USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=11 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= 0.839 K(o=0.84,f=-0.55) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -145:sc= 1.18 (180deg=1.07) USER MOD Single : A 32 CYS SG : rot -164:sc= -4.92! USER MOD Single : A 34 SER OG : rot 180:sc= 0.0621 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= 0.356 K(o=0.36,f=-3.9!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0766 X(o=-0.077,f=-0.35) USER MOD Single : A 68 GLN : amide:sc= 0.0334 K(o=0.033,f=-7!) USER MOD Single : A 71 MET CE :methyl 178:sc= -0.188 (180deg=-0.203) USER MOD Single : A 77 LYS NZ :NH3+ 129:sc= 1.25 (180deg=-0.138) 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 -12.357 3.690 -1.812 1.00 0.00 N ATOM 20 CA ASP A 23 -12.164 2.310 -2.169 1.00 0.00 C ATOM 21 C ASP A 23 -10.804 1.902 -1.643 1.00 0.00 C ATOM 22 O ASP A 23 -9.971 2.755 -1.340 1.00 0.00 O ATOM 23 CB ASP A 23 -12.143 2.231 -3.700 1.00 0.00 C ATOM 24 CG ASP A 23 -13.323 2.930 -4.366 1.00 0.00 C ATOM 25 OD1 ASP A 23 -13.443 4.158 -4.133 1.00 0.00 O ATOM 26 OD2 ASP A 23 -14.075 2.233 -5.077 1.00 0.00 O ATOM 0 HA ASP A 23 -12.946 1.668 -1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.216 2.674 -4.065 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.136 1.183 -4.001 1.00 0.00 H new ATOM 31 N ALA A 24 -10.578 0.596 -1.543 1.00 0.00 N ATOM 32 CA ALA A 24 -9.326 0.107 -1.018 1.00 0.00 C ATOM 33 C ALA A 24 -8.428 -0.342 -2.162 1.00 0.00 C ATOM 34 O ALA A 24 -7.447 0.332 -2.474 1.00 0.00 O ATOM 35 CB ALA A 24 -9.587 -0.975 0.022 1.00 0.00 C ATOM 0 H ALA A 24 -11.242 -0.128 -1.817 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.790 0.903 -0.501 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.637 -1.340 0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.181 -0.561 0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.130 -1.800 -0.440 1.00 0.00 H new ATOM 41 N GLU A 25 -8.775 -1.445 -2.833 1.00 0.00 N ATOM 42 CA GLU A 25 -7.948 -1.921 -3.926 1.00 0.00 C ATOM 43 C GLU A 25 -7.818 -0.848 -5.001 1.00 0.00 C ATOM 44 O GLU A 25 -6.722 -0.653 -5.503 1.00 0.00 O ATOM 45 CB GLU A 25 -8.416 -3.274 -4.477 1.00 0.00 C ATOM 46 CG GLU A 25 -9.511 -3.166 -5.532 1.00 0.00 C ATOM 47 CD GLU A 25 -9.959 -4.548 -5.982 1.00 0.00 C ATOM 48 OE1 GLU A 25 -10.517 -5.261 -5.121 1.00 0.00 O ATOM 49 OE2 GLU A 25 -9.709 -4.868 -7.163 1.00 0.00 O ATOM 0 H GLU A 25 -9.604 -2.007 -2.639 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.949 -2.111 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.561 -3.795 -4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.780 -3.885 -3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.361 -2.616 -5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.144 -2.600 -6.388 1.00 0.00 H new ATOM 56 N ALA A 26 -8.904 -0.135 -5.333 1.00 0.00 N ATOM 57 CA ALA A 26 -8.888 0.862 -6.401 1.00 0.00 C ATOM 58 C ALA A 26 -7.825 1.931 -6.147 1.00 0.00 C ATOM 59 O ALA A 26 -7.146 2.351 -7.080 1.00 0.00 O ATOM 60 CB ALA A 26 -10.261 1.501 -6.613 1.00 0.00 C ATOM 0 H ALA A 26 -9.808 -0.235 -4.871 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.629 0.335 -7.320 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.200 2.235 -7.416 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.984 0.730 -6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.579 1.994 -5.694 1.00 0.00 H new ATOM 66 N VAL A 27 -7.657 2.352 -4.887 1.00 0.00 N ATOM 67 CA VAL A 27 -6.528 3.192 -4.517 1.00 0.00 C ATOM 68 C VAL A 27 -5.258 2.474 -4.925 1.00 0.00 C ATOM 69 O VAL A 27 -4.477 3.051 -5.673 1.00 0.00 O ATOM 70 CB VAL A 27 -6.540 3.558 -3.022 1.00 0.00 C ATOM 71 CG1 VAL A 27 -5.249 4.283 -2.613 1.00 0.00 C ATOM 72 CG2 VAL A 27 -7.729 4.476 -2.719 1.00 0.00 C ATOM 0 H VAL A 27 -8.287 2.123 -4.118 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.592 4.145 -5.042 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.621 2.630 -2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.290 4.527 -1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.392 3.636 -2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.148 5.200 -3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.731 4.731 -1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.645 5.387 -3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.658 3.964 -2.971 1.00 0.00 H new ATOM 82 N VAL A 28 -5.002 1.239 -4.486 1.00 0.00 N ATOM 83 CA VAL A 28 -3.667 0.728 -4.704 1.00 0.00 C ATOM 84 C VAL A 28 -3.398 0.541 -6.204 1.00 0.00 C ATOM 85 O VAL A 28 -2.372 0.980 -6.737 1.00 0.00 O ATOM 86 CB VAL A 28 -3.445 -0.464 -3.778 1.00 0.00 C ATOM 87 CG1 VAL A 28 -1.965 -0.804 -3.643 1.00 0.00 C ATOM 88 CG2 VAL A 28 -3.951 -0.080 -2.378 1.00 0.00 C ATOM 0 H VAL A 28 -5.657 0.618 -4.011 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.889 1.437 -4.421 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.972 -1.322 -4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.847 -1.658 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.557 -1.051 -4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.431 0.053 -3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.803 -0.917 -1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.397 0.786 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.012 0.164 -2.429 1.00 0.00 H new ATOM 98 N GLN A 29 -4.429 0.031 -6.880 1.00 0.00 N ATOM 99 CA GLN A 29 -4.633 -0.092 -8.313 1.00 0.00 C ATOM 100 C GLN A 29 -4.627 1.240 -9.081 1.00 0.00 C ATOM 101 O GLN A 29 -4.776 1.211 -10.300 1.00 0.00 O ATOM 102 CB GLN A 29 -5.937 -0.886 -8.538 1.00 0.00 C ATOM 103 CG GLN A 29 -5.811 -2.353 -8.100 1.00 0.00 C ATOM 104 CD GLN A 29 -4.766 -3.099 -8.926 1.00 0.00 C ATOM 105 OE1 GLN A 29 -4.640 -2.881 -10.126 1.00 0.00 O ATOM 106 NE2 GLN A 29 -3.976 -3.954 -8.286 1.00 0.00 N ATOM 0 H GLN A 29 -5.229 -0.347 -6.372 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.778 -0.625 -8.729 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.748 -0.413 -7.984 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.206 -0.846 -9.594 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.540 -2.396 -7.045 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.777 -2.848 -8.202 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.103 -4.116 -7.287 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.242 -4.448 -8.794 1.00 0.00 H new ATOM 115 N GLN A 30 -4.427 2.396 -8.433 1.00 0.00 N ATOM 116 CA GLN A 30 -4.179 3.649 -9.151 1.00 0.00 C ATOM 117 C GLN A 30 -3.124 4.577 -8.528 1.00 0.00 C ATOM 118 O GLN A 30 -2.685 5.512 -9.192 1.00 0.00 O ATOM 119 CB GLN A 30 -5.497 4.411 -9.376 1.00 0.00 C ATOM 120 CG GLN A 30 -5.583 4.944 -10.818 1.00 0.00 C ATOM 121 CD GLN A 30 -6.115 6.370 -10.888 1.00 0.00 C ATOM 122 OE1 GLN A 30 -5.448 7.266 -11.394 1.00 0.00 O ATOM 123 NE2 GLN A 30 -7.320 6.606 -10.381 1.00 0.00 N ATOM 0 H GLN A 30 -4.432 2.487 -7.417 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.748 3.339 -10.103 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.342 3.752 -9.177 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.567 5.241 -8.672 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.594 4.907 -11.274 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.229 