USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 631 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 ASN : amide:sc= -3.17! C(o=-5.5!,f=-17!) USER MOD Set 1.2: A 48 SER OG : rot 180:sc= -2.34! USER MOD Single : A 15 ASN : amide:sc= -0.035 K(o=-0.035,f=-2!) USER MOD Single : A 17 GLN : amide:sc= -3.62! C(o=-3.6!,f=-4.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 76:sc= 0.735 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.156 USER MOD Single : A 26 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.687) USER MOD Single : A 27 HIS : no HD1:sc= -2.62 X(o=-2.6,f=-2.2) USER MOD Single : A 28 ASN : amide:sc= -5.09! C(o=-5.1!,f=-5.3!) USER MOD Single : A 33 ASN : amide:sc= -0.481 K(o=-0.48,f=-3.4!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.344 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -22:sc= 0.605 USER MOD Single : A 39 ASN : amide:sc= -0.249 K(o=-0.25,f=-2.8!) USER MOD Single : A 52 TYR OH : rot 165:sc= -2.22! USER MOD Single : A 54 ASN : amide:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.915 X(o=-0.92,f=-0.58!) USER MOD Single : A 57 LYS NZ :NH3+ 162:sc= -0.0385 (180deg=-0.434) USER MOD Single : A 58 ASN : amide:sc= -1.27! K(o=-1.3!,f=-0.082) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= -0.697 (180deg=-0.728) USER MOD Single : A 68 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0585) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 179:sc= -1.12 USER MOD Single : A 73 SER OG : rot 111:sc= 0.184 USER MOD Single : A 78 LYS NZ :NH3+ 159:sc= -0.927 (180deg=-1.57) USER MOD Single : A 79 MET CE :methyl -157:sc= -0.18 (180deg=-1.08) USER MOD Single : A 81 GLN : amide:sc= -0.0462 K(o=-0.046,f=-1.8!) USER MOD Single : A 85 LYS NZ :NH3+ -164:sc= -0.025 (180deg=-0.332) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 13 -9.546 9.892 -11.813 1.00 0.00 N ATOM 12 CA PHE A 13 -9.931 9.643 -10.396 1.00 0.00 C ATOM 13 C PHE A 13 -8.895 8.727 -9.740 1.00 0.00 C ATOM 14 O PHE A 13 -8.797 8.639 -8.533 1.00 0.00 O ATOM 15 CB PHE A 13 -11.305 8.965 -10.361 1.00 0.00 C ATOM 16 CG PHE A 13 -12.359 9.932 -10.853 1.00 0.00 C ATOM 17 CD1 PHE A 13 -12.905 10.877 -9.977 1.00 0.00 C ATOM 18 CD2 PHE A 13 -12.791 9.881 -12.186 1.00 0.00 C ATOM 19 CE1 PHE A 13 -13.880 11.773 -10.432 1.00 0.00 C ATOM 20 CE2 PHE A 13 -13.768 10.778 -12.639 1.00 0.00 C ATOM 21 CZ PHE A 13 -14.312 11.723 -11.762 1.00 0.00 C ATOM 0 HA PHE A 13 -9.973 10.588 -9.855 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.297 8.071 -10.985 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -11.537 8.643 -9.346 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -12.574 10.915 -8.950 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -12.371 9.151 -12.863 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -14.299 12.503 -9.756 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -14.101 10.740 -13.666 1.00 0.00 H new ATOM 0 HZ PHE A 13 -15.065 12.414 -12.112 1.00 0.00 H new ATOM 31 N PHE A 14 -8.121 8.046 -10.536 1.00 0.00 N ATOM 32 CA PHE A 14 -7.081 7.129 -9.986 1.00 0.00 C ATOM 33 C PHE A 14 -5.986 7.943 -9.289 1.00 0.00 C ATOM 34 O PHE A 14 -5.400 7.508 -8.316 1.00 0.00 O ATOM 35 CB PHE A 14 -6.455 6.322 -11.127 1.00 0.00 C ATOM 36 CG PHE A 14 -7.460 5.326 -11.652 1.00 0.00 C ATOM 37 CD1 PHE A 14 -7.572 4.064 -11.057 1.00 0.00 C ATOM 38 CD2 PHE A 14 -8.284 5.663 -12.734 1.00 0.00 C ATOM 39 CE1 PHE A 14 -8.506 3.140 -11.541 1.00 0.00 C ATOM 40 CE2 PHE A 14 -9.218 4.740 -13.218 1.00 0.00 C ATOM 41 CZ PHE A 14 -9.329 3.478 -12.621 1.00 0.00 C ATOM 0 H PHE A 14 -8.164 8.085 -11.554 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.546 6.454 -9.267 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.138 6.990 -11.927 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.564 5.803 -10.773 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.937 3.803 -10.223 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.198 6.636 -13.195 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.591 2.167 -11.081 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.853 5.001 -14.052 1.00 0.00 H new ATOM 0 HZ PHE A 14 -10.050 2.766 -12.994 1.00 0.00 H new ATOM 51 N ASN A 15 -5.695 9.113 -9.794 1.00 0.00 N ATOM 52 CA ASN A 15 -4.615 9.948 -9.182 1.00 0.00 C ATOM 53 C ASN A 15 -4.977 10.297 -7.734 1.00 0.00 C ATOM 54 O ASN A 15 -4.174 10.169 -6.831 1.00 0.00 O ATOM 55 CB ASN A 15 -4.480 11.248 -9.987 1.00 0.00 C ATOM 56 CG ASN A 15 -3.734 10.976 -11.294 1.00 0.00 C ATOM 57 OD1 ASN A 15 -3.065 9.971 -11.427 1.00 0.00 O ATOM 58 ND2 ASN A 15 -3.819 11.838 -12.272 1.00 0.00 N ATOM 0 H ASN A 15 -6.157 9.528 -10.603 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.678 9.392 -9.194 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.467 11.658 -10.200 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.944 11.995 -9.401 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.324 11.667 -13.147 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.381 12.682 -12.161 1.00 0.00 H new ATOM 65 N GLU A 16 -6.186 10.726 -7.512 1.00 0.00 N ATOM 66 CA GLU A 16 -6.618 11.085 -6.130 1.00 0.00 C ATOM 67 C GLU A 16 -6.766 9.813 -5.292 1.00 0.00 C ATOM 68 O GLU A 16 -6.484 9.796 -4.109 1.00 0.00 O ATOM 69 CB GLU A 16 -7.963 11.823 -6.189 1.00 0.00 C ATOM 70 CG GLU A 16 -8.959 11.021 -7.036 1.00 0.00 C ATOM 71 CD GLU A 16 -10.317 11.727 -7.049 1.00 0.00 C ATOM 72 OE1 GLU A 16 -10.334 12.940 -7.175 1.00 0.00 O ATOM 73 OE2 GLU A 16 -11.319 11.040 -6.935 1.00 0.00 O ATOM 0 H GLU A 16 -6.899 10.845 -8.231 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.870 11.732 -5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.357 11.961 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.825 12.816 -6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.583 10.917 -8.054 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.066 10.015 -6.632 1.00 0.00 H new ATOM 80 N GLN A 17 -7.222 8.753 -5.901 1.00 0.00 N ATOM 81 CA GLN A 17 -7.413 7.473 -5.158 1.00 0.00 C ATOM 82 C GLN A 17 -6.049 6.928 -4.717 1.00 0.00 C ATOM 83 O GLN A 17 -5.888 6.438 -3.617 1.00 0.00 O ATOM 84 CB GLN A 17 -8.092 6.454 -6.082 1.00 0.00 C ATOM 85 CG GLN A 17 -8.467 5.198 -5.290 1.00 0.00 C ATOM 86 CD GLN A 17 -9.558 5.533 -4.272 1.00 0.00 C ATOM 87 OE1 GLN A 17 -10.467 6.284 -4.559 1.00 0.00 O ATOM 88 NE2 GLN A 17 -9.505 5.000 -3.081 1.00 0.00 N ATOM 0 H GLN A 17 -7.473 8.718 -6.889 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.034 7.648 -4.280 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.985 6.893 -6.528 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.423 6.191 -6.901 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.817 4.420 -5.969 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.589 4.804 -4.779 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.742 4.369 -2.838 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.227 5.215 -2.393 1.00 0.00 H new ATOM 97 N LYS A 18 -5.069 7.015 -5.577 1.00 0.00 N ATOM 98 CA LYS A 18 -3.705 6.511 -5.230 1.00 0.00 C ATOM 99 C LYS A 18 -3.128 7.342 -4.084 1.00 0.00 C ATOM 100 O LYS A 18 -2.493 6.828 -3.185 1.00 0.00 O ATOM 101 CB LYS A 18 -2.787 6.642 -6.448 1.00 0.00 C ATOM 102 CG LYS A 18 -3.147 5.581 -7.489 1.00 0.00 C ATOM 103 CD LYS A 18 -2.434 5.891 -8.810 1.00 0.00 C ATOM 104 CE LYS A 18 -0.918 5.902 -8.596 1.00 0.00 C ATOM 105 NZ LYS A 18 -0.229 5.788 -9.911 1.00 0.00 N ATOM 0 H LYS A 18 -5.154 7.416 -6.511 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.775 5.466 -4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.884 7.637 -6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.747 6.527 -6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.857 4.593 -7.131 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.226 5.560 -7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.698 5.145 -9.559 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.763 6.857 -9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.618 6.822 -8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.626 5.076 -7.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.801 5.796 -9.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.507 4.898 -10.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.499 6.590 -10.515 1.00 0.00 H new ATOM 119 N GLU A 19 -3.331 8.628 -4.127 1.00 0.00 N ATOM 120 CA GLU A 19 -2.783 9.516 -3.059 1.00 0.00 C ATOM 121 C GLU A 19 -3.386 9.125 -1.707 1.00 0.00 C ATOM 122 O GLU A 19 -2.701 9.074 -0.705 1.00 0.00 O ATOM 123 CB GLU A 19 -3.148 10.982 -3.395 1.00 0.00 C ATOM 124 CG GLU A 19 -1.934 11.712 -3.973 1.00 0.00 C ATOM 125 CD GLU A 19 -1.517 11.053 -5.290 1.00 0.00 C ATOM 126 OE1 GLU A 19 -2.116 10.052 -5.647 1.00 0.00 O ATOM 127 OE2 GLU A 19 -0.601 11.560 -5.917 1.00 0.00 O ATOM 0 H GLU A 19 -3.855 9.107 -4.859 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.699 9.410 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.969 11.004 -4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.494 11.493 -2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.174 12.762 -4.140 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.108 11.683 -3.263 1.00 0.00 H new ATOM 134 N LYS A 20 -4.660 8.857 -1.679 1.00 0.00 N ATOM 135 CA LYS A 20 -5.315 8.477 -0.396 1.00 0.00 C ATOM 136 C LYS A 20 -4.729 7.153 0.094 1.00 0.00 C ATOM 137 O LYS A 20 -4.451 6.974 1.262 1.00 0.00 O ATOM 138 CB LYS A 20 -6.820 8.297 -0.622 1.00 0.00 C ATOM 139 CG LYS A 20 -7.467 9.649 -0.935 1.00 0.00 C ATOM 140 CD LYS A 20 -8.964 9.446 -1.193 1.00 0.00 C ATOM 141 CE LYS A 20 -9.620 10.795 -1.493 1.00 0.00 C ATOM 142 NZ LYS A 20 -11.074 10.591 -1.761 1.00 0.00 N ATOM 0 H LYS A 20 -5.278 8.884 -2.490 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.144 9.260 0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.992 7.603 -1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.280 7.861 0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.320 10.337 -0.103 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.993 10.099 -1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.110 8.765 -2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.434 8.987 -0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.486 11.472 -0.650 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.142 11.261 -2.