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= 1.03 K(o=1,f=-0.095) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -170:sc= -9.12! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= 0.553 K(o=0.55,f=-3.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= 3.31 (180deg=2.28) USER MOD Single : A 54 ASN : amide:sc= -0.0268 X(o=-0.027,f=-0.39) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0477 USER MOD Single : A 66 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.36) USER MOD Single : A 68 GLN : amide:sc= 0.66 K(o=0.66,f=-7.6!) USER MOD Single : A 71 MET CE :methyl 180:sc= -0.0231 (180deg=-0.0231) USER MOD Single : A 77 LYS NZ :NH3+ -101:sc= 1.33 (180deg=0.24) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -172:sc= 1.22 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 19 N ASP A 23 -12.303 3.176 -1.782 1.00 0.00 N ATOM 20 CA ASP A 23 -12.167 1.860 -2.360 1.00 0.00 C ATOM 21 C ASP A 23 -10.681 1.528 -2.410 1.00 0.00 C ATOM 22 O ASP A 23 -9.943 1.954 -3.298 1.00 0.00 O ATOM 23 CB ASP A 23 -12.817 1.899 -3.750 1.00 0.00 C ATOM 24 CG ASP A 23 -14.284 2.316 -3.687 1.00 0.00 C ATOM 25 OD1 ASP A 23 -14.532 3.398 -3.099 1.00 0.00 O ATOM 26 OD2 ASP A 23 -15.121 1.551 -4.204 1.00 0.00 O ATOM 0 HA ASP A 23 -12.662 1.082 -1.778 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.270 2.595 -4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.740 0.915 -4.213 1.00 0.00 H new ATOM 31 N ALA A 24 -10.253 0.777 -1.398 1.00 0.00 N ATOM 32 CA ALA A 24 -8.858 0.546 -1.096 1.00 0.00 C ATOM 33 C ALA A 24 -8.109 -0.002 -2.298 1.00 0.00 C ATOM 34 O ALA A 24 -7.055 0.511 -2.677 1.00 0.00 O ATOM 35 CB ALA A 24 -8.756 -0.430 0.060 1.00 0.00 C ATOM 0 H ALA A 24 -10.888 0.305 -0.755 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.402 1.499 -0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.706 -0.609 0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.256 -0.012 0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.232 -1.371 -0.215 1.00 0.00 H new ATOM 41 N GLU A 25 -8.659 -1.051 -2.908 1.00 0.00 N ATOM 42 CA GLU A 25 -8.022 -1.602 -4.077 1.00 0.00 C ATOM 43 C GLU A 25 -7.960 -0.534 -5.165 1.00 0.00 C ATOM 44 O GLU A 25 -6.901 -0.364 -5.737 1.00 0.00 O ATOM 45 CB GLU A 25 -8.636 -2.937 -4.512 1.00 0.00 C ATOM 46 CG GLU A 25 -9.744 -2.781 -5.545 1.00 0.00 C ATOM 47 CD GLU A 25 -10.355 -4.134 -5.875 1.00 0.00 C ATOM 48 OE1 GLU A 25 -11.016 -4.682 -4.967 1.00 0.00 O ATOM 49 OE2 GLU A 25 -10.125 -4.599 -7.010 1.00 0.00 O ATOM 0 H GLU A 25 -9.518 -1.517 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.993 -1.873 -3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.852 -3.573 -4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.035 -3.449 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.514 -2.110 -5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.344 -2.325 -6.451 1.00 0.00 H new ATOM 56 N ALA A 26 -9.035 0.223 -5.419 1.00 0.00 N ATOM 57 CA ALA A 26 -9.050 1.235 -6.473 1.00 0.00 C ATOM 58 C ALA A 26 -7.926 2.253 -6.282 1.00 0.00 C ATOM 59 O ALA A 26 -7.194 2.540 -7.227 1.00 0.00 O ATOM 60 CB ALA A 26 -10.404 1.941 -6.547 1.00 0.00 C ATOM 0 H ALA A 26 -9.911 0.149 -4.902 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.884 0.719 -7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.382 2.688 -7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.184 1.210 -6.758 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.612 2.430 -5.595 1.00 0.00 H new ATOM 66 N VAL A 27 -7.773 2.771 -5.057 1.00 0.00 N ATOM 67 CA VAL A 27 -6.603 3.554 -4.664 1.00 0.00 C ATOM 68 C VAL A 27 -5.368 2.802 -5.125 1.00 0.00 C ATOM 69 O VAL A 27 -4.652 3.312 -5.982 1.00 0.00 O ATOM 70 CB VAL A 27 -6.613 3.831 -3.144 1.00 0.00 C ATOM 71 CG1 VAL A 27 -5.351 4.553 -2.651 1.00 0.00 C ATOM 72 CG2 VAL A 27 -7.825 4.683 -2.745 1.00 0.00 C ATOM 0 H VAL A 27 -8.460 2.657 -4.312 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.611 4.536 -5.138 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.658 2.848 -2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.422 4.717 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.474 3.942 -2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.259 5.513 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.806 4.862 -1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.789 5.636 -3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.742 4.157 -3.009 1.00 0.00 H new ATOM 82 N VAL A 28 -5.079 1.602 -4.619 1.00 0.00 N ATOM 83 CA VAL A 28 -3.748 1.086 -4.855 1.00 0.00 C ATOM 84 C VAL A 28 -3.514 0.754 -6.337 1.00 0.00 C ATOM 85 O VAL A 28 -2.472 1.105 -6.900 1.00 0.00 O ATOM 86 CB VAL A 28 -3.528 -0.035 -3.845 1.00 0.00 C ATOM 87 CG1 VAL A 28 -2.234 -0.826 -4.054 1.00 0.00 C ATOM 88 CG2 VAL A 28 -3.609 0.582 -2.432 1.00 0.00 C ATOM 0 H VAL A 28 -5.708 1.008 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.969 1.829 -4.681 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.310 -0.781 -3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.156 -1.603 -3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.244 -1.285 -5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.380 -0.154 -3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.455 -0.197 -1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.839 1.346 -2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.590 1.034 -2.288 1.00 0.00 H new ATOM 98 N GLN A 29 -4.546 0.197 -6.967 1.00 0.00 N ATOM 99 CA GLN A 29 -4.734 -0.040 -8.390 1.00 0.00 C ATOM 100 C GLN A 29 -4.623 1.237 -9.239 1.00 0.00 C ATOM 101 O GLN A 29 -4.653 1.139 -10.462 1.00 0.00 O ATOM 102 CB GLN A 29 -6.079 -0.768 -8.604 1.00 0.00 C ATOM 103 CG GLN A 29 -6.080 -2.202 -8.050 1.00 0.00 C ATOM 104 CD GLN A 29 -5.134 -3.109 -8.829 1.00 0.00 C ATOM 105 OE1 GLN A 29 -5.439 -3.521 -9.943 1.00 0.00 O ATOM 106 NE2 GLN A 29 -3.970 -3.409 -8.261 1.00 0.00 N ATOM 0 H GLN A 29 -5.352 -0.132 -6.435 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.920 -0.675 -8.739 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.875 -0.198 -8.124 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.305 -0.796 -9.670 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.787 -2.187 -7.000 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.091 -2.608 -8.093 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.748 -3.049 -7.333 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.299 -3.999 -8.754 1.00 0.00 H new ATOM 115 N GLN A 30 -4.453 2.422 -8.636 1.00 0.00 N ATOM 116 CA GLN A 30 -4.111 3.644 -9.359 1.00 0.00 C ATOM 117 C GLN A 30 -3.041 4.515 -8.684 1.00 0.00 C ATOM 118 O GLN A 30 -2.642 5.526 -9.260 1.00 0.00 O ATOM 119 CB GLN A 30 -5.397 4.442 -9.626 1.00 0.00 C ATOM 120 CG GLN A 30 -5.519 4.688 -11.135 1.00 0.00 C ATOM 121 CD GLN A 30 -6.823 5.382 -11.499 1.00 0.00 C ATOM 122 OE1 GLN A 30 -7.699 4.794 -12.123 1.00 0.00 O ATOM 123 NE2 GLN A 30 -6.964 6.649 -11.124 1.00 0.00 N ATOM 0 H GLN A 30 -4.550 2.555 -7.629 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.649 3.336 -10.297 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.265 3.893 -9.261 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.371 5.390 -9.089 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.679 