4.291 -11.404 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.856 5.845 -9.965 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.709 7.549 -10.408 1.00 0.00 H new ATOM 132 N LYS A 31 -2.741 4.369 -7.267 1.00 0.00 N ATOM 133 CA LYS A 31 -1.839 5.228 -6.514 1.00 0.00 C ATOM 134 C LYS A 31 -0.483 4.541 -6.316 1.00 0.00 C ATOM 135 O LYS A 31 0.508 5.224 -6.059 1.00 0.00 O ATOM 136 CB LYS A 31 -2.501 5.581 -5.164 1.00 0.00 C ATOM 137 CG LYS A 31 -2.748 7.082 -4.972 1.00 0.00 C ATOM 138 CD LYS A 31 -4.006 7.515 -5.730 1.00 0.00 C ATOM 139 CE LYS A 31 -4.319 8.992 -5.446 1.00 0.00 C ATOM 140 NZ LYS A 31 -5.767 9.221 -5.283 1.00 0.00 N ATOM 0 H LYS A 31 -3.065 3.567 -6.727 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.653 6.149 -7.067 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.451 5.053 -5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.868 5.219 -4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.859 7.306 -3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.887 7.648 -5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.863 7.366 -6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.850 6.894 -5.432 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.797 9.308 -4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.943 9.607 -6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.017 10.152 -5.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.295 8.481 -5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.012 9.191 -4.273 1.00 0.00 H new ATOM 154 N CYS A 32 -0.438 3.203 -6.377 1.00 0.00 N ATOM 155 CA CYS A 32 0.706 2.425 -5.918 1.00 0.00 C ATOM 156 C CYS A 32 1.268 1.541 -7.030 1.00 0.00 C ATOM 157 O CYS A 32 2.490 1.427 -7.169 1.00 0.00 O ATOM 158 CB CYS A 32 0.288 1.594 -4.706 1.00 0.00 C ATOM 159 SG CYS A 32 -0.883 2.464 -3.605 1.00 0.00 S ATOM 0 H CYS A 32 -1.199 2.634 -6.748 1.00 0.00 H new ATOM 0 HA CYS A 32 1.506 3.107 -5.629 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.168 0.666 -5.050 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.177 1.321 -4.137 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.930 1.858 -2.456 1.00 0.00 H new ATOM 164 N ILE A 33 0.386 0.949 -7.849 1.00 0.00 N ATOM 165 CA ILE A 33 0.790 0.163 -9.011 1.00 0.00 C ATOM 166 C ILE A 33 1.811 0.910 -9.870 1.00 0.00 C ATOM 167 O ILE A 33 2.675 0.282 -10.475 1.00 0.00 O ATOM 168 CB ILE A 33 -0.416 -0.268 -9.862 1.00 0.00 C ATOM 169 CG1 ILE A 33 -1.272 0.914 -10.351 1.00 0.00 C ATOM 170 CG2 ILE A 33 -1.254 -1.296 -9.097 1.00 0.00 C ATOM 171 CD1 ILE A 33 -2.109 0.533 -11.576 1.00 0.00 C ATOM 0 H ILE A 33 -0.624 1.005 -7.720 1.00 0.00 H new ATOM 0 HA ILE A 33 1.265 -0.739 -8.625 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.023 -0.732 -10.767 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.931 1.244 -9.548 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.625 1.755 -10.599 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.106 -1.596 -9.706 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.642 -2.170 -8.873 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.611 -0.855 -8.166 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.701 1.392 -11.894 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.448 0.227 -12.387 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.774 -0.291 -11.320 1.00 0.00 H new ATOM 183 N SER A 34 1.729 2.245 -9.883 1.00 0.00 N ATOM 184 CA SER A 34 2.688 3.149 -10.487 1.00 0.00 C ATOM 185 C SER A 34 4.137 2.697 -10.301 1.00 0.00 C ATOM 186 O SER A 34 4.931 2.847 -11.226 1.00 0.00 O ATOM 187 CB SER A 34 2.470 4.531 -9.869 1.00 0.00 C ATOM 188 OG SER A 34 1.090 4.847 -9.919 1.00 0.00 O ATOM 0 H SER A 34 0.950 2.739 -9.448 1.00 0.00 H new ATOM 0 HA SER A 34 2.524 3.167 -11.564 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.821 4.542 -8.837 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.048 5.281 -10.410 1.00 0.00 H new ATOM 0 HG SER A 34 0.942 5.731 -9.523 1.00 0.00 H new ATOM 194 N CYS A 35 4.479 2.170 -9.117 1.00 0.00 N ATOM 195 CA CYS A 35 5.809 1.637 -8.840 1.00 0.00 C ATOM 196 C CYS A 35 5.729 0.154 -8.493 1.00 0.00 C ATOM 197 O CYS A 35 6.525 -0.637 -8.985 1.00 0.00 O ATOM 198 CB CYS A 35 6.527 2.447 -7.755 1.00 0.00 C ATOM 199 SG CYS A 35 6.227 4.220 -8.024 1.00 0.00 S ATOM 0 H CYS A 35 3.837 2.104 -8.327 1.00 0.00 H new ATOM 0 HA CYS A 35 6.410 1.732 -9.744 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.168 2.152 -6.769 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.597 2.240 -7.780 1.00 0.00 H new ATOM 0 HG CYS A 35 6.834 4.907 -7.103 1.00 0.00 H new ATOM 204 N HIS A 36 4.770 -0.253 -7.661 1.00 0.00 N ATOM 205 CA HIS A 36 4.676 -1.643 -7.233 1.00 0.00 C ATOM 206 C HIS A 36 4.264 -2.595 -8.368 1.00 0.00 C ATOM 207 O HIS A 36 4.499 -3.800 -8.264 1.00 0.00 O ATOM 208 CB HIS A 36 3.786 -1.719 -5.992 1.00 0.00 C ATOM 209 CG HIS A 36 4.456 -1.123 -4.777 1.00 0.00 C ATOM 210 ND1 HIS A 36 5.402 -1.760 -4.003 1.00 0.00 N ATOM 211 CD2 HIS A 36 4.288 0.144 -4.272 1.00 0.00 C ATOM 212 CE1 HIS A 36 5.772 -0.899 -3.040 1.00 0.00 C ATOM 213 NE2 HIS A 36 5.135 0.275 -3.163 1.00 0.00 N ATOM 0 H HIS A 36 4.052 0.359 -7.273 1.00 0.00 H new ATOM 0 HA HIS A 36 5.667 -2.002 -6.955 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.851 -1.194 -6.184 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.532 -2.760 -5.792 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.755 -2.708 -4.136 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.623 0.902 -4.660 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.491 -1.124 -2.266 1.00 0.00 H new ATOM 221 N GLY A 37 3.728 -2.072 -9.474 1.00 0.00 N ATOM 222 CA GLY A 37 3.289 -2.857 -10.620 1.00 0.00 C ATOM 223 C GLY A 37 1.834 -3.278 -10.432 1.00 0.00 C ATOM 224 O GLY A 37 1.379 -3.381 -9.297 1.00 0.00 O ATOM 0 H GLY A 37 3.586 -1.069 -9.596 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.393 -2.272 -11.534 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.921 -3.738 -10.732 1.00 0.00 H new ATOM 228 N GLY A 38 1.106 -3.508 -11.531 1.00 0.00 N ATOM 229 CA GLY A 38 -0.322 -3.828 -11.545 1.00 0.00 C ATOM 230 C GLY A 38 -0.732 -4.795 -10.433 1.00 0.00 C ATOM 231 O GLY A 38 -1.566 -4.476 -9.586 1.00 0.00 O ATOM 0 H GLY A 38 1.511 -3.475 -12.466 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.896 -2.906 -11.446 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.581 -4.263 -12.510 1.00 0.00 H new ATOM 235 N ASP A 39 -0.129 -5.981 -10.426 1.00 0.00 N ATOM 236 CA ASP A 39 -0.443 -7.053 -9.492 1.00 0.00 C ATOM 237 C ASP A 39 0.199 -6.835 -8.115 1.00 0.00 C ATOM 238 O ASP A 39 0.010 -7.653 -7.219 1.00 0.00 O ATOM 239 CB ASP A 39 0.031 -8.379 -10.104 1.00 0.00 C ATOM 240 CG ASP A 39 -0.440 -8.560 -11.540 1.00 0.00 C ATOM 241 OD1 ASP A 39 0.118 -7.828 -12.389 1.00 0.00 O ATOM 242 OD2 ASP A 39 -1.336 -9.403 -11.753 1.00 0.00 O ATOM 0 H ASP A 39 0.609 -6.227 -11.086 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.521 -7.070 -9.329 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.120 -8.420 -10.074 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.336 -9.207 -9.498 1.00 0.00 H new ATOM 247 N LEU A 40 0.978 -5.759 -7.946 1.00 0.00 N ATOM 248 CA LEU A 40 1.680 -5.389 -6.716 1.00 