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.521 11.507 -1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.191 9.959 -2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.524 10.164 -0.926 1.00 0.00 H new ATOM 156 N VAL A 21 -4.545 6.228 -0.807 1.00 0.00 N ATOM 157 CA VAL A 21 -3.986 4.898 -0.430 1.00 0.00 C ATOM 158 C VAL A 21 -2.543 5.065 0.059 1.00 0.00 C ATOM 159 O VAL A 21 -2.133 4.475 1.038 1.00 0.00 O ATOM 160 CB VAL A 21 -3.996 3.980 -1.658 1.00 0.00 C ATOM 161 CG1 VAL A 21 -3.303 2.660 -1.318 1.00 0.00 C ATOM 162 CG2 VAL A 21 -5.442 3.703 -2.079 1.00 0.00 C ATOM 0 H VAL A 21 -4.760 6.337 -1.798 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.592 4.463 0.365 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.466 4.467 -2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.311 2.009 -2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.273 2.856 -1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.830 2.173 -0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.448 3.050 -2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.973 3.218 -1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.936 4.643 -2.325 1.00 0.00 H new ATOM 172 N THR A 22 -1.776 5.858 -0.633 1.00 0.00 N ATOM 173 CA THR A 22 -0.351 6.070 -0.244 1.00 0.00 C ATOM 174 C THR A 22 -0.274 6.692 1.149 1.00 0.00 C ATOM 175 O THR A 22 0.515 6.286 1.977 1.00 0.00 O ATOM 176 CB THR A 22 0.311 7.012 -1.253 1.00 0.00 C ATOM 177 OG1 THR A 22 0.290 6.410 -2.540 1.00 0.00 O ATOM 178 CG2 THR A 22 1.759 7.281 -0.838 1.00 0.00 C ATOM 0 H THR A 22 -2.076 6.374 -1.460 1.00 0.00 H new ATOM 0 HA THR A 22 0.164 5.109 -0.235 1.00 0.00 H new ATOM 0 HB THR A 22 -0.234 7.955 -1.280 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.614 6.467 -2.913 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.226 7.952 -1.559 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.775 7.742 0.149 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.310 6.341 -0.808 1.00 0.00 H new ATOM 186 N LEU A 23 -1.082 7.682 1.402 1.00 0.00 N ATOM 187 CA LEU A 23 -1.065 8.356 2.732 1.00 0.00 C ATOM 188 C LEU A 23 -1.472 7.361 3.830 1.00 0.00 C ATOM 189 O LEU A 23 -0.923 7.341 4.918 1.00 0.00 O ATOM 190 CB LEU A 23 -2.050 9.531 2.719 1.00 0.00 C ATOM 191 CG LEU A 23 -1.695 10.520 3.850 1.00 0.00 C ATOM 192 CD1 LEU A 23 -0.658 11.533 3.349 1.00 0.00 C ATOM 193 CD2 LEU A 23 -2.953 11.265 4.305 1.00 0.00 C ATOM 0 H LEU A 23 -1.760 8.057 0.739 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.058 8.721 2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.014 10.038 1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.069 9.166 2.849 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.281 9.962 4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.411 12.228 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.243 11.006 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.068 12.085 2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.695 11.961 5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.373 11.817 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.688 10.548 4.672 1.00 0.00 H new ATOM 205 N TYR A 24 -2.452 6.555 3.549 1.00 0.00 N ATOM 206 CA TYR A 24 -2.930 5.557 4.548 1.00 0.00 C ATOM 207 C TYR A 24 -1.837 4.518 4.795 1.00 0.00 C ATOM 208 O TYR A 24 -1.636 4.056 5.899 1.00 0.00 O ATOM 209 CB TYR A 24 -4.188 4.870 4.006 1.00 0.00 C ATOM 210 CG TYR A 24 -4.653 3.790 4.958 1.00 0.00 C ATOM 211 CD1 TYR A 24 -5.560 4.096 5.979 1.00 0.00 C ATOM 212 CD2 TYR A 24 -4.189 2.477 4.806 1.00 0.00 C ATOM 213 CE1 TYR A 24 -5.998 3.094 6.854 1.00 0.00 C ATOM 214 CE2 TYR A 24 -4.629 1.474 5.681 1.00 0.00 C ATOM 215 CZ TYR A 24 -5.533 1.782 6.705 1.00 0.00 C ATOM 216 OH TYR A 24 -5.965 0.793 7.565 1.00 0.00 O ATOM 0 H TYR A 24 -2.951 6.543 2.659 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.164 6.057 5.488 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.980 5.606 3.866 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.980 4.436 3.028 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.923 5.107 6.092 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.493 2.238 4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.695 3.334 7.644 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.270 0.462 5.565 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.546 -0.059 7.321 1.00 0.00 H new ATOM 226 N LEU A 25 -1.154 4.127 3.757 1.00 0.00 N ATOM 227 CA LEU A 25 -0.088 3.095 3.899 1.00 0.00 C ATOM 228 C LEU A 25 1.024 3.580 4.828 1.00 0.00 C ATOM 229 O LEU A 25 1.459 2.871 5.710 1.00 0.00 O ATOM 230 CB LEU A 25 0.518 2.824 2.513 1.00 0.00 C ATOM 231 CG LEU A 25 -0.422 1.926 1.698 1.00 0.00 C ATOM 232 CD1 LEU