5.296 -11.472 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.456 3.737 -11.663 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.218 7.113 -10.605 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.818 7.157 -11.355 1.00 0.00 H new ATOM 132 N LYS A 31 -2.596 4.170 -7.473 1.00 0.00 N ATOM 133 CA LYS A 31 -1.731 4.997 -6.643 1.00 0.00 C ATOM 134 C LYS A 31 -0.406 4.296 -6.344 1.00 0.00 C ATOM 135 O LYS A 31 0.596 4.974 -6.120 1.00 0.00 O ATOM 136 CB LYS A 31 -2.499 5.356 -5.358 1.00 0.00 C ATOM 137 CG LYS A 31 -3.612 6.382 -5.599 1.00 0.00 C ATOM 138 CD LYS A 31 -3.031 7.782 -5.851 1.00 0.00 C ATOM 139 CE LYS A 31 -4.136 8.839 -5.754 1.00 0.00 C ATOM 140 NZ LYS A 31 -3.594 10.208 -5.843 1.00 0.00 N ATOM 0 H LYS A 31 -2.837 3.281 -7.035 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.470 5.912 -7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.932 4.450 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.800 5.751 -4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.214 6.076 -6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.277 6.411 -4.736 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.249 7.995 -5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.568 7.819 -6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.860 8.682 -6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.671 8.720 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.372 10.895 -5.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.922 10.366 -5.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.105 10.329 -6.753 1.00 0.00 H new ATOM 154 N CYS A 32 -0.386 2.959 -6.324 1.00 0.00 N ATOM 155 CA CYS A 32 0.793 2.182 -5.957 1.00 0.00 C ATOM 156 C CYS A 32 1.316 1.382 -7.140 1.00 0.00 C ATOM 157 O CYS A 32 2.532 1.273 -7.311 1.00 0.00 O ATOM 158 CB CYS A 32 0.498 1.258 -4.776 1.00 0.00 C ATOM 159 SG CYS A 32 -0.765 1.929 -3.654 1.00 0.00 S ATOM 0 H CYS A 32 -1.195 2.386 -6.564 1.00 0.00 H new ATOM 0 HA CYS A 32 1.568 2.887 -5.655 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.166 0.290 -5.152 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.418 1.085 -4.218 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.816 1.205 -2.575 1.00 0.00 H new ATOM 164 N ILE A 33 0.410 0.843 -7.968 1.00 0.00 N ATOM 165 CA ILE A 33 0.791 0.050 -9.130 1.00 0.00 C ATOM 166 C ILE A 33 1.821 0.782 -9.996 1.00 0.00 C ATOM 167 O ILE A 33 2.680 0.139 -10.595 1.00 0.00 O ATOM 168 CB ILE A 33 -0.430 -0.388 -9.953 1.00 0.00 C ATOM 169 CG1 ILE A 33 -1.243 0.790 -10.518 1.00 0.00 C ATOM 170 CG2 ILE A 33 -1.318 -1.328 -9.126 1.00 0.00 C ATOM 171 CD1 ILE A 33 -2.068 0.362 -11.736 1.00 0.00 C ATOM 0 H ILE A 33 -0.597 0.947 -7.847 1.00 0.00 H new ATOM 0 HA ILE A 33 1.264 -0.858 -8.756 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.047 -0.926 -10.821 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.906 1.181 -9.746 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.569 1.599 -10.799 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.180 -1.631 -9.721 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.746 -2.211 -8.840 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.660 -0.811 -8.229 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.631 1.216 -12.112 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.401 -0.005 -12.516 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.759 -0.430 -11.447 1.00 0.00 H new ATOM 183 N SER A 34 1.759 2.120 -10.009 1.00 0.00 N ATOM 184 CA SER A 34 2.757 3.003 -10.594 1.00 0.00 C ATOM 185 C SER A 34 4.193 2.506 -10.399 1.00 0.00 C ATOM 186 O SER A 34 4.990 2.628 -11.325 1.00 0.00 O ATOM 187 CB SER A 34 2.595 4.416 -10.017 1.00 0.00 C ATOM 188 OG SER A 34 1.608 5.121 -10.739 1.00 0.00 O ATOM 0 H SER A 34 0.979 2.629 -9.594 1.00 0.00 H new ATOM 0 HA SER A 34 2.583 3.016 -11.670 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.316 4.359 -8.965 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.544 4.949 -10.067 1.00 0.00 H new ATOM 0 HG SER A 34 1.509 6.021 -10.364 1.00 0.00 H new ATOM 194 N CYS A 35 4.525 1.986 -9.210 1.00 0.00 N ATOM 195 CA CYS A 35 5.851 1.449 -8.917 1.00 0.00 C ATOM 196 C CYS A 35 5.765 -0.029 -8.525 1.00 0.00 C ATOM 197 O CYS A 35 6.591 -0.838 -8.944 1.00 0.00 O ATOM 198 CB CYS A 35 6.564 2.294 -7.848 1.00 0.00 C ATOM 199 SG CYS A 35 6.261 4.070 -8.123 1.00 0.00 S ATOM 0 H CYS A 35 3.876 1.928 -8.425 1.00 0.00 H new ATOM 0 HA CYS A 35 6.455 1.507 -9.822 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.211 2.009 -6.857 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.635 2.094 -7.874 1.00 0.00 H new ATOM 0 HG CYS A 35 6.871 4.761 -7.207 1.00 0.00 H new ATOM 204 N HIS A 36 4.763 -0.407 -7.730 1.00 0.00 N ATOM 205 CA HIS A 36 4.613 -1.775 -7.256 1.00 0.00 C ATOM 206 C HIS A 36 4.076 -2.730 -8.334 1.00 0.00 C ATOM 207 O HIS A 36 4.104 -3.944 -8.134 1.00 0.00 O ATOM 208 CB HIS A 36 3.768 -1.766 -5.978 1.00 0.00 C ATOM 209 CG HIS A 36 4.491 -1.151 -4.802 1.00 0.00 C ATOM 210 ND1 HIS A 36 5.405 -1.801 -4.003 1.00 0.00 N ATOM 211 CD2 HIS A 36 4.345 0.123 -4.313 1.00 0.00 C ATOM 212 CE1 HIS A 36 5.774 -0.941 -3.038 1.00 0.00 C ATOM 213 NE2 HIS A 36 5.165 0.246 -3.183 1.00 0.00 N ATOM 0 H HIS A 36 4.036 0.228 -7.400 1.00 0.00 H new ATOM 0 HA HIS A 36 5.598 -2.176 -7.018 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.846 -1.214 -6.161 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.483 -2.788 -5.729 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.740 -2.757 -4.121 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.711 0.894 -4.726 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.471 -1.175 -2.247 1.00 0.00 H new ATOM 221 N GLY A 37 3.634 -2.220 -9.489 1.00 0.00 N ATOM 222 CA GLY A 37 3.146 -3.037 -10.593 1.00 0.00 C ATOM 223 C GLY A 37 1.692 -3.453 -10.370 1.00 0.00 C ATOM 224 O GLY A 37 1.236 -3.512 -9.232 1.00 0.00 O ATOM 0 H GLY A 37 3.607 -1.218 -9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.229 -2.480 -11.526 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.770 -3.925 -10.696 1.00 0.00 H new ATOM 228 N GLY A 38 0.964 -3.734 -11.458 1.00 0.00 N ATOM 229 CA GLY A 38 -0.470 -4.027 -11.461 1.00 0.00 C ATOM 230 C GLY A 38 -0.910 -4.954 -10.325 1.00 0.00 C ATOM 231 O GLY A 38 -1.771 -4.598 -9.522 1.00 0.00 O ATOM 0 H GLY A 38 1.374 -3.764 -12.392 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.023 -3.091 -11.389 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.737 -4.483 -12.414 1.00 0.00 H new ATOM 235 N ASP A 39 -0.302 -6.141 -10.253 1.00 0.00 N ATOM 236 CA ASP A 39 -0.654 -7.159 -9.268 1.00 0.00 C ATOM 237 C ASP A 39 0.001 -6.898 -7.905 1.00 0.00 C ATOM 238 O ASP A 39 -0.226 -7.665 -6.969 1.00 0.00 O ATOM 239 CB ASP A 39 -0.255 -8.543 -9.797 1.00 0.00 C ATOM 240 CG ASP A 39 -1.018 -8.954 -11.048 1.00 0.00 C ATOM 241 OD1 ASP A 39 -2.242 -8.704 -11.085 1.00 0.00 O ATOM 242 OD2 ASP A 39 -0.354 -9.510 -11.948 1.00 0.00 O ATOM 0 H ASP A 39 0.452 -6.421 -10.881 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.733 -7.119 -9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.813 -8.547 -10.014 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.424 -9.285 -9.017 1.00 0.00 H new ATOM 247 N LEU A 40 0.814 -5.840 -7.788 1.00 0.00 N ATOM 248 CA LEU A 40 1.528 -5.433 -6.577 1.00 0.00 C ATOM 249 C LEU A 40 2.653 -6.420 -6.253 1.00 0.00 C ATOM 250 O LEU A 40 3.140 -6.495 -5.121 1.00 0.00 O ATOM 251 CB LEU A 40 0.540 -5.169 -5.431 1.00 0.00 C ATOM 252 CG LEU A 40 -0.513 -4.135 -5.880 1.00 0.00 C ATOM 253 CD1 LEU A 40 -1.884 -4.450 -5.283 1.00 0.00 C ATOM 254 CD2 LEU A 40 -0.053 -2.721 -5.530 1.00 0.00 C ATOM 0 H LEU A 40 0.999 -5.217 -8.574 1.00 0.00 H new ATOM 0 HA LEU A 40 2.031 -4.480 -6.742 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.050 -6.098 -5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.074 -4.801 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.616 -4.194 -6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.606 -3.705 -5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.205 -5.439 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.820 -4.432 -4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.807 -2.003 -5.853 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.087 -2.640 -4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.890 -2.510 -6.035 1.00 0.00 H new ATOM 266 N THR A 41 3.087 -7.134 -7.295 1.00 0.00 N ATOM 267 CA THR A 41 4.131 -8.136 -7.332 1.00 0.00 C ATOM 268 C THR A 41 5.524 -7.500 -7.376 1.00 0.00 C ATOM 269 O THR A 41 6.515 -8.212 -7.235 1.00 0.00 O ATOM 270 CB THR A 41 3.868 -8.976 -8.590 1.00 0.00 C ATOM 271 OG1 THR A 41 3.446 -8.109 -9.634 1.00 0.00 O ATOM 272 CG2 THR A 41 2.749 -9.990 -8.330 1.00 0.00 C ATOM 0 H THR A 41 2.670 -7.005 -8.217 1.00 0.00 H new ATOM 0 HA THR A 41 4.113 -8.750 -6.431 1.00 0.00 H new ATOM 0 HB THR A 41 4.782 -9.505 -8.862 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.276 -8.632 -10.445 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.574 -10.578 -9.231 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.041 -10.653 -7.515 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.835 -9.462 -8.059 1.00 0.00 H new ATOM 280 N GLY A 42 5.609 -6.175 -7.535 1.00 0.00 N ATOM 281 CA GLY A 42 6.837 -5.419 -7.379 1.00 0.00 C ATOM 282 C GLY A 42 7.535 -5.198 -8.718 1.00 0.00 C ATOM 283 O GLY A 42 8.209 -6.100 -9.210 1.00 0.00 O ATOM 0 H GLY A 42 4.806 -5.596 -7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.616 -4.455 -6.920 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.507 -5.948 -6.702 1.00 0.00 H new ATOM 287 N ALA A 43 7.379 -4.007 -9.313 1.00 0.00 N ATOM 288 CA ALA A 43 8.050 -3.642 -10.557 1.00 0.00 C ATOM 289 C ALA A 43 9.251 -2.735 -10.260 1.00 0.00 C ATOM 290 O ALA A 43 10.388 -3.199 -10.231 1.00 0.00 O ATOM 291 CB ALA A 43 7.037 -3.018 -11.527 1.00 0.00 C ATOM 0 H ALA A 43 6.780 -3.271 -8.939 1.00 0.00 H new ATOM 0 HA ALA A 43 8.449 -4.529 -11.048 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.541 -2.747 -12.455 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.247 -3.738 -11.741 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.603 -2.126 -11.076 1.00 0.00 H new ATOM 297 N SER A 44 9.003 -1.445 -10.019 1.00 0.00 N ATOM 298 CA SER A 44 10.001 -0.457 -9.613 1.00 0.00 C ATOM 299 C SER A 44 10.093 -0.334 -8.087 1.00 0.00 C ATOM 300 O SER A 44 10.832 0.507 -7.581 1.00 0.00 O ATOM 301 CB SER A 44 9.656 0.899 -10.234 1.00 0.00 C ATOM 302 OG SER A 44 9.593 0.793 -11.643 1.00 0.00 O ATOM 0 H SER A 44 8.068 -1.048 -10.105 1.00 0.00 H new ATOM 0 HA SER A 44 10.975 -0.790 -9.971 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.700 1.251 -9.846 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.406 1.637 -9.951 1.00 0.00 H new ATOM 0 HG SER A 44 9.370 1.667 -12.027 1.00 0.00 H new ATOM 308 N ALA A 45 9.311 -1.129 -7.357 1.00 0.00 N ATOM 309 CA ALA A 45 9.235 -1.174 -5.908 1.00 0.00 C ATOM 310 C ALA A 45 9.077 -2.653 -5.545 1.00 0.00 C ATOM 311 O ALA A 45 8.719 -3.432 -6.429 1.00 0.00 O ATOM 312 CB ALA A 45 8.028 -0.335 -5.490 1.00 0.00 C ATOM 0 H ALA A 45 8.677 -1.798 -7.795 1.00 0.00 H new ATOM 0 HA ALA A 45 10.111 -0.772 -5.400 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.937 -0.344 -4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.161 0.691 -5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.124 -0.752 -5.933 1.00 0.00 H new ATOM 318 N PRO A 46 9.360 -3.079 -4.304 1.00 0.00 N ATOM 319 CA PRO A 46 9.255 -4.479 -3.925 1.00 0.00 C ATOM 320 C PRO A 46 7.808 -4.969 -3.993 1.00 0.00 C ATOM 321 O PRO A 46 6.865 -4.176 -4.052 1.00 0.00 O ATOM 322 CB PRO A 46 9.818 -4.568 -2.502 1.00 0.00 C ATOM 323 CG PRO A 46 9.601 -3.160 -1.952 1.00 0.00 C ATOM 324 CD PRO A 46 9.828 -2.283 -3.184 1.00 0.00 C ATOM 0 HA PRO A 46 9.811 -5.120 -4.609 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.295 -5.317 -1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.873 -4.842 -2.503 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.598 -3.034 -1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.303 -2.925 -1.152 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.277 -1.346 -3.108 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.881 -2.025 -3.296 1.00 0.00 H new ATOM 332 N ALA A 47 7.642 -6.294 -3.976 1.00 0.00 N ATOM 333 CA ALA A 47 6.335 -6.923 -3.933 1.00 0.00 C ATOM 334 C ALA A 47 5.654 -6.543 -2.625 1.00 0.00 C ATOM 335 O ALA A 47 6.199 -6.825 -1.559 1.00 0.00 O ATOM 336 CB ALA A 47 6.487 -8.445 -4.023 1.00 0.00 C ATOM 0 H ALA A 47 8.418 -6.956 -3.992 1.00 0.00 H new ATOM 0 HA ALA A 47 5.731 -6.584 -4.775 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.502 -8.912 -3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.982 -8.707 -4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.085 -8.801 -3.184 1.00 0.00 H new ATOM 342 N ILE A 48 4.477 -5.917 -2.696 1.00 0.00 N ATOM 343 CA ILE A 48 3.681 -5.629 -1.508 1.00 0.00 C ATOM 344 C ILE A 48 2.337 -6.350 -1.545 1.00 0.00 C ATOM 345 O ILE A 48 1.599 -6.283 -0.573 1.00 0.00 O ATOM 346 CB ILE A 48 3.650 -4.127 -1.146 1.00 0.00 C ATOM 347 CG1 ILE A 48 2.975 -3.188 -2.151 1.00 0.00 C ATOM 348 CG2 ILE A 48 5.089 -3.642 -0.938 1.00 0.00 C ATOM 349 CD1 ILE A 48 1.451 -3.178 -2.017 1.00 0.00 C ATOM 0 H ILE A 48 4.056 -5.600 -3.569 1.00 0.00 H new ATOM 0 HA ILE A 48 4.188 -6.060 -0.645 1.00 0.00 H new ATOM 0 HB ILE A 48 3.033 -4.076 -0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.355 -2.176 -2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.245 -3.491 -3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.082 -2.583 -0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.550 -4.208 -0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.659 -3.790 -1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.025 -2.496 -2.753 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.064 -4.183 -2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.176 -2.848 -1.015 1.00 0.00 H new ATOM 361 N ASP A 49 2.037 -7.141 -2.581 1.00 0.00 N ATOM 362 CA ASP A 49 0.864 -8.015 -2.565 1.00 0.00 C ATOM 363 C ASP A 49 0.841 -8.964 -1.344 1.00 0.00 C ATOM 364 O ASP A 49 -0.220 -9.455 -0.950 1.00 0.00 O ATOM 365 CB ASP A 49 0.735 -8.763 -3.907 1.00 0.00 C ATOM 366 CG ASP A 49 1.069 -10.237 -3.785 1.00 0.00 C ATOM 367 OD1 ASP A 49 2.276 -10.545 -3.780 1.00 0.00 O ATOM 368 OD2 ASP A 49 0.108 -11.022 -3.603 1.00 0.00 O ATOM 0 H ASP A 49 2.589 -7.192 -3.437 