0.00 C ATOM 249 C LEU A 40 2.758 -6.411 -6.353 1.00 0.00 C ATOM 250 O LEU A 40 3.199 -6.501 -5.204 1.00 0.00 O ATOM 251 CB LEU A 40 0.674 -5.089 -5.598 1.00 0.00 C ATOM 252 CG LEU A 40 -0.256 -3.953 -6.062 1.00 0.00 C ATOM 253 CD1 LEU A 40 -1.723 -4.262 -5.758 1.00 0.00 C ATOM 254 CD2 LEU A 40 0.173 -2.649 -5.408 1.00 0.00 C ATOM 0 H LEU A 40 1.142 -5.093 -8.701 1.00 0.00 H new ATOM 0 HA LEU A 40 2.230 -4.462 -6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.093 -5.981 -5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.197 -4.800 -4.686 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.171 -3.857 -7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.347 -3.437 -6.100 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.016 -5.177 -6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.852 -4.393 -4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.485 -1.844 -5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.113 -2.748 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.199 -2.419 -5.695 1.00 0.00 H new ATOM 266 N THR A 41 3.216 -7.118 -7.388 1.00 0.00 N ATOM 267 CA THR A 41 4.244 -8.134 -7.406 1.00 0.00 C ATOM 268 C THR A 41 5.643 -7.515 -7.377 1.00 0.00 C ATOM 269 O THR A 41 6.618 -8.245 -7.211 1.00 0.00 O ATOM 270 CB THR A 41 4.028 -8.936 -8.697 1.00 0.00 C ATOM 271 OG1 THR A 41 3.680 -8.028 -9.732 1.00 0.00 O ATOM 272 CG2 THR A 41 2.882 -9.934 -8.514 1.00 0.00 C ATOM 0 H THR A 41 2.831 -6.971 -8.321 1.00 0.00 H new ATOM 0 HA THR A 41 4.176 -8.771 -6.524 1.00 0.00 H new ATOM 0 HB THR A 41 4.939 -9.481 -8.945 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.539 -8.522 -10.567 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.739 -10.497 -9.437 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.124 -10.621 -7.704 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.966 -9.396 -8.271 1.00 0.00 H new ATOM 280 N GLY A 42 5.755 -6.189 -7.511 1.00 0.00 N ATOM 281 CA GLY A 42 6.978 -5.464 -7.230 1.00 0.00 C ATOM 282 C GLY A 42 7.761 -5.152 -8.500 1.00 0.00 C ATOM 283 O GLY A 42 8.762 -5.805 -8.788 1.00 0.00 O ATOM 0 H GLY A 42 4.987 -5.593 -7.821 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.738 -4.534 -6.714 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.601 -6.051 -6.555 1.00 0.00 H new ATOM 287 N ALA A 43 7.307 -4.153 -9.261 1.00 0.00 N ATOM 288 CA ALA A 43 7.987 -3.712 -10.475 1.00 0.00 C ATOM 289 C ALA A 43 9.171 -2.783 -10.151 1.00 0.00 C ATOM 290 O ALA A 43 10.318 -3.216 -10.106 1.00 0.00 O ATOM 291 CB ALA A 43 6.966 -3.079 -11.429 1.00 0.00 C ATOM 0 H ALA A 43 6.458 -3.629 -9.050 1.00 0.00 H new ATOM 0 HA ALA A 43 8.424 -4.573 -10.982 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.472 -2.749 -12.336 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.203 -3.814 -11.686 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.496 -2.223 -10.944 1.00 0.00 H new ATOM 297 N SER A 44 8.890 -1.495 -9.934 1.00 0.00 N ATOM 298 CA SER A 44 9.840 -0.441 -9.569 1.00 0.00 C ATOM 299 C SER A 44 9.980 -0.296 -8.048 1.00 0.00 C ATOM 300 O SER A 44 10.689 0.589 -7.573 1.00 0.00 O ATOM 301 CB SER A 44 9.395 0.889 -10.205 1.00 0.00 C ATOM 302 OG SER A 44 10.179 1.186 -11.343 1.00 0.00 O ATOM 0 H SER A 44 7.937 -1.140 -10.013 1.00 0.00 H new ATOM 0 HA SER A 44 10.822 -0.718 -9.951 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.344 0.829 -10.487 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.484 1.694 -9.476 1.00 0.00 H new ATOM 0 HG SER A 44 9.880 2.033 -11.734 1.00 0.00 H new ATOM 308 N ALA A 45 9.278 -1.127 -7.282 1.00 0.00 N ATOM 309 CA ALA A 45 9.238 -1.148 -5.831 1.00 0.00 C ATOM 310 C ALA A 45 9.105 -2.626 -5.456 1.00 0.00 C ATOM 311 O ALA A 45 8.778 -3.416 -6.339 1.00 0.00 O ATOM 312 CB ALA A 45 8.034 -0.312 -5.405 1.00 0.00 C ATOM 0 H ALA A 45 8.685 -1.849 -7.690 1.00 0.00 H new ATOM 0 HA ALA A 45 10.116 -0.730 -5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.966 -0.301 -4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.151 0.708 -5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.125 -0.745 -5.821 1.00 0.00 H new ATOM 318 N PRO A 46 9.377 -3.045 -4.211 1.00 0.00 N ATOM 319 CA PRO A 46 9.273 -4.444 -3.834 1.00 0.00 C ATOM 320 C PRO A 46 7.825 -4.931 -3.914 1.00 0.00 C ATOM 321 O PRO A 46 6.886 -4.135 -4.010 1.00 0.00 O ATOM 322 CB PRO A 46 9.836 -4.536 -2.412 1.00 0.00 C ATOM 323 CG PRO A 46 9.609 -3.131 -1.861 1.00 0.00 C ATOM 324 CD PRO A 46 9.826 -2.245 -3.087 1.00 0.00 C ATOM 0 HA PRO A 46 9.832 -5.088 -4.513 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.317 -5.290 -1.820 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.893 -4.803 -2.413 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.606 -3.015 -1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.310 -2.893 -1.061 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.258 -1.318 -3.010 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.875 -1.968 -3.193 1.00 0.00 H new ATOM 332 N ALA A 47 7.655 -6.255 -3.881 1.00 0.00 N ATOM 333 CA ALA A 47 6.349 -6.890 -3.889 1.00 0.00 C ATOM 334 C ALA A 47 5.629 -6.525 -2.599 1.00 0.00 C ATOM 335 O ALA A 47 6.120 -6.870 -1.524 1.00 0.00 O ATOM 336 CB ALA A 47 6.511 -8.410 -3.996 1.00 0.00 C ATOM 0 H ALA A 47 8.431 -6.916 -3.848 1.00 0.00 H new ATOM 0 HA ALA A 47 5.768 -6.546 -4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.528 -8.881 -4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.036 -8.656 -4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.084 -8.776 -3.144 1.00 0.00 H new ATOM 342 N ILE A 48 4.498 -5.820 -2.695 1.00 0.00 N ATOM 343 CA ILE A 48 3.698 -5.496 -1.519 1.00 0.00 C ATOM 344 C ILE A 48 2.337 -6.170 -1.547 1.00 0.00 C ATOM 345 O ILE A 48 1.641 -6.113 -0.542 1.00 0.00 O ATOM 346 CB ILE A 48 3.672 -3.990 -1.185 1.00 0.00 C ATOM 347 CG1 ILE A 48 2.988 -3.090 -2.219 1.00 0.00 C ATOM 348 CG2 ILE A 48 5.109 -3.504 -0.980 1.00 0.00 C ATOM 349 CD1 ILE A 48 1.464 -3.061 -2.069 1.00 0.00 C ATOM 0 H ILE A 48 4.120 -5.465 -3.573 1.00 0.00 H new ATOM 0 HA ILE A 48 4.211 -5.933 -0.662 1.00 0.00 H new ATOM 0 HB ILE A 48 3.066 -3.905 -0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.377 -2.076 -2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.243 -3.437 -3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.103 -2.440 -0.743 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.566 -4.056 -0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.683 -3.669 -1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.036 -2.407 -2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.067 -4.069 -2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.203 -2.687 -1.079 1.00 0.00 H new ATOM 361 N ASP A 49 1.981 -6.890 -2.615 1.00 0.00 N ATOM 362 CA ASP A 49 0.846 -7.809 -2.611 1.00 0.00 C ATOM 363 C ASP A 49 0.720 -8.564 -1.275 1.00 0.00 C ATOM 364 O ASP A 49 -0.345 -8.589 -0.670 1.00 0.00 O ATOM 365 CB ASP A 49 0.951 -8.772 -3.808 1.00 0.00 C ATOM 366 CG ASP A 49 2.101 -9.773 -3.728 1.00 0.00 C ATOM 367 OD1 ASP A 49 3.124 -9.449 -3.081 1.00 0.00 O ATOM 368 OD2 ASP A 49 1.933 -10.875 -4.296 1.00 0.00 O ATOM 0 H ASP A 49 2.475 -6.850 -3.507 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.069 -7.226 -2.716 