.00 N ATOM 811 CA GLU A 82 -6.743 3.556 6.432 1.00 0.00 C ATOM 812 C GLU A 82 -7.313 2.417 5.583 1.00 0.00 C ATOM 813 O GLU A 82 -7.033 1.242 5.833 1.00 0.00 O ATOM 814 CB GLU A 82 -7.843 4.266 7.230 1.00 0.00 C ATOM 815 CG GLU A 82 -7.262 5.295 8.209 1.00 0.00 C ATOM 816 CD GLU A 82 -8.358 6.175 8.795 1.00 0.00 C ATOM 817 OE1 GLU A 82 -9.211 5.613 9.513 1.00 0.00 O ATOM 818 OE2 GLU A 82 -8.336 7.389 8.494 1.00 0.00 O ATOM 0 H GLU A 82 -6.395 5.480 5.694 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.034 3.122 7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.527 4.764 6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.426 3.528 7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.736 4.780 9.013 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.528 5.916 7.695 1.00 0.00 H new ATOM 825 N ALA A 83 -8.092 2.779 4.559 1.00 0.00 N ATOM 826 CA ALA A 83 -8.671 1.837 3.617 1.00 0.00 C ATOM 827 C ALA A 83 -7.575 0.958 3.022 1.00 0.00 C ATOM 828 O ALA A 83 -7.674 -0.265 3.116 1.00 0.00 O ATOM 829 CB ALA A 83 -9.469 2.580 2.540 1.00 0.00 C ATOM 0 H ALA A 83 -8.337 3.750 4.365 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.370 1.183 4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.896 1.860 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.271 3.150 3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.808 3.259 2.001 1.00 0.00 H new ATOM 835 N VAL A 84 -6.525 1.566 2.447 1.00 0.00 N ATOM 836 CA VAL A 84 -5.401 0.796 1.920 1.00 0.00 C ATOM 837 C VAL A 84 -4.895 -0.191 2.969 1.00 0.00 C ATOM 838 O VAL A 84 -4.813 -1.378 2.697 1.00 0.00 O ATOM 839 CB VAL A 84 -4.223 1.668 1.455 1.00 0.00 C ATOM 840 CG1 VAL A 84 -3.045 0.764 1.064 1.00 0.00 C ATOM 841 CG2 VAL A 84 -4.523 2.519 0.223 1.00 0.00 C ATOM 0 H VAL A 84 -6.436 2.576 2.339 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.786 0.271 1.046 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.007 2.330 2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.208 1.379 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.741 0.170 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.349 0.100 0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.641 3.103 -0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.789 1.870 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.353 3.192 0.439 1.00 0.00 H new ATOM 851 N ALA A 85 -4.486 0.297 4.138 1.00 0.00 N ATOM 852 CA ALA A 85 -3.852 -0.520 5.159 1.00 0.00 C ATOM 853 C ALA A 85 -4.717 -1.732 5.497 1.00 0.00 C ATOM 854 O ALA A 85 -4.252 -2.868 5.414 1.00 0.00 O ATOM 855 CB ALA A 85 -3.604 0.344 6.389 1.00 0.00 C ATOM 0 H ALA A 85 -4.588 1.277 4.401 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.900 -0.900 4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.128 -0.256 7.165 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.953 1.177 6.123 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.553 0.730 6.760 1.00 0.00 H new ATOM 861 N ALA A 86 -5.981 -1.485 5.851 1.00 0.00 N ATOM 862 CA ALA A 86 -6.921 -2.543 6.189 1.00 0.00 C ATOM 863 C ALA A 86 -7.021 -3.558 5.047 1.00 0.00 C ATOM 864 O ALA A 86 -6.833 -4.757 5.245 1.00 0.00 O ATOM 865 CB ALA A 86 -8.286 -1.928 6.509 1.00 0.00 C ATOM 0 H ALA A 86 -6.375 -0.546 5.910 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.565 -3.077 7.070 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.991 -2.719 6.762 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.189 -1.245 7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.651 -1.381 5.640 1.00 0.00 H new ATOM 871 N TRP A 87 -7.294 -3.074 3.836 1.00 0.00 N ATOM 872 CA TRP A 87 -7.429 -3.920 2.658 1.00 0.00 C ATOM 873 C TRP A 87 -6.159 -4.735 2.398 1.00 0.00 C ATOM 874 O TRP A 87 -6.219 -5.927 2.130 1.00 0.00 O ATOM 875 CB TRP A 87 -7.772 -3.018 1.473 1.00 0.00 C ATOM 876 CG TRP A 87 -7.469 -3.545 0.106 1.00 0.00 C ATOM 877 CD1 TRP A 87 -8.228 -4.387 -0.627 1.00 0.00 C ATOM 878 CD2 TRP A 87 -6.279 -3.291 -0.688 1.00 0.00 C ATOM 879 NE1 TRP A 87 -7.496 -4.820 -1.718 1.00 0.00 N ATOM 880 CE2 TRP A 87 -6.287 -4.164 -1.810 1.00 0.00 C ATOM 881 CE3 TRP A 87 -5.163 -2.447 -0.537 1.00 0.00 C ATOM 882 CZ2 TRP A 87 -5.205 -4.228 -2.698 1.00 0.00 C ATOM 883 CZ3 TRP A 87 -4.094 -2.489 -1.441 1.00 0.00 C ATOM 884 CH2 TRP A 87 -4.144 -3.340 -2.550 1.00 0.00 C ATOM 0 H TRP A 87 -7.428 -2.081 3.647 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.225 -4.649 2.814 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.837 -2.789 1.519 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.238 -2.076 1.599 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.243 -4.676 -0.398 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -7.812 -5.536 -2.373 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -5.130 -1.754 0.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.195 -4.961 -3.