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.019 -7.386 -2.450 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.282 -8.654 -4.283 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.397 -8.303 -4.641 1.00 0.00 H new ATOM 373 N LYS A 50 2.002 -9.241 -0.741 1.00 0.00 N ATOM 374 CA LYS A 50 2.144 -10.024 0.487 1.00 0.00 C ATOM 375 C LYS A 50 2.398 -9.149 1.722 1.00 0.00 C ATOM 376 O LYS A 50 2.541 -9.681 2.821 1.00 0.00 O ATOM 377 CB LYS A 50 3.252 -11.080 0.314 1.00 0.00 C ATOM 378 CG LYS A 50 2.678 -12.495 0.181 1.00 0.00 C ATOM 379 CD LYS A 50 1.954 -12.705 -1.158 1.00 0.00 C ATOM 380 CE LYS A 50 0.503 -13.182 -1.003 1.00 0.00 C ATOM 381 NZ LYS A 50 -0.479 -12.132 -1.337 1.00 0.00 N ATOM 0 H LYS A 50 2.896 -8.915 -1.108 1.00 0.00 H new ATOM 0 HA LYS A 50 1.195 -10.530 0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.844 -10.844 -0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.927 -11.041 1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.484 -13.222 0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.984 -12.682 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.962 -11.769 -1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.506 -13.435 -1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.338 -14.046 -1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.341 -13.513 0.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.416 -12.407 -0.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.191 -11.235 -0.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.522 -12.013 -2.369 1.00 0.00 H new ATOM 395 N ALA A 51 2.440 -7.820 1.589 1.00 0.00 N ATOM 396 CA ALA A 51 2.767 -6.958 2.715 1.00 0.00 C ATOM 397 C ALA A 51 1.795 -7.142 3.876 1.00 0.00 C ATOM 398 O ALA A 51 2.226 -7.017 5.012 1.00 0.00 O ATOM 399 CB ALA A 51 2.906 -5.492 2.306 1.00 0.00 C ATOM 0 H ALA A 51 2.252 -7.326 0.717 1.00 0.00 H new ATOM 0 HA ALA A 51 3.748 -7.271 3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.150 -4.891 3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.701 -5.394 1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.966 -5.143 1.877 1.00 0.00 H new ATOM 405 N GLY A 52 0.519 -7.485 3.644 1.00 0.00 N ATOM 406 CA GLY A 52 -0.355 -7.834 4.751 1.00 0.00 C ATOM 407 C GLY A 52 0.110 -9.066 5.534 1.00 0.00 C ATOM 408 O GLY A 52 -0.225 -9.203 6.711 1.00 0.00 O ATOM 0 H GLY A 52 0.087 -7.525 2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.422 -6.985 5.432 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.359 -8.015 4.367 1.00 0.00 H new ATOM 412 N ALA A 53 0.792 -10.011 4.876 1.00 0.00 N ATOM 413 CA ALA A 53 1.428 -11.142 5.555 1.00 0.00 C ATOM 414 C ALA A 53 2.736 -10.725 6.224 1.00 0.00 C ATOM 415 O ALA A 53 2.985 -11.103 7.365 1.00 0.00 O ATOM 416 CB ALA A 53 1.665 -12.314 4.597 1.00 0.00 C ATOM 0 H ALA A 53 0.917 -10.012 3.864 1.00 0.00 H new ATOM 0 HA ALA A 53 0.740 -11.476 6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.138 -13.135 5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.711 -12.650 4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.314 -11.993 3.783 1.00 0.00 H new ATOM 422 N ASN A 54 3.588 -9.977 5.517 1.00 0.00 N ATOM 423 CA ASN A 54 4.924 -9.671 6.032 1.00 0.00 C ATOM 424 C ASN A 54 4.848 -8.664 7.174 1.00 0.00 C ATOM 425 O ASN A 54 5.574 -8.792 8.156 1.00 0.00 O ATOM 426 CB ASN A 54 5.816 -9.073 4.938 1.00 0.00 C ATOM 427 CG ASN A 54 6.220 -10.098 3.890 1.00 0.00 C ATOM 428 OD1 ASN A 54 5.616 -10.182 2.827 1.00 0.00 O ATOM 429 ND2 ASN A 54 7.256 -10.883 4.171 1.00 0.00 N ATOM 0 H ASN A 54 3.381 -9.578 4.601 1.00 0.00 H new ATOM 0 HA ASN A 54 5.349 -10.611 6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.289 -8.251 4.453 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.712 -8.652 5.394 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.568 -11.578 3.493 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.739 -10.790 5.065 1.00 0.00 H new ATOM 436 N TYR A 55 4.011 -7.644 6.999 1.00 0.00 N ATOM 437 CA TYR A 55 3.876 -6.492 7.880 1.00 0.00 C ATOM 438 C TYR A 55 2.410 -6.387 8.299 1.00 0.00 C ATOM 439 O TYR A 55 1.573 -7.128 7.786 1.00 0.00 O ATOM 440 CB TYR A 55 4.317 -5.225 7.131 1.00 0.00 C ATOM 441 CG TYR A 55 5.720 -5.225 6.548 1.00 0.00 C ATOM 442 CD1 TYR A 55 6.782 -5.902 7.182 1.00 0.00 C ATOM 443 CD2 TYR A 55 5.979 -4.460 5.398 1.00 0.00 C ATOM 444 CE1 TYR A 55 8.062 -5.911 6.600 1.00 0.00 C ATOM 445 CE2 TYR A 55 7.269 -4.434 4.844 1.00 0.00 C ATOM 446 CZ TYR A 55 8.308 -5.173 5.432 1.00 0.00 C ATOM 447 OH TYR A 55 9.550 -5.185 4.871 1.00 0.00 O ATOM 0 H TYR A 55 3.379 -7.599 6.200 1.00 0.00 H new ATOM 0 HA TYR A 55 4.503 -6.603 8.765 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.612 -5.048 6.319 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.234 -4.380 7.815 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.612 -6.415 8.117 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.184 -3.891 4.939 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.856 -6.486 7.052 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.463 -3.843 3.961 1.00 0.00 H new ATOM 0 HH TYR A 55 9.551 -4.624 4.067 1.00 0.00 H new ATOM 457 N SER A 56 2.081 -5.478 9.218 1.00 0.00 N ATOM 458 CA SER A 56 0.698 -5.253 9.627 1.00 0.00 C ATOM 459 C SER A 56 0.113 -3.969 9.036 1.00 0.00 C ATOM 460 O SER A 56 0.797 -3.182 8.376 1.00 0.00 O ATOM 461 CB SER A 56 0.566 -5.294 11.151 1.00 0.00 C ATOM 462 OG SER A 56 -0.800 -5.475 11.488 1.00 0.00 O ATOM 0 H SER A 56 2.759 -4.884 9.694 1.00 0.00 H new ATOM 0 HA SER A 56 0.104 -6.070 9.218 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.166 -6.107 11.560 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.943 -4.369 11.587 1.00 0.00 H new ATOM 0 HG SER A 56 -0.895 -5.504 12.463 1.00 0.00 H new ATOM 468 N GLU A 57 -1.187 -3.777 9.286 1.00 0.00 N ATOM 469 CA GLU A 57 -1.938 -2.649 8.766 1.00 0.00 C ATOM 470 C GLU A 57 -1.295 -1.352 9.259 1.00 0.00 C ATOM 471 O GLU A 57 -1.038 -0.464 8.453 1.00 0.00 O ATOM 472 CB GLU A 57 -3.448 -2.814 9.043 1.00 0.00 C ATOM 473 CG GLU A 57 -3.922 -2.534 10.474 1.00 0.00 C ATOM 474 CD GLU A 57 -4.399 -1.094 10.623 1.00 0.00 C ATOM 475 OE1 GLU A 57 -5.467 -0.802 10.043 1.00 0.00 O ATOM 476 OE2 GLU A 57 -3.684 -0.318 11.289 1.00 0.00 O ATOM 0 H GLU A 57 -1.744 -4.410 9.860 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.887 -2.604 7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.992 -2.152 8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.732 -3.834 8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.731 -3.217 10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.108 -2.725 11.174 1.00 0.00 H new ATOM 483 N GLU A 58 -0.927 -1.291 10.543 1.00 0.00 N ATOM 484 CA GLU A 58 -0.240 -0.155 11.139 1.00 0.00 C ATOM 485 C GLU A 58 1.018 0.225 10.347 1.00 0.00 C ATOM 486 O GLU A 58 1.203 1.383 9.978 1.00 0.00 O ATOM 487 CB GLU A 58 0.056 -0.433 12.625 1.00 0.00 C ATOM 488 CG GLU A 58 0.636 -1.824 12.935 1.00 0.00 C ATOM 489 CD GLU A 58 1.102 -1.918 14.383 1.00 0.00 C ATOM 490 OE1 GLU A 58 2.105 -1.243 14.697 1.00 0.00 O ATOM 491 OE2 GLU A 58 0.449 -2.659 15.148 1.00 0.00 O ATOM 0 H GLU A 58 -1.105 -2.047 11.204 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.897 0.713 11.092 