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.014 -9.323 -3.896 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.062 -8.185 -4.720 1.00 0.00 H new ATOM 373 N LYS A 50 1.827 -9.124 -0.792 1.00 0.00 N ATOM 374 CA LYS A 50 1.928 -9.946 0.408 1.00 0.00 C ATOM 375 C LYS A 50 2.452 -9.156 1.601 1.00 0.00 C ATOM 376 O LYS A 50 2.726 -9.744 2.643 1.00 0.00 O ATOM 377 CB LYS A 50 2.763 -11.199 0.118 1.00 0.00 C ATOM 378 CG LYS A 50 1.898 -12.226 -0.630 1.00 0.00 C ATOM 379 CD LYS A 50 2.631 -12.802 -1.840 1.00 0.00 C ATOM 380 CE LYS A 50 3.865 -13.632 -1.481 1.00 0.00 C ATOM 381 NZ LYS A 50 4.630 -13.944 -2.703 1.00 0.00 N ATOM 0 H LYS A 50 2.728 -9.008 -1.256 1.00 0.00 H new ATOM 0 HA LYS A 50 0.926 -10.270 0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.636 -10.938 -0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.132 -11.627 1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.623 -13.034 0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.971 -11.754 -0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.940 -13.424 -2.409 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.934 -11.983 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.492 -13.083 -0.779 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.563 -14.554 -0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.467 -14.508 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.031 -14.485 -3.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.932 -13.059 -3.159 1.00 0.00 H new ATOM 395 N ALA A 51 2.642 -7.842 1.467 1.00 0.00 N ATOM 396 CA ALA A 51 3.059 -7.008 2.581 1.00 0.00 C ATOM 397 C ALA A 51 2.227 -7.307 3.828 1.00 0.00 C ATOM 398 O ALA A 51 2.814 -7.500 4.883 1.00 0.00 O ATOM 399 CB ALA A 51 2.997 -5.538 2.192 1.00 0.00 C ATOM 0 H ALA A 51 2.511 -7.336 0.591 1.00 0.00 H new ATOM 0 HA ALA A 51 4.095 -7.241 2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.312 -4.925 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.659 -5.357 1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.975 -5.278 1.916 1.00 0.00 H new ATOM 405 N GLY A 52 0.899 -7.438 3.706 1.00 0.00 N ATOM 406 CA GLY A 52 0.029 -7.831 4.811 1.00 0.00 C ATOM 407 C GLY A 52 0.475 -9.089 5.566 1.00 0.00 C ATOM 408 O GLY A 52 0.156 -9.259 6.742 1.00 0.00 O ATOM 0 H GLY A 52 0.401 -7.272 2.832 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.033 -7.003 5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.976 -7.995 4.423 1.00 0.00 H new ATOM 412 N ALA A 53 1.164 -10.013 4.891 1.00 0.00 N ATOM 413 CA ALA A 53 1.687 -11.223 5.508 1.00 0.00 C ATOM 414 C ALA A 53 2.862 -10.890 6.428 1.00 0.00 C ATOM 415 O ALA A 53 2.983 -11.461 7.509 1.00 0.00 O ATOM 416 CB ALA A 53 2.120 -12.223 4.429 1.00 0.00 C ATOM 0 H ALA A 53 1.373 -9.937 3.896 1.00 0.00 H new ATOM 0 HA ALA A 53 0.898 -11.676 6.108 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.509 -13.124 4.903 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.263 -12.482 3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.896 -11.775 3.808 1.00 0.00 H new ATOM 422 N ASN A 54 3.744 -9.995 5.976 1.00 0.00 N ATOM 423 CA ASN A 54 4.989 -9.677 6.670 1.00 0.00 C ATOM 424 C ASN A 54 4.760 -8.604 7.730 1.00 0.00 C ATOM 425 O ASN A 54 5.307 -8.680 8.827 1.00 0.00 O ATOM 426 CB ASN A 54 6.041 -9.176 5.670 1.00 0.00 C ATOM 427 CG ASN A 54 6.464 -10.247 4.667 1.00 0.00 C ATOM 428 OD1 ASN A 54 6.711 -11.391 5.029 1.00 0.00 O ATOM 429 ND2 ASN A 54 6.564 -9.887 3.391 1.00 0.00 N ATOM 0 H ASN A 54 3.611 -9.469 5.112 1.00 0.00 H new ATOM 0 HA ASN A 54 5.345 -10.587 7.154 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.642 -8.317 5.130 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.918 -8.830 6.216 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.852 -10.569 2.690 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.353 -8.928 3.114 1.00 0.00 H new ATOM 436 N TYR A 55 4.000 -7.574 7.360 1.00 0.00 N ATOM 437 CA TYR A 55 3.768 -6.350 8.108 1.00 0.00 C ATOM 438 C TYR A 55 2.258 -6.205 8.306 1.00 0.00 C ATOM 439 O TYR A 55 1.483 -6.726 7.507 1.00 0.00 O ATOM 440 CB TYR A 55 4.298 -5.146 7.311 1.00 0.00 C ATOM 441 CG TYR A 55 5.714 -5.215 6.761 1.00 0.00 C ATOM 442 CD1 TYR A 55 6.731 -5.912 7.442 1.00 0.00 C ATOM 443 CD2 TYR A 55 6.036 -4.478 5.605 1.00 0.00 C ATOM 444 CE1 TYR A 55 8.032 -5.960 6.911 1.00 0.00 C ATOM 445 CE2 TYR A 55 7.347 -4.492 5.097 1.00 0.00 C ATOM 446 CZ TYR A 55 8.341 -5.242 5.744 1.00 0.00 C ATOM 447 OH TYR A 55 9.606 -5.268 5.238 1.00 0.00 O ATOM 0 H TYR A 55 3.500 -7.578 6.471 1.00 0.00 H new ATOM 0 HA TYR A 55 4.281 -6.387 9.069 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.623 -4.979 6.472 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.233 -4.267 7.953 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.511 -6.411 8.374 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.272 -3.899 5.106 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.794 -6.549 7.400 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.589 -3.926 4.210 1.00 0.00 H new ATOM 0 HH TYR A 55 9.645 -4.718 4.428 1.00 0.00 H new ATOM 457 N SER A 56 1.832 -5.492 9.347 1.00 0.00 N ATOM 458 CA SER A 56 0.417 -5.319 9.659 1.00 0.00 C ATOM 459 C SER A 56 -0.113 -4.010 9.067 1.00 0.00 C ATOM 460 O SER A 56 0.660 -3.171 8.601 1.00 0.00 O ATOM 461 CB SER A 56 0.229 -5.370 11.177 1.00 0.00 C ATOM 462 OG SER A 56 0.316 -6.699 11.648 1.00 0.00 O ATOM 0 H SER A 56 2.459 -5.018 9.997 1.00 0.00 H new ATOM 0 HA SER A 56 -0.159 -6.128 9.209 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.988 -4.757 11.663 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.740 -4.948 11.443 1.00 0.00 H new ATOM 0 HG SER A 56 0.198 -6.710 12.621 1.00 0.00 H new ATOM 468 N GLU A 57 -1.441 -3.829 9.098 1.00 0.00 N ATOM 469 CA GLU A 57 -2.070 -2.613 8.608 1.00 0.00 C ATOM 470 C GLU A 57 -1.432 -1.376 9.250 1.00 0.00 C ATOM 471 O GLU A 57 -1.118 -0.435 8.540 1.00 0.00 O ATOM 472 CB GLU A 57 -3.598 -2.652 8.772 1.00 0.00 C ATOM 473 CG GLU A 57 -4.093 -2.969 10.191 1.00 0.00 C ATOM 474 CD GLU A 57 -5.143 -1.957 10.629 1.00 0.00 C ATOM 475 OE1 GLU A 57 -4.770 -0.767 10.702 1.00 0.00 O ATOM 476 OE2 GLU A 57 -6.292 -2.389 10.855 1.00 0.00 O ATOM 0 H GLU A 57 -2.097 -4.520 9.462 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.889 -2.545 7.535 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.005 -1.687 8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.002 -3.398 8.088 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.514 -3.974 10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.254 -2.955 10.887 1.00 0.00 H new ATOM 483 N GLU A 58 -1.167 -1.401 10.557 1.00 0.00 N ATOM 484 CA GLU A 58 -0.486 -0.335 11.280 1.00 0.00 C ATOM 485 C GLU A 58 0.804 0.111 10.564 1.00 0.00 C ATOM 486 O GLU A 58 0.980 1.290 10.254 1.00 0.00 O ATOM 487 CB GLU A 58 -0.271 -0.797 12.733 1.00 0.00 C ATOM 488 CG GLU A 58 0.539 -2.099 12.866 1.00 0.00 C ATOM 489 CD GLU A 58 0.076 -2.958 14.038 1.00 0.00 C ATOM 490 OE1 GLU A 58 0.020 -2.417 15.161 1.00 0.00 O ATOM 491 OE2 GLU A 58 -0.228 -4.144 13.777 1.00 0.00 O ATOM 0 H GLU A 58 -1.428 -2.185 11.154 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.102 0.564 11.301 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.240 -0.006 