A 25 0.038 1.898 0.235 1.00 0.00 C ATOM 233 CD2 LEU A 25 -0.418 0.492 2.269 1.00 0.00 C ATOM 0 H LEU A 25 -1.289 4.480 2.809 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.529 2.192 4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.682 3.765 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.491 2.345 2.619 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.434 2.326 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.630 1.260 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.018 2.909 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.053 1.505 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.089 -0.135 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.592 0.085 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.754 0.512 3.306 1.00 0.00 H new ATOM 245 N LYS A 26 1.487 4.777 4.629 1.00 0.00 N ATOM 246 CA LYS A 26 2.588 5.310 5.483 1.00 0.00 C ATOM 247 C LYS A 26 2.108 5.479 6.922 1.00 0.00 C ATOM 248 O LYS A 26 2.859 5.304 7.862 1.00 0.00 O ATOM 249 CB LYS A 26 3.048 6.658 4.931 1.00 0.00 C ATOM 250 CG LYS A 26 1.844 7.584 4.757 1.00 0.00 C ATOM 251 CD LYS A 26 2.316 8.979 4.328 1.00 0.00 C ATOM 252 CE LYS A 26 2.832 8.942 2.885 1.00 0.00 C ATOM 253 NZ LYS A 26 2.916 10.327 2.351 1.00 0.00 N ATOM 0 H LYS A 26 1.151 5.416 3.909 1.00 0.00 H new ATOM 0 HA LYS A 26 3.420 4.606 5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.772 7.111 5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.551 6.517 3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.164 7.175 4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.287 7.650 5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.494 9.690 4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.105 9.325 4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.813 8.468 2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.166 8.342 2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.487 10.361 1.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.406 10.975 2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.913 10.616 2.290 1.00 0.00 H new ATOM 267 N HIS A 27 0.868 5.834 7.098 1.00 0.00 N ATOM 268 CA HIS A 27 0.329 6.034 8.474 1.00 0.00 C ATOM 269 C HIS A 27 0.153 4.687 9.175 1.00 0.00 C ATOM 270 O HIS A 27 0.341 4.569 10.369 1.00 0.00 O ATOM 271 CB HIS A 27 -1.028 6.733 8.388 1.00 0.00 C ATOM 272 CG HIS A 27 -0.824 8.172 8.010 1.00 0.00 C ATOM 273 ND1 HIS A 27 0.112 8.972 8.641 1.00 0.00 N ATOM 274 CD2 HIS A 27 -1.430 8.972 7.073 1.00 0.00 C ATOM 275 CE1 HIS A 27 0.049 10.193 8.082 1.00 0.00 C ATOM 276 NE2 HIS A 27 -0.876 10.248 7.120 1.00 0.00 N ATOM 0 H HIS A 27 0.199 5.996 6.345 1.00 0.00 H new ATOM 0 HA HIS A 27 1.030 6.644 9.043 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.659 6.237 7.650 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.545 6.667 9.345 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.216 8.659 6.402 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.670 11.027 8.375 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -1.123 11.052 6.544 1.00 0.00 H new ATOM 284 N ASN A 28 -0.228 3.675 8.446 1.00 0.00 N ATOM 285 CA ASN A 28 -0.437 2.331 9.066 1.00 0.00 C ATOM 286 C ASN A 28 0.834 1.497 8.915 1.00 0.00 C ATOM 287 O ASN A 28 0.910 0.373 9.366 1.00 0.00 O ATOM 288 CB ASN A 28 -1.598 1.625 8.359 1.00 0.00 C ATOM 289 CG ASN A 28 -2.909 2.353 8.672 1.00 0.00 C ATOM 290 OD1 ASN A 28 -3.433 2.239 9.761 1.00 0.00 O ATOM 291 ND2 ASN A 28 -3.462 3.105 7.759 1.00 0.00 N ATOM 0 H ASN A 28 -0.405 3.719 7.442 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.669 2.448 10.125 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.427 1.610 7.283 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.659 0.587 8.686 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.333 3.596 7.961 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.023 3.202 6.843 1.00 0.00 H new ATOM 298 N ILE A 29 1.836 2.045 8.282 1.00 0.00 N ATOM 299 CA ILE A 29 3.115 1.297 8.094 1.00 0.00 C ATOM 300 C ILE A 29 4.299 2.261 8.269 1.00 0.00 C ATOM 301 O ILE A 29 4.799 2.820 7.315 1.00 0.00 O ATOM 302 CB ILE A 29 3.156 0.689 6.692 1.00 0.00 C ATOM 303 CG1 ILE A 29 1.844 -0.056 6.423 1.00 0.00 C ATOM 304 CG2 ILE A 29 4.324 -0.292 6.603 1.00 0.00 C ATOM 305 CD1 ILE A 29 1.885 -0.694 5.032 1.00 0.00 C ATOM 0 H ILE A 29 1.824 2.984 7.884 1.00 0.00 H new ATOM 0 HA ILE A 29 3.180 0.499 8.834 1.00 0.00 H new ATOM 0 HB ILE A 29 3.284 1.479 5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.689 -0.824 7.181 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.003 0.634 6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.357 -0.728 5.605 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.258 0.235 6.800 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.191 -1.083 7.341 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.950 -1.222 4.846 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.019 0.083 4.279 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.716 -1.398 4.979 1.00 0.00 H new ATOM 317 N PRO A 30 4.749 2.449 9.484 1.00 0.00 N ATOM 318 CA PRO A 30 5.903 3.350 9.787 1.00 0.00 C ATOM 319 C PRO A 30 7.150 2.948 8.986 1.00 0.00 C ATOM 320 O PRO A 30 7.969 3.769 8.623 1.00 0.00 O ATOM 321 CB PRO A 30 6.145 3.140 11.294 1.00 0.00 C ATOM 322 CG PRO A 30 4.846 2.633 11.832 1.00 0.00 C ATOM 323 CD PRO A 30 4.203 1.834 10.701 1.00 0.00 C ATOM 0 HA PRO A 30 5.698 4.388 9.524 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.949 2.425 11.468 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.436 4.071 11.780 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.005 2.007 12.710 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.204 3.458 12.141 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.458 0.776 10.764 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.116 1.902 10.731 1.00 0.00 H new ATOM 331 N ASP A 31 7.288 1.679 8.724 1.00 0.00 N ATOM 332 CA ASP A 31 8.471 1.179 7.962 1.00 0.00 C ATOM 333 C ASP A 31 8.224 1.367 6.461 1.00 0.00 C ATOM 334 O ASP A 31 8.923 0.819 5.633 1.00 0.00 O ATOM 335 CB ASP A 31 8.673 -0.310 8.271 1.00 0.00 C ATOM 336 CG ASP A 31 9.132 -0.477 9.723 1.00 0.00 C ATOM 337 OD1 ASP A 31 9.532 0.513 10.315 1.00 0.00 O ATOM 338 OD2 ASP A 31 9.079 -1.592 10.217 1.00 0.00 O ATOM 0 H ASP A 31 6.625 0.957 9.007 1.00 0.00 H new ATOM 0 HA ASP A 31 9.362 1.736 8.252 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.743 -0.855 8.108 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.414 -0.735 7.594 1.00 0.00 H new ATOM 343 N PHE A 32 7.228 2.135 6.112 1.00 0.00 N ATOM 344 CA PHE A 32 6.917 2.358 4.670 1.00 0.00 C ATOM 345 C PHE A 32 8.142 2.927 3.958 1.00 0.00 C ATOM 346 O PHE A 32 8.756 3.877 4.402 1.00 0.00 O ATOM 347 CB PHE A 32 5.752 3.342 4.541 1.00 0.00 C ATOM 348 CG PHE A 32 5.490 3.633 3.082 1.00 0.00 C ATOM 349 CD1 PHE A 32 6.293 4.550 2.394 1.00 0.00 C ATOM 350 CD2 PHE A 32 4.443 2.982 2.417 1.00 0.00 C ATOM 351 CE1 PHE A 32 6.053 4.813 1.041 1.00 0.00 C ATOM 352 CE2 PHE A 32 4.202 3.246 1.066 1.00 0.00 C ATOM 353 CZ PHE A 32 5.008 4.162 0.377 1.00 0.00 C ATOM 0 H PHE A 32 6.613 2.620 6.766 1.00 0.00 H new ATOM 0 HA PHE A 32 6.643 1.407 4.213 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.858 2.925 5.005 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.984 4.266 5.070 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.098 5.055 2.908 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.822 2.276 2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.674 5.518 0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.395 2.744 0.553 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.822 4.366 -0.667 1.00 0.00 H new ATOM 363 N ASN A 33 8.489 2.338 2.848 1.00 0.00 N ATOM 364 CA ASN A 33 9.670 2.802 2.057 1.00 0.00 C ATOM 365 C ASN A 33 9.186 3.299 0.696 1.00 0.00 C ATOM 366 O ASN A 33 9.264 4.469 0.383 1.00 0.00 O ATOM 367 CB ASN A 33 10.619 1.620 1.853 1.00 0.00 C ATOM 368 CG ASN A 33 11.878 2.086 1.122 1.00 0.00 C ATOM 369 OD1 ASN A 33 11.963 3.218 0.693 1.00 0.00 O ATOM 370 ND2 ASN A 33 12.867 1.250 0.964 1.00 0.00 N ATOM 0 H ASN A 33 7.997 1.540 2.446 1.00 0.00 H new ATOM 0 HA ASN A 33 10.186 3.606 2.582 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.887 1.186 2.817 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.122 0.838 1.278 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.714 1.547 0.479 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.794 0.299 1.325 1.00 0.00 H new ATOM 377 N THR A 34 8.684 2.406 -0.117 1.00 0.00 N ATOM 378 CA THR A 34 8.190 2.804 -1.472 1.00 0.00 C ATOM 379 C THR A 34 6.920 2.033 -1.809 1.00 0.00 C ATOM 380 O THR A 34 6.583 1.056 -1.172 1.00 0.00 O ATOM 381 CB THR A 34 9.259 2.496 -2.524 1.00 0.00 C ATOM 382 OG1 THR A 34 8.714 2.710 -3.819 1.00 0.00 O ATOM 383 CG2 THR A 34 9.718 1.039 -2.399 1.00 0.00 C ATOM 0 H THR A 34 8.594 1.413 0.099 1.00 0.00 H new ATOM 0 HA THR A 34 7.976 3.873 -1.469 1.00 0.00 H new ATOM 0 HB THR A 34 10.116 3.152 -2.368 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.395 2.516 -4.497 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.478 0.831 -3.152 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.136 0.873 -1.406 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.867 0.375 -2.550 1.00 0.00 H new ATOM 391 N VAL A 35 6.215 2.479 -2.813 1.00 0.00 N ATOM 392 CA VAL A 35 4.949 1.799 -3.225 1.00 0.00 C ATOM 393 C VAL A 35 4.938 1.626 -4.742 1.00 0.00 C ATOM 394 O VAL A 35 5.322 2.509 -5.483 1.00 0.00 O ATOM 395 CB VAL A 35 3.747 2.650 -2.797 1.00 0.00 C ATOM 396 CG1 VAL A 35 3.916 4.099 -3.272 1.00 0.00 C ATOM 397 CG2 VAL A 35 2.468 2.065 -3.395 1.00 0.00 C ATOM 0 H VAL A 35 6.463 3.295 -3.373 1.00 0.00 H new ATOM 0 HA VAL A 35 4.888 0.822 -2.746 1.00 0.00 H new ATOM 0 HB VAL A 35 3.684 2.642 -1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.053 4.687 -2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.821 4.522 -2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.994 