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.755 0.322 12.986 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.867 -0.309 13.191 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.119 -2.586 12.743 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.473 -2.029 12.267 1.00 0.00 H new ATOM 498 N GLU A 59 1.878 -0.754 10.063 1.00 0.00 N ATOM 499 CA GLU A 59 3.130 -0.542 9.355 1.00 0.00 C ATOM 500 C GLU A 59 2.851 0.006 7.959 1.00 0.00 C ATOM 501 O GLU A 59 3.411 1.020 7.547 1.00 0.00 O ATOM 502 CB GLU A 59 3.878 -1.877 9.265 1.00 0.00 C ATOM 503 CG GLU A 59 4.227 -2.421 10.652 1.00 0.00 C ATOM 504 CD GLU A 59 5.060 -3.678 10.516 1.00 0.00 C ATOM 505 OE1 GLU A 59 4.411 -4.734 10.357 1.00 0.00 O ATOM 506 OE2 GLU A 59 6.303 -3.556 10.524 1.00 0.00 O ATOM 0 H GLU A 59 1.718 -1.727 10.324 1.00 0.00 H new ATOM 0 HA GLU A 59 3.743 0.182 9.891 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.264 -2.603 8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.791 -1.745 8.685 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.776 -1.670 11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.315 -2.637 11.208 1.00 0.00 H new ATOM 513 N ILE A 60 1.977 -0.682 7.226 1.00 0.00 N ATOM 514 CA ILE A 60 1.627 -0.331 5.857 1.00 0.00 C ATOM 515 C ILE A 60 1.079 1.097 5.848 1.00 0.00 C ATOM 516 O ILE A 60 1.553 1.948 5.096 1.00 0.00 O ATOM 517 CB ILE A 60 0.630 -1.368 5.313 1.00 0.00 C ATOM 518 CG1 ILE A 60 1.309 -2.737 5.131 1.00 0.00 C ATOM 519 CG2 ILE A 60 0.014 -0.926 3.980 1.00 0.00 C ATOM 520 CD1 ILE A 60 0.304 -3.895 5.110 1.00 0.00 C ATOM 0 H ILE A 60 1.488 -1.507 7.573 1.00 0.00 H new ATOM 0 HA ILE A 60 2.496 -0.352 5.199 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.169 -1.453 6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.876 -2.736 4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.023 -2.895 5.939 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.684 -1.687 3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.516 0.016 4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.804 -0.792 3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.837 -4.837 4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.246 -3.917 6.051 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.394 -3.756 4.285 1.00 0.00 H new ATOM 532 N LEU A 61 0.099 1.361 6.715 1.00 0.00 N ATOM 533 CA LEU A 61 -0.502 2.667 6.916 1.00 0.00 C ATOM 534 C LEU A 61 0.578 3.713 7.103 1.00 0.00 C ATOM 535 O LEU A 61 0.614 4.706 6.374 1.00 0.00 O ATOM 536 CB LEU A 61 -1.396 2.652 8.163 1.00 0.00 C ATOM 537 CG LEU A 61 -2.230 3.933 8.309 1.00 0.00 C ATOM 538 CD1 LEU A 61 -3.360 3.993 7.284 1.00 0.00 C ATOM 539 CD2 LEU A 61 -2.829 4.017 9.714 1.00 0.00 C ATOM 0 H LEU A 61 -0.307 0.642 7.314 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.101 2.908 6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.064 1.792 8.116 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.774 2.525 9.049 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.560 4.775 8.136 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.926 4.914 7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.940 3.971 6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.021 3.137 7.421 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.418 4.930 9.804 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.470 3.153 9.889 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.027 4.028 10.452 1.00 0.00 H new ATOM 551 N ASP A 62 1.444 3.491 8.094 1.00 0.00 N ATOM 552 CA ASP A 62 2.463 4.462 8.430 1.00 0.00 C ATOM 553 C ASP A 62 3.310 4.717 7.192 1.00 0.00 C ATOM 554 O ASP A 62 3.465 5.857 6.768 1.00 0.00 O ATOM 555 CB ASP A 62 3.311 3.995 9.613 1.00 0.00 C ATOM 556 CG ASP A 62 4.304 5.085 9.980 1.00 0.00 C ATOM 557 OD1 ASP A 62 3.860 6.076 10.606 1.00 0.00 O ATOM 558 OD2 ASP A 62 5.470 4.957 9.554 1.00 0.00 O ATOM 0 H ASP A 62 1.453 2.649 8.670 1.00 0.00 H new ATOM 0 HA ASP A 62 1.994 5.394 8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.672 3.767 10.466 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.840 3.077 9.356 1.00 0.00 H new ATOM 563 N ILE A 63 3.768 3.646 6.546 1.00 0.00 N ATOM 564 CA ILE A 63 4.624 3.735 5.373 1.00 0.00 C ATOM 565 C ILE A 63 3.955 4.570 4.279 1.00 0.00 C ATOM 566 O ILE A 63 4.604 5.419 3.675 1.00 0.00 O ATOM 567 CB ILE A 63 4.996 2.311 4.911 1.00 0.00 C ATOM 568 CG1 ILE A 63 6.259 1.838 5.650 1.00 0.00 C ATOM 569 CG2 ILE A 63 5.194 2.207 3.395 1.00 0.00 C ATOM 570 CD1 ILE A 63 6.319 0.312 5.773 1.00 0.00 C ATOM 0 H ILE A 63 3.552 2.689 6.826 1.00 0.00 H new ATOM 0 HA ILE A 63 5.551 4.253 5.619 1.00 0.00 H new ATOM 0 HB ILE A 63 4.156 1.662 5.159 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.143 2.193 5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.284 2.282 6.645 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.454 1.182 3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.272 2.489 2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.997 2.876 3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.228 0.025 6.302 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.450 -0.043 6.327 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.322 -0.133 4.778 1.00 0.00 H new ATOM 582 N ILE A 64 2.664 4.360 4.023 1.00 0.00 N ATOM 583 CA ILE A 64 1.930 5.139 3.035 1.00 0.00 C ATOM 584 C ILE A 64 1.874 6.605 3.465 1.00 0.00 C ATOM 585 O ILE A 64 2.194 7.506 2.688 1.00 0.00 O ATOM 586 CB ILE A 64 0.524 4.553 2.856 1.00 0.00 C ATOM 587 CG1 ILE A 64 0.616 3.121 2.315 1.00 0.00 C ATOM 588 CG2 ILE A 64 -0.317 5.412 1.901 1.00 0.00 C ATOM 589 CD1 ILE A 64 -0.633 2.344 2.720 1.00 0.00 C ATOM 0 H ILE A 64 2.103 3.649 4.493 1.00 0.00 H new ATOM 0 HA ILE A 64 2.442 5.091 2.074 1.00 0.00 H new ATOM 0 HB ILE A 64 0.037 4.544 3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.712 3.136 1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.506 2.629 2.707 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.308 4.972 1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.409 6.420 2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.169 5.454 0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.569 1.326 2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.709 2.318 3.807 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.515 2.833 2.307 1.00 0.00 H new ATOM 601 N LEU A 65 1.446 6.844 4.703 1.00 0.00 N ATOM 602 CA LEU A 65 1.262 8.180 5.241 1.00 0.00 C ATOM 603 C LEU A 65 2.591 8.943 5.375 1.00 0.00 C ATOM 604 O LEU A 65 2.557 10.177 5.393 1.00 0.00 O ATOM 605 CB LEU A 65 0.568 8.091 6.606 1.00 0.00 C ATOM 606 CG LEU A 65 -0.895 7.603 6.620 1.00 0.00 C ATOM 607 CD1 LEU A 65 -1.331 7.454 8.083 1.00 0.00 C ATOM 608 CD2 LEU A 65 -1.828 8.600 5.948 1.00 0.00 C ATOM 0 H LEU A 65 1.216 6.103 5.365 1.00 0.00 H new ATOM 0 HA LEU A 65 0.640 8.737 4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.153 7.425 7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.600 9.078 7.067 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.950 6.659 6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.364 7.109 8.121 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.688 6.729 8.582 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.251 8.417 8.586 