13.282 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.243 -0.937 13.206 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.453 -2.673 11.943 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.594 -1.855 12.993 1.00 0.00 H new ATOM 498 N GLU A 59 1.682 -0.843 10.250 1.00 0.00 N ATOM 499 CA GLU A 59 2.930 -0.595 9.548 1.00 0.00 C ATOM 500 C GLU A 59 2.636 -0.015 8.164 1.00 0.00 C ATOM 501 O GLU A 59 3.162 1.023 7.772 1.00 0.00 O ATOM 502 CB GLU A 59 3.697 -1.920 9.403 1.00 0.00 C ATOM 503 CG GLU A 59 4.048 -2.593 10.736 1.00 0.00 C ATOM 504 CD GLU A 59 5.141 -1.833 11.475 1.00 0.00 C ATOM 505 OE1 GLU A 59 6.310 -2.004 11.066 1.00 0.00 O ATOM 506 OE2 GLU A 59 4.790 -1.104 12.424 1.00 0.00 O ATOM 0 H GLU A 59 1.538 -1.825 10.483 1.00 0.00 H new ATOM 0 HA GLU A 59 3.533 0.117 10.111 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.099 -2.610 8.807 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.617 -1.735 8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.157 -2.650 11.361 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.375 -3.616 10.553 1.00 0.00 H new ATOM 513 N ILE A 60 1.803 -0.714 7.394 1.00 0.00 N ATOM 514 CA ILE A 60 1.566 -0.391 5.992 1.00 0.00 C ATOM 515 C ILE A 60 0.981 1.020 5.894 1.00 0.00 C ATOM 516 O ILE A 60 1.456 1.845 5.115 1.00 0.00 O ATOM 517 CB ILE A 60 0.682 -1.475 5.349 1.00 0.00 C ATOM 518 CG1 ILE A 60 1.416 -2.826 5.375 1.00 0.00 C ATOM 519 CG2 ILE A 60 0.310 -1.105 3.908 1.00 0.00 C ATOM 520 CD1 ILE A 60 0.506 -4.034 5.148 1.00 0.00 C ATOM 0 H ILE A 60 1.274 -1.520 7.727 1.00 0.00 H new ATOM 0 HA ILE A 60 2.499 -0.387 5.428 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.240 -1.551 5.925 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.193 -2.820 4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.917 -2.937 6.337 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.314 -1.890 3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.238 -0.163 3.904 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.218 -0.999 3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.099 -4.948 5.181 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.255 -4.067 5.927 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.025 -3.949 4.174 1.00 0.00 H new ATOM 532 N LEU A 61 -0.018 1.300 6.729 1.00 0.00 N ATOM 533 CA LEU A 61 -0.609 2.609 6.945 1.00 0.00 C ATOM 534 C LEU A 61 0.481 3.642 7.142 1.00 0.00 C ATOM 535 O LEU A 61 0.529 4.637 6.415 1.00 0.00 O ATOM 536 CB LEU A 61 -1.504 2.568 8.189 1.00 0.00 C ATOM 537 CG LEU A 61 -2.272 3.870 8.460 1.00 0.00 C ATOM 538 CD1 LEU A 61 -3.197 4.223 7.297 1.00 0.00 C ATOM 539 CD2 LEU A 61 -3.105 3.724 9.735 1.00 0.00 C ATOM 0 H LEU A 61 -0.456 0.578 7.301 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.206 2.879 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.220 1.754 8.080 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.888 2.336 9.058 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.541 4.670 8.578 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.726 5.150 7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.607 4.352 6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.919 3.420 7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.648 4.650 9.923 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.815 2.906 9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.447 3.512 10.577 1.00 0.00 H new ATOM 551 N ASP A 62 1.351 3.404 8.127 1.00 0.00 N ATOM 552 CA ASP A 62 2.411 4.350 8.411 1.00 0.00 C ATOM 553 C ASP A 62 3.228 4.579 7.147 1.00 0.00 C ATOM 554 O ASP A 62 3.407 5.721 6.735 1.00 0.00 O ATOM 555 CB ASP A 62 3.290 3.890 9.573 1.00 0.00 C ATOM 556 CG ASP A 62 4.213 5.029 9.982 1.00 0.00 C ATOM 557 OD1 ASP A 62 3.685 6.025 10.532 1.00 0.00 O ATOM 558 OD2 ASP A 62 5.416 4.931 9.668 1.00 0.00 O ATOM 0 H ASP A 62 1.337 2.578 8.726 1.00 0.00 H new ATOM 0 HA ASP A 62 1.964 5.294 8.723 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.670 3.588 10.417 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.876 3.019 9.279 1.00 0.00 H new ATOM 563 N ILE A 63 3.634 3.504 6.468 1.00 0.00 N ATOM 564 CA ILE A 63 4.438 3.633 5.257 1.00 0.00 C ATOM 565 C ILE A 63 3.706 4.511 4.236 1.00 0.00 C ATOM 566 O ILE A 63 4.297 5.411 3.650 1.00 0.00 O ATOM 567 CB ILE A 63 4.809 2.248 4.676 1.00 0.00 C ATOM 568 CG1 ILE A 63 6.144 1.699 5.217 1.00 0.00 C ATOM 569 CG2 ILE A 63 4.899 2.297 3.145 1.00 0.00 C ATOM 570 CD1 ILE A 63 5.961 0.876 6.490 1.00 0.00 C ATOM 0 H ILE A 63 3.420 2.543 6.735 1.00 0.00 H new ATOM 0 HA ILE A 63 5.378 4.123 5.510 1.00 0.00 H new ATOM 0 HB ILE A 63 4.008 1.580 4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.616 1.081 4.453 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.820 2.530 5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.161 1.310 2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.936 2.601 2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.663 3.015 2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.930 0.512 6.831 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.515 1.499 7.265 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.307 0.028 6.284 1.00 0.00 H new ATOM 582 N ILE A 64 2.420 4.271 4.001 1.00 0.00 N ATOM 583 CA ILE A 64 1.656 5.045 3.031 1.00 0.00 C ATOM 584 C ILE A 64 1.661 6.524 3.424 1.00 0.00 C ATOM 585 O ILE A 64 1.927 7.405 2.603 1.00 0.00 O ATOM 586 CB ILE A 64 0.239 4.468 2.952 1.00 0.00 C ATOM 587 CG1 ILE A 64 0.318 3.045 2.385 1.00 0.00 C ATOM 588 CG2 ILE A 64 -0.676 5.334 2.080 1.00 0.00 C ATOM 589 CD1 ILE A 64 -0.841 2.215 2.916 1.00 0.00 C ATOM 0 H ILE A 64 1.883 3.543 4.472 1.00 0.00 H new ATOM 0 HA ILE A 64 2.108 4.978 2.041 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.189 4.452 3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.287 3.075 1.296 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.266 2.584 2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.672 4.893 2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.737 6.337 2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.271 5.389 1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.781 1.205 2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.790 2.173 4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.784 2.672 2.614 1.00 0.00 H new ATOM 601 N LEU A 65 1.376 6.788 4.697 1.00 0.00 N ATOM 602 CA LEU A 65 1.297 8.132 5.237 1.00 0.00 C ATOM 603 C LEU A 65 2.666 8.827 5.311 1.00 0.00 C ATOM 604 O LEU A 65 2.706 10.061 5.315 1.00 0.00 O ATOM 605 CB LEU A 65 0.664 8.067 6.630 1.00 0.00 C ATOM 606 CG LEU A 65 -0.799 7.590 6.686 1.00 0.00 C ATOM 607 CD1 LEU A 65 -1.194 7.403 8.154 1.00 0.00 C ATOM 608 CD2 LEU A 65 -1.728 8.620 6.060 1.00 0.00 C ATOM 0 H LEU A 65 1.192 6.060 5.387 1.00 0.00 H new ATOM 0 HA LEU A 65 0.684 8.728 4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.266 7.402 7.250 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.719 9.059 7.079 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.887 6.655 6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.229 7.065 8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.543 6.660 8.614 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.092 8.351 8.682 