4.119 -4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.614 2.670 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.542 2.064 -4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.334 1.043 -3.039 1.00 0.00 H new ATOM 407 N THR A 36 4.490 0.488 -5.200 1.00 0.00 N ATOM 408 CA THR A 36 4.429 0.223 -6.671 1.00 0.00 C ATOM 409 C THR A 36 3.006 -0.172 -7.059 1.00 0.00 C ATOM 410 O THR A 36 2.491 -1.193 -6.645 1.00 0.00 O ATOM 411 CB THR A 36 5.397 -0.905 -7.028 1.00 0.00 C ATOM 412 OG1 THR A 36 6.718 -0.509 -6.685 1.00 0.00 O ATOM 413 CG2 THR A 36 5.320 -1.189 -8.532 1.00 0.00 C ATOM 0 H THR A 36 4.160 -0.278 -4.614 1.00 0.00 H new ATOM 0 HA THR A 36 4.712 1.124 -7.216 1.00 0.00 H new ATOM 0 HB THR A 36 5.130 -1.807 -6.478 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.344 -1.229 -6.910 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.010 -1.993 -8.786 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.305 -1.486 -8.795 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.590 -0.290 -9.086 1.00 0.00 H new ATOM 421 N PHE A 37 2.378 0.640 -7.862 1.00 0.00 N ATOM 422 CA PHE A 37 0.984 0.350 -8.303 1.00 0.00 C ATOM 423 C PHE A 37 1.027 -0.541 -9.542 1.00 0.00 C ATOM 424 O PHE A 37 1.793 -0.315 -10.458 1.00 0.00 O ATOM 425 CB PHE A 37 0.277 1.664 -8.647 1.00 0.00 C ATOM 426 CG PHE A 37 0.029 2.448 -7.380 1.00 0.00 C ATOM 427 CD1 PHE A 37 1.002 3.335 -6.902 1.00 0.00 C ATOM 428 CD2 PHE A 37 -1.171 2.285 -6.681 1.00 0.00 C ATOM 429 CE1 PHE A 37 0.772 4.058 -5.725 1.00 0.00 C ATOM 430 CE2 PHE A 37 -1.402 3.007 -5.505 1.00 0.00 C ATOM 431 CZ PHE A 37 -0.431 3.894 -5.027 1.00 0.00 C ATOM 0 H PHE A 37 2.775 1.502 -8.236 1.00 0.00 H new ATOM 0 HA PHE A 37 0.443 -0.156 -7.504 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.887 2.248 -9.336 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.667 1.460 -9.152 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.929 3.461 -7.441 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.921 1.601 -7.049 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.522 4.742 -5.356 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.329 2.880 -4.966 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.609 4.452 -4.120 1.00 0.00 H new ATOM 441 N THR A 38 0.202 -1.549 -9.569 1.00 0.00 N ATOM 442 CA THR A 38 0.161 -2.483 -10.735 1.00 0.00 C ATOM 443 C THR A 38 -1.168 -2.293 -11.471 1.00 0.00 C ATOM 444 O THR A 38 -1.236 -2.381 -12.681 1.00 0.00 O ATOM 445 CB THR A 38 0.271 -3.926 -10.227 1.00 0.00 C ATOM 446 OG1 THR A 38 -0.782 -4.188 -9.309 1.00 0.00 O ATOM 447 CG2 THR A 38 1.619 -4.122 -9.530 1.00 0.00 C ATOM 0 H THR A 38 -0.457 -1.771 -8.823 1.00 0.00 H new ATOM 0 HA THR A 38 0.989 -2.277 -11.414 1.00 0.00 H new ATOM 0 HB THR A 38 0.196 -4.613 -11.070 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.112 -3.342 -8.940 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.696 -5.148 -9.169 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.426 -3.924 -10.236 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.697 -3.434 -8.688 1.00 0.00 H new ATOM 455 N ASN A 39 -2.223 -2.033 -10.739 1.00 0.00 N ATOM 456 CA ASN A 39 -3.563 -1.829 -11.376 1.00 0.00 C ATOM 457 C ASN A 39 -3.910 -3.051 -12.231 1.00 0.00 C ATOM 458 O ASN A 39 -4.577 -2.950 -13.243 1.00 0.00 O ATOM 459 CB ASN A 39 -3.542 -0.569 -12.251 1.00 0.00 C ATOM 460 CG ASN A 39 -3.479 0.672 -11.358 1.00 0.00 C ATOM 461 OD1 ASN A 39 -3.772 0.607 -10.181 1.00 0.00 O ATOM 462 ND2 ASN A 39 -3.106 1.810 -11.875 1.00 0.00 N ATOM 0 H ASN A 39 -2.214 -1.953 -9.722 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.317 -1.704 -10.598 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.682 -0.592 -12.920 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.433 -0.534 -12.878 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.060 2.645 -11.291 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.860 1.865 -12.863 1.00 0.00 H new ATOM 469 N GLU A 40 -3.465 -4.209 -11.820 1.00 0.00 N ATOM 470 CA GLU A 40 -3.757 -5.462 -12.589 1.00 0.00 C ATOM 471 C GLU A 40 -5.004 -6.139 -12.012 1.00 0.00 C ATOM 472 O GLU A 40 -5.264 -7.297 -12.264 1.00 0.00 O ATOM 473 CB GLU A 40 -2.553 -6.412 -12.498 1.00 0.00 C ATOM 474 CG GLU A 40 -1.383 -5.835 -13.304 1.00 0.00 C ATOM 475 CD GLU A 40 -0.135 -6.705 -13.116 1.00 0.00 C ATOM 476 OE1 GLU A 40 -0.219 -7.684 -12.393 1.00 0.00 O ATOM 477 OE2 GLU A 40 0.884 -6.377 -13.702 1.00 0.00 O ATOM 0 H GLU A 40 -2.907 -4.345 -10.977 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.938 -5.215 -13.635 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.260 -6.546 -11.457 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.823 -7.396 -12.882 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.647 -5.788 -14.360 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.177 -4.815 -12.981 1.00 0.00 H new ATOM 484 N GLU A 41 -5.781 -5.419 -11.239 1.00 0.00 N ATOM 485 CA GLU A 41 -7.027 -6.010 -10.640 1.00 0.00 C ATOM 486 C GLU A 41 -8.195 -5.033 -10.796 1.00 0.00 C ATOM 487 O GLU A 41 -8.026 -3.829 -10.790 1.00 0.00 O ATOM 488 CB GLU A 41 -6.805 -6.301 -9.154 1.00 0.00 C ATOM 489 CG GLU A 41 -5.818 -7.461 -9.005 1.00 0.00 C ATOM 490 CD GLU A 41 -5.533 -7.714 -7.522 1.00 0.00 C ATOM 491 OE1 GLU A 41 -6.108 -7.020 -6.700 1.00 0.00 O ATOM 492 OE2 GLU A 41 -4.745 -8.600 -7.234 1.00 0.00 O ATOM 0 H GLU A 41 -5.608 -4.444 -10.994 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.260 -6.939 -11.160 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.419 -5.414 -8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.752 -6.551 -8.676 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.228 -8.360 -9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.890 -7.230 -9.529 1.00 0.00 H new ATOM 499 N PHE A 42 -9.381 -5.558 -10.937 1.00 0.00 N ATOM 500 CA PHE A 42 -10.587 -4.691 -11.094 1.00 0.00 C ATOM 501 C PHE A 42 -11.842 -5.506 -10.771 1.00 0.00 C ATOM 502 O PHE A 42 -12.080 -6.558 -11.335 1.00 0.00 O ATOM 503 CB PHE A 42 -10.664 -4.162 -12.528 1.00 0.00 C ATOM 504 CG PHE A 42 -10.552 -5.306 -13.512 1.00 0.00 C ATOM 505 CD1 PHE A 42 -11.699 -6.005 -13.911 1.00 0.00 C ATOM 506 CD2 PHE A 42 -9.302 -5.661 -14.036 1.00 0.00 C ATOM 507 CE1 PHE A 42 -11.595 -7.057 -14.829 1.00 0.00 C ATOM 508 CE2 PHE A 42 -9.198 -6.713 -14.953 1.00 0.00 C ATOM 509 CZ PHE A 42 -10.345 -7.412 -15.350 1.00 0.00 C ATOM 0 H PHE A 42 -9.570 -6.560 -10.950 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.518 -3.845 -10.410 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -11.605 -3.634 -12.679 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.863 -3.443 -12.702 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -12.664 -5.732 -13.510 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.417 -5.122 -13.732 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.480 -7.595 -15.135 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.233 -6.986 -15.355 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.265 -8.224 -16.057 1.00 0.00 H new ATOM 519 N ASN A 43 -12.642 -5.025 -9.854 1.00 0.00 N ATOM 520 CA ASN A 43 -13.881 -5.762 -9.463 1.00 0.00 C ATOM 521 C ASN A 43 -15.063 -5.293 -10.329 1.00 0.00 C ATOM 522 O ASN A 43 -15.101 -4.163 -10.776 1.00 0.00 O ATOM 523 CB ASN A 43 -14.190 -5.490 -7.983 1.00 0.00 C ATOM 524 CG ASN A 43 -13.941 -4.014 -7.655 1.00 0.00 C ATOM 525 OD1 ASN A 43 -13.649 -3.224 -8.529 1.00 0.00 O ATOM 526 ND2 ASN A 43 -14.049 -3.610 -6.417 1.00 0.00 N ATOM 0 H ASN A 43 -12.489 -4.148 -9.356 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.728 -6.830 -9.615 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -15.226 -5.749 -7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.565 -6.121 -7.351 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.888 -2.630 -6.184 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.294 -4.275 -5.683 1.00 0.00 H new ATOM 533 N PRO A 44 -16.026 -6.157 -10.559 1.00 0.00 N ATOM 534 CA PRO A 44 -17.228 -5.823 -11.383 1.00 0.00 C ATOM 535 C PRO A 44 -18.087 -4.738 -10.722 1.00 0.00 C ATOM 536 O PRO A 44 -18.827 -4.028 -11.374 1.00 0.00 O ATOM 537 CB PRO A 44 -18.003 -7.157 -11.471 1.00 0.00 C ATOM 538 CG PRO A 44 -17.506 -7.989 -10.326 1.00 0.00 C ATOM 539 CD PRO A 44 -16.073 -7.539 -10.057 1.00 0.00 C ATOM 0 HA PRO A 44 -16.956 -5.423 -12.360 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -19.078 -6.991 -11.398 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -17.821 -7.654 -12.424 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -18.130 -7.847 -9.443 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -17.540 -9.050 -10.573 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.835 -7.585 -8.994 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.353 -8.174 -10.573 1.00 0.00 H new ATOM 547 N ILE A 45 -17.986 -4.618 -9.431 1.00 0.00 N ATOM 548 CA ILE A 45 -18.784 -3.593 -8.705 1.00 0.00 C ATOM 549 C ILE A 45 -18.246 -2.202 -9.038 1.00 0.00 C ATOM 550 O ILE A 45 -18.954 -1.216 -8.986 1.00 0.00 O ATOM 551 CB ILE A 45 -18.671 -3.848 -7.194 1.00 0.00 C ATOM 552 CG1 ILE A 45 -19.701 -2.988 -6.452 1.00 0.00 C ATOM 553 CG2 ILE A 45 -17.263 -3.497 -6.703 1.00 0.00 C ATOM 554 CD1 ILE A 45 -21.129 -3.477 -6.756 1.00 0.00 C ATOM 0 H ILE A 45 -17.381 -5.190 -8.842 1.00 0.00 H new ATOM 0 HA ILE A 45 -19.830 -3.653 -9.007 1.00 0.00 H new ATOM 0 HB ILE A 45 -18.863 -4.903 -6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -19.516 -3.032 -5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -19.596 -1.945 -6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -17.195 -3.682 -5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.531 -4.114 -7.225 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -17.059 -2.445 -6.904 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -21.848 -2.856 -6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -21.317 -3.409 -7.828 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -21.235 -4.513 -6.434 1.00 0.00 H new ATOM 566 