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.849 8.220 5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.780 9.554 6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.524 8.741 4.911 1.00 0.00 H new ATOM 620 N ASN A 66 3.718 8.230 5.508 1.00 0.00 N ATOM 621 CA ASN A 66 5.055 8.762 5.786 1.00 0.00 C ATOM 622 C ASN A 66 5.919 8.776 4.528 1.00 0.00 C ATOM 623 O ASN A 66 6.368 9.839 4.110 1.00 0.00 O ATOM 624 CB ASN A 66 5.773 7.910 6.848 1.00 0.00 C ATOM 625 CG ASN A 66 5.320 8.215 8.272 1.00 0.00 C ATOM 626 OD1 ASN A 66 6.051 8.826 9.047 1.00 0.00 O ATOM 627 ND2 ASN A 66 4.116 7.782 8.616 1.00 0.00 N ATOM 0 H ASN A 66 3.719 7.214 5.420 1.00 0.00 H new ATOM 0 HA ASN A 66 4.920 9.781 6.150 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.598 6.855 6.637 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.847 8.077 6.772 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.763 7.952 9.558 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.543 7.278 7.939 1.00 0.00 H new ATOM 634 N GLY A 67 6.182 7.593 3.962 1.00 0.00 N ATOM 635 CA GLY A 67 7.157 7.354 2.907 1.00 0.00 C ATOM 636 C GLY A 67 8.225 6.362 3.374 1.00 0.00 C ATOM 637 O GLY A 67 9.104 6.727 4.152 1.00 0.00 O ATOM 0 H GLY A 67 5.696 6.742 4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.654 6.965 2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.627 8.294 2.619 1.00 0.00 H new ATOM 641 N GLN A 68 8.174 5.112 2.891 1.00 0.00 N ATOM 642 CA GLN A 68 9.332 4.217 2.940 1.00 0.00 C ATOM 643 C GLN A 68 10.505 4.907 2.208 1.00 0.00 C ATOM 644 O GLN A 68 10.271 5.726 1.331 1.00 0.00 O ATOM 645 CB GLN A 68 8.965 2.859 2.292 1.00 0.00 C ATOM 646 CG GLN A 68 10.135 1.892 2.125 1.00 0.00 C ATOM 647 CD GLN A 68 10.876 1.494 3.393 1.00 0.00 C ATOM 648 OE1 GLN A 68 11.399 2.337 4.114 1.00 0.00 O ATOM 649 NE2 GLN A 68 10.977 0.196 3.648 1.00 0.00 N ATOM 0 H GLN A 68 7.344 4.702 2.464 1.00 0.00 H new ATOM 0 HA GLN A 68 9.631 4.016 3.969 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.198 2.378 2.899 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.525 3.047 1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.762 0.985 1.649 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.852 2.341 1.438 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.531 -0.481 3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.501 -0.124 4.462 1.00 0.00 H new ATOM 658 N GLY A 69 11.761 4.585 2.537 1.00 0.00 N ATOM 659 CA GLY A 69 12.962 5.237 2.007 1.00 0.00 C ATOM 660 C GLY A 69 12.874 5.674 0.537 1.00 0.00 C ATOM 661 O GLY A 69 12.956 6.861 0.237 1.00 0.00 O ATOM 0 H GLY A 69 11.975 3.840 3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.180 6.113 2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.805 4.555 2.117 1.00 0.00 H new ATOM 665 N GLY A 70 12.709 4.722 -0.389 1.00 0.00 N ATOM 666 CA GLY A 70 12.648 5.002 -1.824 1.00 0.00 C ATOM 667 C GLY A 70 11.232 5.303 -2.328 1.00 0.00 C ATOM 668 O GLY A 70 10.953 5.142 -3.515 1.00 0.00 O ATOM 0 H GLY A 70 12.614 3.732 -0.161 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.293 5.851 -2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.046 4.147 -2.370 1.00 0.00 H new ATOM 672 N MET A 71 10.329 5.724 -1.440 1.00 0.00 N ATOM 673 CA MET A 71 8.921 5.968 -1.718 1.00 0.00 C ATOM 674 C MET A 71 8.574 7.389 -1.252 1.00 0.00 C ATOM 675 O MET A 71 8.944 7.761 -0.143 1.00 0.00 O ATOM 676 CB MET A 71 8.149 4.906 -0.936 1.00 0.00 C ATOM 677 CG MET A 71 6.640 4.901 -1.121 1.00 0.00 C ATOM 678 SD MET A 71 5.926 3.439 -0.329 1.00 0.00 S ATOM 679 CE MET A 71 4.349 4.137 0.222 1.00 0.00 C ATOM 0 H MET A 71 10.574 5.911 -0.468 1.00 0.00 H new ATOM 0 HA MET A 71 8.673 5.902 -2.777 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.532 3.926 -1.219 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.364 5.038 0.124 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.209 5.805 -0.691 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.395 4.906 -2.183 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.771 3.369 0.736 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.537 4.967 0.903 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.788 4.496 -0.641 1.00 0.00 H new ATOM 689 N PRO A 72 7.878 8.210 -2.055 1.00 0.00 N ATOM 690 CA PRO A 72 7.683 9.619 -1.741 1.00 0.00 C ATOM 691 C PRO A 72 6.838 9.824 -0.483 1.00 0.00 C ATOM 692 O PRO A 72 7.081 10.755 0.279 1.00 0.00 O ATOM 693 CB PRO A 72 7.049 10.244 -2.987 1.00 0.00 C ATOM 694 CG PRO A 72 6.374 9.060 -3.677 1.00 0.00 C ATOM 695 CD PRO A 72 7.313 7.897 -3.354 1.00 0.00 C ATOM 0 HA PRO A 72 8.631 10.103 -1.506 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.329 11.019 -2.725 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.798 10.708 -3.628 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.369 8.887 -3.292 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.281 9.218 -4.751 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.773 6.950 -3.330 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.093 7.800 -4.109 1.00 0.00 H new ATOM 703 N GLY A 73 5.846 8.958 -0.272 1.00 0.00 N ATOM 704 CA GLY A 73 4.984 9.023 0.893 1.00 0.00 C ATOM 705 C GLY A 73 3.885 10.063 0.721 1.00 0.00 C ATOM 706 O GLY A 73 3.930 10.914 -0.165 1.00 0.00 O ATOM 0 H GLY A 73 5.623 8.193 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.536 8.045 1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.579 9.264 1.774 1.00 0.00 H new ATOM 710 N GLY A 74 2.841 9.941 1.541 1.00 0.00 N ATOM 711 CA GLY A 74 1.643 10.757 1.434 1.00 0.00 C ATOM 712 C GLY A 74 0.969 10.606 0.075 1.00 0.00 C ATOM 713 O GLY A 74 0.239 11.490 -0.366 1.00 0.00 O ATOM 0 H GLY A 74 2.808 9.265 2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.942 10.476 2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.901 11.803 1.596 1.00 0.00 H new ATOM 717 N ILE A 75 1.177 9.451 -0.557 1.00 0.00 N ATOM 718 CA ILE A 75 0.539 9.077 -1.806 1.00 0.00 C ATOM 719 C ILE A 75 -0.962 8.908 -1.582 1.00 0.00 C ATOM 720 O ILE A 75 -1.745 9.142 -2.504 1.00 0.00 O ATOM 721 CB ILE A 75 1.203 7.789 -2.308 1.00 0.00 C ATOM 722 CG1 ILE A 75 2.616 8.101 -2.824 1.00 0.00 C ATOM 723 CG2 ILE A 75 0.393 7.122 -3.428 1.00 0.00 C ATOM 724 CD1 ILE A 75 3.531 6.896 -2.613 1.00 0.00 C ATOM 0 H ILE A 75 1.811 8.736 -0.200 1.00 0.00 H new ATOM 0 HA ILE A 75 0.662 9.850 -2.564 1.00 0.00 H new ATOM 0 HB ILE A 75 1.250 7.096 -1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.577 8.356 -3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.019 8.969 -2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.901 6.214 -3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.601 6.870 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.303 7.808 -4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.530 7.128 -2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.583 6.660 -1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.134 6.038 -3.156 1.00 0.00 H new ATOM 736 N ALA A 76 -1.346 8.497 -0.367 1.00 0.00 N ATOM 737 CA ALA A 76 -2.727 8.407 0.053 1.00 0.00 C ATOM 738 C ALA A 76 -2.779 8.881 1.500 1.00 0.00 C ATOM 739 O ALA A 76 -1.800 8.666 2.219 1.00 0.00 O ATOM 740 CB ALA A 76 -3.204 6.959 -0.083 1.00 0.00 C ATOM 0 H ALA A 76 -0.684 8.215 0.356 