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.756 8.261 6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.645 9.562 6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.449 8.776 5.018 1.00 0.00 H new ATOM 620 N ASN A 66 3.758 8.062 5.433 1.00 0.00 N ATOM 621 CA ASN A 66 5.113 8.551 5.696 1.00 0.00 C ATOM 622 C ASN A 66 5.973 8.483 4.439 1.00 0.00 C ATOM 623 O ASN A 66 6.493 9.498 3.987 1.00 0.00 O ATOM 624 CB ASN A 66 5.789 7.713 6.793 1.00 0.00 C ATOM 625 CG ASN A 66 5.310 8.071 8.197 1.00 0.00 C ATOM 626 OD1 ASN A 66 6.037 8.689 8.969 1.00 0.00 O ATOM 627 ND2 ASN A 66 4.085 7.684 8.523 1.00 0.00 N ATOM 0 H ASN A 66 3.718 7.046 5.348 1.00 0.00 H new ATOM 0 HA ASN A 66 5.025 9.587 6.022 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.595 6.657 6.607 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.868 7.853 6.736 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.712 7.898 9.448 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.516 7.172 7.849 1.00 0.00 H new ATOM 634 N GLY A 67 6.150 7.270 3.915 1.00 0.00 N ATOM 635 CA GLY A 67 7.049 6.903 2.837 1.00 0.00 C ATOM 636 C GLY A 67 7.760 5.595 3.189 1.00 0.00 C ATOM 637 O GLY A 67 7.388 4.899 4.130 1.00 0.00 O ATOM 0 H GLY A 67 5.628 6.465 4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.491 6.788 1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.780 7.694 2.674 1.00 0.00 H new ATOM 641 N GLN A 68 8.799 5.287 2.418 1.00 0.00 N ATOM 642 CA GLN A 68 9.787 4.228 2.598 1.00 0.00 C ATOM 643 C GLN A 68 10.985 4.722 1.767 1.00 0.00 C ATOM 644 O GLN A 68 10.785 5.618 0.954 1.00 0.00 O ATOM 645 CB GLN A 68 9.258 2.859 2.094 1.00 0.00 C ATOM 646 CG GLN A 68 10.287 1.734 2.209 1.00 0.00 C ATOM 647 CD GLN A 68 10.880 1.520 3.590 1.00 0.00 C ATOM 648 OE1 GLN A 68 11.620 2.364 4.087 1.00 0.00 O ATOM 649 NE2 GLN A 68 10.616 0.363 4.180 1.00 0.00 N ATOM 0 H GLN A 68 8.988 5.824 1.571 1.00 0.00 H new ATOM 0 HA GLN A 68 10.041 4.054 3.644 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.369 2.589 2.664 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.952 2.957 1.053 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.818 0.804 1.887 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.100 1.938 1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.995 -0.309 3.730 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.034 0.145 5.084 1.00 0.00 H new ATOM 658 N GLY A 69 12.195 4.178 1.943 1.00 0.00 N ATOM 659 CA GLY A 69 13.422 4.546 1.220 1.00 0.00 C ATOM 660 C GLY A 69 13.234 5.369 -0.070 1.00 0.00 C ATOM 661 O GLY A 69 13.337 6.592 -0.029 1.00 0.00 O ATOM 0 H GLY A 69 12.355 3.435 2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.061 5.113 1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.958 3.631 0.967 1.00 0.00 H new ATOM 665 N GLY A 70 12.960 4.725 -1.213 1.00 0.00 N ATOM 666 CA GLY A 70 12.733 5.404 -2.489 1.00 0.00 C ATOM 667 C GLY A 70 11.251 5.671 -2.787 1.00 0.00 C ATOM 668 O GLY A 70 10.889 5.901 -3.940 1.00 0.00 O ATOM 0 H GLY A 70 12.890 3.709 -1.275 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.271 6.352 -2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.154 4.800 -3.293 1.00 0.00 H new ATOM 672 N MET A 71 10.386 5.638 -1.772 1.00 0.00 N ATOM 673 CA MET A 71 8.949 5.856 -1.890 1.00 0.00 C ATOM 674 C MET A 71 8.610 7.261 -1.382 1.00 0.00 C ATOM 675 O MET A 71 8.975 7.587 -0.254 1.00 0.00 O ATOM 676 CB MET A 71 8.250 4.805 -1.031 1.00 0.00 C ATOM 677 CG MET A 71 6.725 4.866 -1.076 1.00 0.00 C ATOM 678 SD MET A 71 5.950 3.433 -0.287 1.00 0.00 S ATOM 679 CE MET A 71 4.379 4.188 0.206 1.00 0.00 C ATOM 0 H MET A 71 10.680 5.452 -0.813 1.00 0.00 H new ATOM 0 HA MET A 71 8.623 5.772 -2.927 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.572 3.815 -1.356 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.576 4.923 0.002 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.386 5.776 -0.581 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.398 4.926 -2.114 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.748 3.437 0.682 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.570 4.999 0.908 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.872 4.582 -0.675 1.00 0.00 H new ATOM 689 N PRO A 72 7.894 8.091 -2.158 1.00 0.00 N ATOM 690 CA PRO A 72 7.672 9.488 -1.815 1.00 0.00 C ATOM 691 C PRO A 72 6.858 9.643 -0.533 1.00 0.00 C ATOM 692 O PRO A 72 7.157 10.504 0.290 1.00 0.00 O ATOM 693 CB PRO A 72 6.990 10.117 -3.035 1.00 0.00 C ATOM 694 CG PRO A 72 6.342 8.931 -3.747 1.00 0.00 C ATOM 695 CD PRO A 72 7.308 7.785 -3.449 1.00 0.00 C ATOM 0 HA PRO A 72 8.611 9.997 -1.597 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.248 10.859 -2.739 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.710 10.624 -3.678 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.342 8.727 -3.364 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.243 9.108 -4.818 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.785 6.829 -3.425 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.075 7.710 -4.219 1.00 0.00 H new ATOM 703 N GLY A 73 5.831 8.809 -0.366 1.00 0.00 N ATOM 704 CA GLY A 73 4.990 8.829 0.815 1.00 0.00 C ATOM 705 C GLY A 73 3.956 9.945 0.752 1.00 0.00 C ATOM 706 O GLY A 73 4.042 10.864 -0.060 1.00 0.00 O ATOM 0 H GLY A 73 5.565 8.102 -1.051 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.484 7.869 0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.611 8.958 1.702 1.00 0.00 H new ATOM 710 N GLY A 74 2.915 9.821 1.577 1.00 0.00 N ATOM 711 CA GLY A 74 1.780 10.732 1.560 1.00 0.00 C ATOM 712 C GLY A 74 1.021 10.669 0.236 1.00 0.00 C ATOM 713 O GLY A 74 0.278 11.584 -0.107 1.00 0.00 O ATOM 0 H GLY A 74 2.840 9.082 2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.104 10.485 2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.129 11.750 1.731 1.00 0.00 H new ATOM 717 N ILE A 75 1.177 9.551 -0.476 1.00 0.00 N ATOM 718 CA ILE A 75 0.509 9.251 -1.729 1.00 0.00 C ATOM 719 C ILE A 75 -1.000 9.138 -1.499 1.00 0.00 C ATOM 720 O ILE A 75 -1.789 9.400 -2.405 1.00 0.00 O ATOM 721 CB ILE A 75 1.105 7.934 -2.249 1.00 0.00 C ATOM 722 CG1 ILE A 75 2.586 8.107 -2.633 1.00 0.00 C ATOM 723 CG2 ILE A 75 0.340 7.374 -3.451 1.00 0.00 C ATOM 724 CD1 ILE A 75 3.363 6.861 -2.213 1.00 0.00 C ATOM 0 H ILE A 75 1.801 8.802 -0.176 1.00 0.00 H new ATOM 0 HA ILE A 75 0.659 10.041 -2.465 1.00 0.00 H new ATOM 0 HB ILE A 75 1.018 7.222 -1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.679 8.263 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.000 8.990 -2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.805 6.443 -3.777 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.695 7.183 -3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.365 8.097 -4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.413 6.979 -2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.278 6.726 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.953 5.988 -2.721 1.00 0.00 H new ATOM 736 N ALA A 76 -1.391 8.716 -0.293 1.00 0.00 N ATOM 737 CA ALA A 76 -2.769 8.594 0.135 1.00 0.00 C ATOM 738 C ALA A 76 -2.764 8.949 1.616 1.00 0.00 C ATOM 739 O ALA A 76 -1.785 8.622 2.287 1.00 0.00 O ATOM 740 CB ALA A 76 -3.217 7.148 -0.100 1.00 0.00 C ATOM 0 H ALA A 76 -0.726 8.443 0.430 