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.229 -1.863 -1.281 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.359 -3.308 -3.291 1.00 0.00 H new ATOM 895 N LEU A 88 -4.991 -4.101 2.429 1.00 0.00 N ATOM 896 CA LEU A 88 -3.755 -4.759 2.038 1.00 0.00 C ATOM 897 C LEU A 88 -3.291 -5.723 3.122 1.00 0.00 C ATOM 898 O LEU A 88 -2.717 -6.767 2.817 1.00 0.00 O ATOM 899 CB LEU A 88 -2.700 -3.730 1.613 1.00 0.00 C ATOM 900 CG LEU A 88 -1.842 -4.129 0.402 1.00 0.00 C ATOM 901 CD1 LEU A 88 -0.599 -4.833 0.861 1.00 0.00 C ATOM 902 CD2 LEU A 88 -2.445 -5.076 -0.648 1.00 0.00 C ATOM 0 H LEU A 88 -4.877 -3.131 2.722 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.933 -5.374 1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.204 -2.790 1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.039 -3.541 2.459 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.699 -3.162 -0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.002 -5.112 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.022 -4.170 1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.873 -5.730 1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.714 -5.258 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.712 -6.021 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.337 -4.621 -1.079 1.00 0.00 H new ATOM 914 N ALA A 89 -3.615 -5.421 4.380 1.00 0.00 N ATOM 915 CA ALA A 89 -3.602 -6.425 5.428 1.00 0.00 C ATOM 916 C ALA A 89 -4.493 -7.587 4.994 1.00 0.00 C ATOM 917 O ALA A 89 -4.016 -8.707 4.847 1.00 0.00 O ATOM 918 CB ALA A 89 -3.999 -5.838 6.783 1.00 0.00 C ATOM 0 H ALA A 89 -3.888 -4.489 4.691 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.588 -6.800 5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.977 -6.622 7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.299 -5.049 7.057 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.005 -5.424 6.719 1.00 0.00 H new ATOM 924 N GLU A 90 -5.763 -7.340 4.676 1.00 0.00 N ATOM 925 CA GLU A 90 -6.697 -8.431 4.420 1.00 0.00 C ATOM 926 C GLU A 90 -6.392 -9.154 3.094 1.00 0.00 C ATOM 927 O GLU A 90 -6.955 -10.215 2.833 1.00 0.00 O ATOM 928 CB GLU A 90 -8.146 -7.906 4.518 1.00 0.00 C ATOM 929 CG GLU A 90 -8.840 -7.719 3.162 1.00 0.00 C ATOM 930 CD GLU A 90 -10.135 -6.922 3.260 1.00 0.00 C ATOM 931 OE1 GLU A 90 -10.887 -7.177 4.225 1.00 0.00 O ATOM 932 OE2 GLU A 90 -10.351 -6.076 2.365 1.00 0.00 O ATOM 0 H GLU A 90 -6.163 -6.406 4.591 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.573 -9.195 5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.732 -8.600 5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.140 -6.952 5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.159 -7.212 2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.054 -8.697 2.732 1.00 0.00 H new ATOM 939 N LYS A 91 -5.473 -8.632 2.269 1.00 0.00 N ATOM 940 CA LYS A 91 -5.171 -9.194 0.963 1.00 0.00 C ATOM 941 C LYS A 91 -4.365 -10.490 1.120 1.00 0.00 C ATOM 942 O LYS A 91 -4.397 -11.353 0.246 1.00 0.00 O ATOM 943 CB LYS A 91 -4.423 -8.107 0.168 1.00 0.00 C ATOM 944 CG LYS A 91 -4.257 -8.364 -1.340 1.00 0.00 C ATOM 945 CD LYS A 91 -3.318 -9.547 -1.620 1.00 0.00 C ATOM 946 CE LYS A 91 -2.241 -9.279 -2.659 1.00 0.00 C ATOM 947 NZ LYS A 91 -2.723 -9.351 -4.055 1.00 0.00 N ATOM 0 H LYS A 91 -4.921 -7.805 2.498 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.073 -9.472 0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.951 -7.162 0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.433 -7.982 0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.233 -8.562 -1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.864 -7.468 -1.820 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.837 -9.839 -0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.916 -10.397 -1.949 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.817 -8.290 -2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.434 -10.000 -2.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.934 -9.158 -4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.102 -10.301 -4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.473 -8.645 -4.200 1.00 0.00 H new ATOM 961 N LYS A 92 -3.615 -10.600 2.216 1.00 0.00 N ATOM 962 CA LYS A 92 -2.376 -11.360 2.306 1.00 0.00 C ATOM 963 C LYS A 92 -2.577 -12.877 2.229 1.00 0.00 C ATOM 964 O LYS A 92 -3.523 -13.379 2.878 1.00 0.00 O ATOM 965 CB LYS A 92 -1.756 -10.988 3.643 1.00 0.00 C ATOM 966 CG LYS A 92 -2.617 -11.468 4.833 1.00 0.00 C ATOM 967 CD LYS A 92 -2.379 -10.705 6.143 1.00 0.00 C ATOM 968 CE LYS A 92 -3.638 -10.706 7.025 1.00 0.00 C ATOM 969 NZ LYS A 92 -3.897 -12.035 7.603 1.00 0.00 N ATOM 970 OXT LYS A 92 -1.732 -13.515 1.561 1.00 0.00 O ATOM 0 H LYS A 92 -3.865 -10.145 3.094 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.740 -11.113 1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.761 -11.426 3.716 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.633 -9.906 3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.669 -11.379 4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.420 -12.526 5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.551 -11.160 6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.088 -9.678 5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.521 -9.977 7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.498 -10.393 6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.754 -11.997 8.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.033 -12.726 6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.087 -12.323 8.189 1.00 0.00 H new