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.383 9.024 -0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.245 6.888 0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.118 6.644 -1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.589 6.313 0.544 1.00 0.00 H new ATOM 746 N LYS A 77 -3.855 9.550 1.931 1.00 0.00 N ATOM 747 CA LYS A 77 -3.975 10.032 3.299 1.00 0.00 C ATOM 748 C LYS A 77 -5.418 9.982 3.817 1.00 0.00 C ATOM 749 O LYS A 77 -6.377 9.978 3.049 1.00 0.00 O ATOM 750 CB LYS A 77 -3.351 11.431 3.427 1.00 0.00 C ATOM 751 CG LYS A 77 -1.811 11.394 3.494 1.00 0.00 C ATOM 752 CD LYS A 77 -1.188 12.688 4.050 1.00 0.00 C ATOM 753 CE LYS A 77 0.285 12.499 4.472 1.00 0.00 C ATOM 754 NZ LYS A 77 0.453 11.798 5.764 1.00 0.00 N ATOM 0 H LYS A 77 -4.658 9.768 1.341 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.414 9.354 3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.659 12.040 2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.738 11.916 4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.503 10.555 4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.416 11.211 2.495 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.249 13.471 3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.768 13.028 4.908 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.806 11.939 3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.763 13.477 4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.654 12.492 6.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.420 11.283 5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.243 11.126 5.694 1.00 0.00 H new ATOM 768 N GLY A 78 -5.564 9.920 5.145 1.00 0.00 N ATOM 769 CA GLY A 78 -6.854 9.780 5.804 1.00 0.00 C ATOM 770 C GLY A 78 -7.528 8.472 5.390 1.00 0.00 C ATOM 771 O GLY A 78 -6.840 7.480 5.138 1.00 0.00 O ATOM 0 H GLY A 78 -4.778 9.967 5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.720 9.801 6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.494 10.623 5.546 1.00 0.00 H new ATOM 775 N ALA A 79 -8.860 8.509 5.251 1.00 0.00 N ATOM 776 CA ALA A 79 -9.715 7.390 4.863 1.00 0.00 C ATOM 777 C ALA A 79 -9.105 6.551 3.738 1.00 0.00 C ATOM 778 O ALA A 79 -9.235 5.330 3.724 1.00 0.00 O ATOM 779 CB ALA A 79 -11.091 7.919 4.450 1.00 0.00 C ATOM 0 H ALA A 79 -9.392 9.364 5.415 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.814 6.732 5.726 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.730 7.085 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.544 8.449 5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.981 8.601 3.607 1.00 0.00 H new ATOM 785 N GLU A 80 -8.441 7.220 2.796 1.00 0.00 N ATOM 786 CA GLU A 80 -7.695 6.611 1.713 1.00 0.00 C ATOM 787 C GLU A 80 -6.674 5.605 2.271 1.00 0.00 C ATOM 788 O GLU A 80 -6.782 4.404 2.025 1.00 0.00 O ATOM 789 CB GLU A 80 -7.042 7.764 0.942 1.00 0.00 C ATOM 790 CG GLU A 80 -6.672 7.481 -0.516 1.00 0.00 C ATOM 791 CD GLU A 80 -5.914 8.668 -1.111 1.00 0.00 C ATOM 792 OE1 GLU A 80 -5.575 9.580 -0.319 1.00 0.00 O ATOM 793 OE2 GLU A 80 -5.659 8.627 -2.336 1.00 0.00 O ATOM 0 H GLU A 80 -8.411 8.239 2.772 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.332 6.037 1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.720 8.617 0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.138 8.062 1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.058 6.582 -0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.574 7.289 -1.097 1.00 0.00 H new ATOM 800 N ALA A 81 -5.686 6.077 3.044 1.00 0.00 N ATOM 801 CA ALA A 81 -4.638 5.235 3.589 1.00 0.00 C ATOM 802 C ALA A 81 -5.223 4.240 4.586 1.00 0.00 C ATOM 803 O ALA A 81 -4.812 3.083 4.598 1.00 0.00 O ATOM 804 CB ALA A 81 -3.574 6.111 4.246 1.00 0.00 C ATOM 0 H ALA A 81 -5.600 7.060 3.304 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.173 4.665 2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.786 5.480 4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.149 6.786 3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.027 6.693 5.048 1.00 0.00 H new ATOM 810 N GLU A 82 -6.178 4.679 5.410 1.00 0.00 N ATOM 811 CA GLU A 82 -6.873 3.813 6.358 1.00 0.00 C ATOM 812 C GLU A 82 -7.425 2.589 5.618 1.00 0.00 C ATOM 813 O GLU A 82 -7.168 1.444 5.990 1.00 0.00 O ATOM 814 CB GLU A 82 -7.984 4.611 7.051 1.00 0.00 C ATOM 815 CG GLU A 82 -7.430 5.769 7.900 1.00 0.00 C ATOM 816 CD GLU A 82 -8.495 6.818 8.202 1.00 0.00 C ATOM 817 OE1 GLU A 82 -9.667 6.415 8.358 1.00 0.00 O ATOM 818 OE2 GLU A 82 -8.123 8.013 8.235 1.00 0.00 O ATOM 0 H GLU A 82 -6.490 5.650 5.436 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.186 3.457 7.126 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.666 5.009 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.565 3.943 7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.034 5.375 8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.598 6.238 7.374 1.00 0.00 H new ATOM 825 N ALA A 83 -8.160 2.843 4.531 1.00 0.00 N ATOM 826 CA ALA A 83 -8.696 1.793 3.691 1.00 0.00 C ATOM 827 C ALA A 83 -7.570 0.935 3.110 1.00 0.00 C ATOM 828 O ALA A 83 -7.652 -0.291 3.199 1.00 0.00 O ATOM 829 CB ALA A 83 -9.595 2.393 2.608 1.00 0.00 C ATOM 0 H ALA A 83 -8.394 3.785 4.218 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.314 1.129 4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.993 1.594 1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.419 2.932 3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.015 3.081 1.993 1.00 0.00 H new ATOM 835 N VAL A 84 -6.520 1.556 2.539 1.00 0.00 N ATOM 836 CA VAL A 84 -5.371 0.795 2.045 1.00 0.00 C ATOM 837 C VAL A 84 -4.891 -0.183 3.110 1.00 0.00 C ATOM 838 O VAL A 84 -4.797 -1.369 2.834 1.00 0.00 O ATOM 839 CB VAL A 84 -4.171 1.651 1.595 1.00 0.00 C ATOM 840 CG1 VAL A 84 -3.022 0.703 1.212 1.00 0.00 C ATOM 841 CG2 VAL A 84 -4.452 2.534 0.380 1.00 0.00 C ATOM 0 H VAL A 84 -6.449 2.566 2.413 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.739 0.279 1.158 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.932 2.310 2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.160 1.287 0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.747 0.097 2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.343 0.052 0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.557 3.103 0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.734 1.908 -0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.266 3.221 0.610 1.00 0.00 H new ATOM 851 N ALA A 85 -4.532 0.312 4.292 1.00 0.00 N ATOM 852 CA ALA A 85 -3.915 -0.478 5.344 1.00 0.00 C ATOM 853 C ALA A 85 -4.721 -1.745 5.613 1.00 0.00 C ATOM 854 O ALA A 85 -4.195 -2.853 5.502 1.00 0.00 O ATOM 855 CB ALA A 85 -3.800 0.391 6.592 1.00 0.00 C ATOM 0 H ALA A 85 -4.666 1.291 4.546 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.920 -0.799 5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.339 -0.184 7.395 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.186 1.264 6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.793 0.715 6.903 1.00 0.00 H new ATOM 861 N ALA A 86 -6.008 -1.575 5.928 1.00 0.00 N ATOM 862 CA ALA A 86 -6.897 -2.695 6.191 1.00 0.00 C ATOM 863 C ALA A 86 -6.938 -3.645 4.992 1.00 0.00 C ATOM 864 O ALA A 86 -6.702 -4.842 5.138 1.00 0.00 O