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.456 9.244 -0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.254 7.032 0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.132 6.908 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.585 6.473 0.477 1.00 0.00 H new ATOM 746 N LYS A 77 -3.796 9.634 2.126 1.00 0.00 N ATOM 747 CA LYS A 77 -3.931 9.968 3.533 1.00 0.00 C ATOM 748 C LYS A 77 -5.373 9.772 4.007 1.00 0.00 C ATOM 749 O LYS A 77 -6.287 9.585 3.204 1.00 0.00 O ATOM 750 CB LYS A 77 -3.406 11.390 3.805 1.00 0.00 C ATOM 751 CG LYS A 77 -1.870 11.486 3.716 1.00 0.00 C ATOM 752 CD LYS A 77 -1.209 12.218 4.900 1.00 0.00 C ATOM 753 CE LYS A 77 0.322 12.052 4.801 1.00 0.00 C ATOM 754 NZ LYS A 77 1.018 11.962 6.102 1.00 0.00 N ATOM 0 H LYS A 77 -4.570 9.974 1.554 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.316 9.284 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.851 12.080 3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.729 11.708 4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.458 10.479 3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.603 11.999 2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.475 13.275 4.885 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.572 11.811 5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.540 11.153 4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.730 12.895 4.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.639 11.128 6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.588 12.819 6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.317 11.876 6.865 1.00 0.00 H new ATOM 768 N GLY A 78 -5.558 9.777 5.331 1.00 0.00 N ATOM 769 CA GLY A 78 -6.845 9.560 5.973 1.00 0.00 C ATOM 770 C GLY A 78 -7.487 8.262 5.486 1.00 0.00 C ATOM 771 O GLY A 78 -6.804 7.247 5.340 1.00 0.00 O ATOM 0 H GLY A 78 -4.799 9.936 5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.714 9.522 7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.507 10.399 5.761 1.00 0.00 H new ATOM 775 N ALA A 79 -8.788 8.330 5.179 1.00 0.00 N ATOM 776 CA ALA A 79 -9.580 7.216 4.676 1.00 0.00 C ATOM 777 C ALA A 79 -8.869 6.471 3.547 1.00 0.00 C ATOM 778 O ALA A 79 -8.975 5.252 3.461 1.00 0.00 O ATOM 779 CB ALA A 79 -10.943 7.720 4.197 1.00 0.00 C ATOM 0 H ALA A 79 -9.328 9.189 5.279 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.717 6.512 5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.530 6.881 3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.470 8.189 5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.801 8.449 3.399 1.00 0.00 H new ATOM 785 N GLU A 80 -8.151 7.196 2.685 1.00 0.00 N ATOM 786 CA GLU A 80 -7.420 6.598 1.586 1.00 0.00 C ATOM 787 C GLU A 80 -6.374 5.622 2.142 1.00 0.00 C ATOM 788 O GLU A 80 -6.398 4.433 1.823 1.00 0.00 O ATOM 789 CB GLU A 80 -6.866 7.726 0.694 1.00 0.00 C ATOM 790 CG GLU A 80 -6.710 7.307 -0.774 1.00 0.00 C ATOM 791 CD GLU A 80 -6.222 8.437 -1.672 1.00 0.00 C ATOM 792 OE1 GLU A 80 -5.774 9.466 -1.123 1.00 0.00 O ATOM 793 OE2 GLU A 80 -6.306 8.257 -2.908 1.00 0.00 O ATOM 0 H GLU A 80 -8.066 8.211 2.737 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.058 5.993 0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.531 8.587 0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.898 8.045 1.080 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.009 6.475 -0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.668 6.944 -1.145 1.00 0.00 H new ATOM 800 N ALA A 81 -5.489 6.093 3.026 1.00 0.00 N ATOM 801 CA ALA A 81 -4.439 5.254 3.572 1.00 0.00 C ATOM 802 C ALA A 81 -5.016 4.162 4.475 1.00 0.00 C ATOM 803 O ALA A 81 -4.549 3.028 4.423 1.00 0.00 O ATOM 804 CB ALA A 81 -3.423 6.124 4.305 1.00 0.00 C ATOM 0 H ALA A 81 -5.486 7.052 3.373 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.928 4.743 2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.634 5.494 4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.989 6.842 3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.919 6.659 5.115 1.00 0.00 H new ATOM 810 N GLU A 82 -6.029 4.481 5.288 1.00 0.00 N ATOM 811 CA GLU A 82 -6.716 3.489 6.111 1.00 0.00 C ATOM 812 C GLU A 82 -7.279 2.356 5.249 1.00 0.00 C ATOM 813 O GLU A 82 -6.996 1.181 5.498 1.00 0.00 O ATOM 814 CB GLU A 82 -7.827 4.159 6.924 1.00 0.00 C ATOM 815 CG GLU A 82 -7.275 4.857 8.172 1.00 0.00 C ATOM 816 CD GLU A 82 -8.402 5.492 8.977 1.00 0.00 C ATOM 817 OE1 GLU A 82 -9.304 4.730 9.386 1.00 0.00 O ATOM 818 OE2 GLU A 82 -8.355 6.730 9.142 1.00 0.00 O ATOM 0 H GLU A 82 -6.391 5.429 5.391 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.994 3.052 6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.346 4.886 6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.562 3.411 7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.740 4.137 8.791 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.555 5.621 7.879 1.00 0.00 H new ATOM 825 N ALA A 83 -8.076 2.710 4.234 1.00 0.00 N ATOM 826 CA ALA A 83 -8.669 1.746 3.322 1.00 0.00 C ATOM 827 C ALA A 83 -7.578 0.853 2.744 1.00 0.00 C ATOM 828 O ALA A 83 -7.686 -0.373 2.826 1.00 0.00 O ATOM 829 CB ALA A 83 -9.457 2.458 2.218 1.00 0.00 C ATOM 0 H ALA A 83 -8.324 3.678 4.028 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.374 1.119 3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.892 1.718 1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.252 3.054 2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.788 3.109 1.655 1.00 0.00 H new ATOM 835 N VAL A 84 -6.512 1.465 2.205 1.00 0.00 N ATOM 836 CA VAL A 84 -5.358 0.701 1.761 1.00 0.00 C ATOM 837 C VAL A 84 -4.904 -0.257 2.857 1.00 0.00 C ATOM 838 O VAL A 84 -4.922 -1.455 2.634 1.00 0.00 O ATOM 839 CB VAL A 84 -4.181 1.591 1.334 1.00 0.00 C ATOM 840 CG1 VAL A 84 -2.954 0.709 1.083 1.00 0.00 C ATOM 841 CG2 VAL A 84 -4.464 2.381 0.056 1.00 0.00 C ATOM 0 H VAL A 84 -6.434 2.473 2.071 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.676 0.140 0.882 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.013 2.305 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.113 1.333 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.697 0.174 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.177 -0.009 0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.596 2.991 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.670 1.690 -0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.328 3.027 0.211 1.00 0.00 H new ATOM 851 N ALA A 85 -4.444 0.258 3.998 1.00 0.00 N ATOM 852 CA ALA A 85 -3.821 -0.518 5.061 1.00 0.00 C ATOM 853 C ALA A 85 -4.660 -1.747 5.411 1.00 0.00 C ATOM 854 O ALA A 85 -4.145 -2.865 5.408 1.00 0.00 O ATOM 855 CB ALA A 85 -3.642 0.389 6.274 1.00 0.00 C ATOM 0 H ALA A 85 -4.498 1.254 4.210 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.850 -0.884 4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.176 -0.173 7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.007 1.233 6.006 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.615 0.756 6.601 1.00 0.00 H new ATOM 861 N ALA A 86 -5.954 -1.543 5.679 1.00 0.00 N ATOM 862 CA ALA A 86 -6.871 -2.633 5.984 1.00 0.00 C ATOM 863 C ALA A 86 -6.869 -3.674 4.862 1.00 0.00 C ATOM 864 O ALA A 86 -6.620 -4.859 5.093 1.00 0.00 O ATOM 865 CB