ATOM 865 CB ALA A 86 -8.296 -2.175 6.533 1.00 0.00 C ATOM 0 H ALA A 86 -6.455 -0.661 6.006 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.518 -3.258 7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.959 -3.017 6.729 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.242 -1.541 7.418 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.684 -1.596 5.695 1.00 0.00 H new ATOM 871 N TRP A 87 -7.227 -3.111 3.804 1.00 0.00 N ATOM 872 CA TRP A 87 -7.327 -3.903 2.586 1.00 0.00 C ATOM 873 C TRP A 87 -6.054 -4.719 2.360 1.00 0.00 C ATOM 874 O TRP A 87 -6.105 -5.932 2.224 1.00 0.00 O ATOM 875 CB TRP A 87 -7.609 -2.959 1.421 1.00 0.00 C ATOM 876 CG TRP A 87 -7.462 -3.537 0.049 1.00 0.00 C ATOM 877 CD1 TRP A 87 -8.365 -4.292 -0.615 1.00 0.00 C ATOM 878 CD2 TRP A 87 -6.367 -3.339 -0.886 1.00 0.00 C ATOM 879 NE1 TRP A 87 -7.784 -4.793 -1.763 1.00 0.00 N ATOM 880 CE2 TRP A 87 -6.576 -4.186 -2.009 1.00 0.00 C ATOM 881 CE3 TRP A 87 -5.199 -2.551 -0.912 1.00 0.00 C ATOM 882 CZ2 TRP A 87 -5.630 -4.284 -3.033 1.00 0.00 C ATOM 883 CZ3 TRP A 87 -4.449 -2.462 -2.097 1.00 0.00 C ATOM 884 CH2 TRP A 87 -4.811 -3.189 -3.232 1.00 0.00 C ATOM 0 H TRP A 87 -7.398 -2.115 3.664 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.144 -4.620 2.672 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.626 -2.581 1.526 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -6.940 -2.103 1.505 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.381 -4.475 -0.298 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -8.197 -5.518 -2.350 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.882 -2.019 -0.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.543 -5.173 -3.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.580 -1.822 -2.130 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -4.468 -2.910 -4.217 1.00 0.00 H new ATOM 895 N LEU A 88 -4.894 -4.074 2.345 1.00 0.00 N ATOM 896 CA LEU A 88 -3.613 -4.729 2.156 1.00 0.00 C ATOM 897 C LEU A 88 -3.399 -5.797 3.230 1.00 0.00 C ATOM 898 O LEU A 88 -3.045 -6.933 2.920 1.00 0.00 O ATOM 899 CB LEU A 88 -2.501 -3.675 2.128 1.00 0.00 C ATOM 900 CG LEU A 88 -1.554 -3.819 0.937 1.00 0.00 C ATOM 901 CD1 LEU A 88 -0.662 -5.043 1.042 1.00 0.00 C ATOM 902 CD2 LEU A 88 -2.176 -3.683 -0.439 1.00 0.00 C ATOM 0 H LEU A 88 -4.820 -3.064 2.466 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.593 -5.248 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.952 -2.683 2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.924 -3.742 3.051 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.924 -2.933 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.011 -5.095 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.055 -4.974 1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.279 -5.940 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.405 -3.804 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.940 -4.450 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.631 -2.697 -0.537 1.00 0.00 H new ATOM 914 N ALA A 89 -3.682 -5.458 4.488 1.00 0.00 N ATOM 915 CA ALA A 89 -3.637 -6.396 5.602 1.00 0.00 C ATOM 916 C ALA A 89 -4.617 -7.560 5.442 1.00 0.00 C ATOM 917 O ALA A 89 -4.395 -8.620 6.027 1.00 0.00 O ATOM 918 CB ALA A 89 -3.849 -5.657 6.917 1.00 0.00 C ATOM 0 H ALA A 89 -3.952 -4.513 4.762 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.645 -6.847 5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.814 -6.367 7.743 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.065 -4.911 7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.821 -5.163 6.904 1.00 0.00 H new ATOM 924 N GLU A 90 -5.683 -7.381 4.665 1.00 0.00 N ATOM 925 CA GLU A 90 -6.645 -8.408 4.294 1.00 0.00 C ATOM 926 C GLU A 90 -6.200 -9.138 3.014 1.00 0.00 C ATOM 927 O GLU A 90 -6.586 -10.282 2.793 1.00 0.00 O ATOM 928 CB GLU A 90 -8.011 -7.716 4.158 1.00 0.00 C ATOM 929 CG GLU A 90 -9.179 -8.621 3.733 1.00 0.00 C ATOM 930 CD GLU A 90 -9.722 -8.236 2.358 1.00 0.00 C ATOM 931 OE1 GLU A 90 -10.146 -7.068 2.228 1.00 0.00 O ATOM 932 OE2 GLU A 90 -9.705 -9.110 1.466 1.00 0.00 O ATOM 0 H GLU A 90 -5.907 -6.472 4.260 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.715 -9.187 5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.261 -7.256 5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.918 -6.909 3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.847 -9.659 3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.978 -8.554 4.471 1.00 0.00 H new ATOM 939 N LYS A 91 -5.351 -8.517 2.188 1.00 0.00 N ATOM 940 CA LYS A 91 -5.110 -8.944 0.818 1.00 0.00 C ATOM 941 C LYS A 91 -4.369 -10.289 0.808 1.00 0.00 C ATOM 942 O LYS A 91 -4.492 -11.071 -0.130 1.00 0.00 O ATOM 943 CB LYS A 91 -4.336 -7.805 0.121 1.00 0.00 C ATOM 944 CG LYS A 91 -4.260 -7.835 -1.411 1.00 0.00 C ATOM 945 CD LYS A 91 -3.575 -9.122 -1.872 1.00 0.00 C ATOM 946 CE LYS A 91 -2.593 -8.977 -3.012 1.00 0.00 C ATOM 947 NZ LYS A 91 -3.230 -9.023 -4.345 1.00 0.00 N ATOM 0 H LYS A 91 -4.810 -7.697 2.461 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.036 -9.120 0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.790 -6.859 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.317 -7.804 0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.262 -7.774 -1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.707 -6.968 -1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.051 -9.557 -1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.345 -9.834 -2.170 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.060 -8.032 -2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.850 -9.772 -2.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.503 -8.918 -5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.716 -9.934 -4.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.920 -8.249 -4.427 1.00 0.00 H new ATOM 961 N LYS A 92 -3.587 -10.545 1.850 1.00 0.00 N ATOM 962 CA LYS A 92 -2.346 -11.295 1.792 1.00 0.00 C ATOM 963 C LYS A 92 -2.587 -12.768 1.426 1.00 0.00 C ATOM 964 O LYS A 92 -3.184 -13.506 2.238 1.00 0.00 O ATOM 965 CB LYS A 92 -1.713 -11.143 3.162 1.00 0.00 C ATOM 966 CG LYS A 92 -2.589 -11.734 4.294 1.00 0.00 C ATOM 967 CD LYS A 92 -2.384 -11.046 5.640 1.00 0.00 C ATOM 968 CE LYS A 92 -3.459 -11.424 6.667 1.00 0.00 C ATOM 969 NZ LYS A 92 -3.512 -10.425 7.752 1.00 0.00 N ATOM 970 OXT LYS A 92 -2.156 -13.127 0.308 1.00 0.00 O ATOM 0 H LYS A 92 -3.811 -10.222 2.791 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.687 -10.917 1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.741 -11.636 3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.535 -10.086 3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.638 -11.655 4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.366 -12.796 4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.402 -11.311 6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.389 -9.966 5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.431 -11.490 6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.244 -12.409 7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.145 -10.763 8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.558 -10.283 8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.870 -9.524 7.377 1.00 0.00 H new