ALA A 86 -8.278 -2.068 6.208 1.00 0.00 C ATOM 0 H ALA A 86 -6.388 -0.620 5.689 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.542 -3.133 6.895 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.965 -2.883 6.436 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.259 -1.365 7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.611 -1.554 5.306 1.00 0.00 H new ATOM 871 N TRP A 87 -7.134 -3.232 3.633 1.00 0.00 N ATOM 872 CA TRP A 87 -7.184 -4.121 2.480 1.00 0.00 C ATOM 873 C TRP A 87 -5.851 -4.844 2.275 1.00 0.00 C ATOM 874 O TRP A 87 -5.817 -6.022 1.956 1.00 0.00 O ATOM 875 CB TRP A 87 -7.595 -3.303 1.262 1.00 0.00 C ATOM 876 CG TRP A 87 -7.474 -3.970 -0.070 1.00 0.00 C ATOM 877 CD1 TRP A 87 -8.367 -4.803 -0.653 1.00 0.00 C ATOM 878 CD2 TRP A 87 -6.391 -3.831 -1.024 1.00 0.00 C ATOM 879 NE1 TRP A 87 -7.828 -5.314 -1.817 1.00 0.00 N ATOM 880 CE2 TRP A 87 -6.600 -4.751 -2.086 1.00 0.00 C ATOM 881 CE3 TRP A 87 -5.229 -3.039 -1.111 1.00 0.00 C ATOM 882 CZ2 TRP A 87 -5.632 -4.918 -3.084 1.00 0.00 C ATOM 883 CZ3 TRP A 87 -4.480 -3.039 -2.305 1.00 0.00 C ATOM 884 CH2 TRP A 87 -4.890 -3.794 -3.405 1.00 0.00 C ATOM 0 H TRP A 87 -7.319 -2.253 3.413 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.923 -4.905 2.645 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.632 -2.994 1.394 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -6.992 -2.395 1.243 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.349 -5.033 -0.267 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -8.280 -6.017 -2.402 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.915 -2.438 -0.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.474 -5.867 -3.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.578 -2.448 -2.369 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -4.648 -3.524 -4.422 1.00 0.00 H new ATOM 895 N LEU A 88 -4.735 -4.151 2.474 1.00 0.00 N ATOM 896 CA LEU A 88 -3.405 -4.698 2.286 1.00 0.00 C ATOM 897 C LEU A 88 -3.098 -5.744 3.351 1.00 0.00 C ATOM 898 O LEU A 88 -2.582 -6.811 3.036 1.00 0.00 O ATOM 899 CB LEU A 88 -2.366 -3.576 2.219 1.00 0.00 C ATOM 900 CG LEU A 88 -1.483 -3.669 0.973 1.00 0.00 C ATOM 901 CD1 LEU A 88 -0.497 -4.821 1.046 1.00 0.00 C ATOM 902 CD2 LEU A 88 -2.174 -3.616 -0.375 1.00 0.00 C ATOM 0 H LEU A 88 -4.734 -3.177 2.776 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.360 -5.216 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.875 -2.612 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.738 -3.613 3.109 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.938 -2.726 1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.105 -4.843 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.154 -4.688 1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.041 -5.760 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.430 -3.692 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.877 -4.445 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.712 -2.673 -0.471 1.00 0.00 H new ATOM 914 N ALA A 89 -3.476 -5.481 4.603 1.00 0.00 N ATOM 915 CA ALA A 89 -3.462 -6.498 5.647 1.00 0.00 C ATOM 916 C ALA A 89 -4.319 -7.695 5.240 1.00 0.00 C ATOM 917 O ALA A 89 -3.935 -8.833 5.483 1.00 0.00 O ATOM 918 CB ALA A 89 -3.918 -5.916 6.981 1.00 0.00 C ATOM 0 H ALA A 89 -3.797 -4.565 4.917 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.437 -6.846 5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.899 -6.695 7.743 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.249 -5.106 7.272 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.933 -5.530 6.882 1.00 0.00 H new ATOM 924 N GLU A 90 -5.462 -7.450 4.600 1.00 0.00 N ATOM 925 CA GLU A 90 -6.329 -8.506 4.091 1.00 0.00 C ATOM 926 C GLU A 90 -5.721 -9.176 2.842 1.00 0.00 C ATOM 927 O GLU A 90 -6.035 -10.325 2.542 1.00 0.00 O ATOM 928 CB GLU A 90 -7.726 -7.896 3.885 1.00 0.00 C ATOM 929 CG GLU A 90 -8.814 -8.869 3.395 1.00 0.00 C ATOM 930 CD GLU A 90 -9.009 -8.866 1.878 1.00 0.00 C ATOM 931 OE1 GLU A 90 -8.966 -7.761 1.291 1.00 0.00 O ATOM 932 OE2 GLU A 90 -9.245 -9.963 1.331 1.00 0.00 O ATOM 0 H GLU A 90 -5.812 -6.509 4.421 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.425 -9.327 4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.054 -7.458 4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.644 -7.080 3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.557 -9.878 3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.759 -8.613 3.874 1.00 0.00 H new ATOM 939 N LYS A 91 -4.768 -8.532 2.159 1.00 0.00 N ATOM 940 CA LYS A 91 -4.211 -8.940 0.871 1.00 0.00 C ATOM 941 C LYS A 91 -3.300 -10.182 0.929 1.00 0.00 C ATOM 942 O LYS A 91 -2.519 -10.439 0.016 1.00 0.00 O ATOM 943 CB LYS A 91 -3.573 -7.732 0.165 1.00 0.00 C ATOM 944 CG LYS A 91 -3.373 -7.851 -1.355 1.00 0.00 C ATOM 945 CD LYS A 91 -4.675 -8.206 -2.086 1.00 0.00 C ATOM 946 CE LYS A 91 -4.929 -9.726 -2.080 1.00 0.00 C ATOM 947 NZ LYS A 91 -4.844 -10.307 -3.433 1.00 0.00 N ATOM 0 H LYS A 91 -4.346 -7.672 2.509 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.044 -9.285 0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.193 -6.857 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.602 -7.543 0.623 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.986 -6.909 -1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.623 -8.614 -1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.512 -7.694 -1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.625 -7.848 -3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.201 -10.212 -1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.915 -9.927 -1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.021 -11.331 -3.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.556 -9.862 -4.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.895 -10.139 -3.824 1.00 0.00 H new ATOM 961 N LYS A 92 -3.255 -10.857 2.063 1.00 0.00 N ATOM 962 CA LYS A 92 -2.125 -11.663 2.461 1.00 0.00 C ATOM 963 C LYS A 92 -2.395 -13.161 2.335 1.00 0.00 C ATOM 964 O LYS A 92 -3.572 -13.550 2.498 1.00 0.00 O ATOM 965 CB LYS A 92 -1.813 -11.218 3.871 1.00 0.00 C ATOM 966 CG LYS A 92 -2.837 -11.674 4.921 1.00 0.00 C ATOM 967 CD LYS A 92 -2.364 -11.257 6.316 1.00 0.00 C ATOM 968 CE LYS A 92 -3.490 -11.394 7.347 1.00 0.00 C ATOM 969 NZ LYS A 92 -2.971 -11.261 8.722 1.00 0.00 N ATOM 970 OXT LYS A 92 -1.407 -13.897 2.115 1.00 0.00 O ATOM 0 H LYS A 92 -4.017 -10.858 2.741 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.267 -11.517 1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.830 -11.598 4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.751 -10.130 3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.811 -11.233 4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.961 -12.756 4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.517 -11.874 6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.014 -10.225 6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.248 -10.632 7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.977 -12.362 7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.754 -11.358 9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.265 -12.004 8.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.527 -10.327 8.837 1.00 0.00 H new