N GLY A 46 -16.991 -2.125 -9.374 1.00 0.00 N ATOM 567 CA GLY A 46 -16.382 -0.808 -9.708 1.00 0.00 C ATOM 568 C GLY A 46 -14.920 -1.009 -10.103 1.00 0.00 C ATOM 569 O GLY A 46 -14.614 -1.701 -11.055 1.00 0.00 O ATOM 0 H GLY A 46 -16.356 -2.921 -9.432 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.930 -0.339 -10.525 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.450 -0.136 -8.852 1.00 0.00 H new ATOM 573 N ILE A 47 -14.018 -0.399 -9.379 1.00 0.00 N ATOM 574 CA ILE A 47 -12.559 -0.527 -9.698 1.00 0.00 C ATOM 575 C ILE A 47 -11.782 -0.992 -8.471 1.00 0.00 C ATOM 576 O ILE A 47 -12.216 -0.848 -7.345 1.00 0.00 O ATOM 577 CB ILE A 47 -12.018 0.836 -10.150 1.00 0.00 C ATOM 578 CG1 ILE A 47 -12.193 1.880 -9.034 1.00 0.00 C ATOM 579 CG2 ILE A 47 -12.777 1.292 -11.397 1.00 0.00 C ATOM 580 CD1 ILE A 47 -11.569 3.207 -9.472 1.00 0.00 C ATOM 0 H ILE A 47 -14.229 0.188 -8.572 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.437 -1.262 -10.493 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.956 0.738 -10.376 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.252 2.019 -8.815 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.721 1.529 -8.116 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.396 2.260 -11.721 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.639 0.562 -12.194 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.838 1.379 -11.165 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.693 3.946 -8.681 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.507 3.062 -9.669 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.062 3.559 -10.378 1.00 0.00 H new ATOM 592 N SER A 48 -10.624 -1.541 -8.698 1.00 0.00 N ATOM 593 CA SER A 48 -9.771 -2.022 -7.572 1.00 0.00 C ATOM 594 C SER A 48 -8.310 -1.715 -7.893 1.00 0.00 C ATOM 595 O SER A 48 -7.864 -1.860 -9.014 1.00 0.00 O ATOM 596 CB SER A 48 -9.952 -3.528 -7.402 1.00 0.00 C ATOM 597 OG SER A 48 -11.335 -3.819 -7.265 1.00 0.00 O ATOM 0 H SER A 48 -10.225 -1.680 -9.626 1.00 0.00 H new ATOM 0 HA SER A 48 -10.060 -1.520 -6.648 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.541 -4.055 -8.263 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.406 -3.875 -6.525 1.00 0.00 H new ATOM 0 HG SER A 48 -11.457 -4.785 -7.157 1.00 0.00 H new ATOM 603 N ILE A 49 -7.568 -1.291 -6.907 1.00 0.00 N ATOM 604 CA ILE A 49 -6.125 -0.953 -7.120 1.00 0.00 C ATOM 605 C ILE A 49 -5.252 -1.961 -6.381 1.00 0.00 C ATOM 606 O ILE A 49 -5.420 -2.204 -5.203 1.00 0.00 O ATOM 607 CB ILE A 49 -5.856 0.453 -6.586 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.680 1.455 -7.400 1.00 0.00 C ATOM 609 CG2 ILE A 49 -4.367 0.772 -6.727 1.00 0.00 C ATOM 610 CD1 ILE A 49 -6.628 2.834 -6.738 1.00 0.00 C ATOM 0 H ILE A 49 -7.900 -1.162 -5.951 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.891 -0.989 -8.184 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.136 0.515 -5.535 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.293 1.516 -8.417 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.713 1.116 -7.472 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.172 1.775 -6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.784 0.048 -6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.082 0.721 -7.778 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.216 3.541 -7.323 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.036 2.769 -5.729 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.594 3.176 -6.689 1.00 0.00 H new ATOM 622 N ASP A 50 -4.324 -2.552 -7.085 1.00 0.00 N ATOM 623 CA ASP A 50 -3.413 -3.570 -6.473 1.00 0.00 C ATOM 624 C ASP A 50 -1.966 -3.098 -6.591 1.00 0.00 C ATOM 625 O ASP A 50 -1.568 -2.499 -7.577 1.00 0.00 O ATOM 626 CB ASP A 50 -3.572 -4.898 -7.219 1.00 0.00 C ATOM 627 CG ASP A 50 -2.722 -5.978 -6.546 1.00 0.00 C ATOM 628 OD1 ASP A 50 -1.959 -5.640 -5.658 1.00 0.00 O ATOM 629 OD2 ASP A 50 -2.854 -7.129 -6.927 1.00 0.00 O ATOM 0 H ASP A 50 -4.154 -2.371 -8.074 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.667 -3.702 -5.421 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.620 -5.199 -7.225 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.268 -4.780 -8.259 1.00 0.00 H new ATOM 634 N GLY A 51 -1.185 -3.369 -5.584 1.00 0.00 N ATOM 635 CA GLY A 51 0.246 -2.952 -5.606 1.00 0.00 C ATOM 636 C GLY A 51 0.970 -3.538 -4.395 1.00 0.00 C ATOM 637 O GLY A 51 0.407 -4.289 -3.625 1.00 0.00 O ATOM 0 H GLY A 51 -1.477 -3.864 -4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.720 -3.293 -6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.318 -1.864 -5.594 1.00 0.00 H new ATOM 641 N TYR A 52 2.219 -3.199 -4.229 1.00 0.00 N ATOM 642 CA TYR A 52 3.008 -3.731 -3.075 1.00 0.00 C ATOM 643 C TYR A 52 3.957 -2.662 -2.544 1.00 0.00 C ATOM 644 O TYR A 52 4.219 -1.663 -3.186 1.00 0.00 O ATOM 645 CB TYR A 52 3.810 -4.957 -3.514 1.00 0.00 C ATOM 646 CG TYR A 52 4.511 -4.681 -4.822 1.00 0.00 C ATOM 647 CD1 TYR A 52 3.819 -4.852 -6.029 1.00 0.00 C ATOM 648 CD2 TYR A 52 5.848 -4.272 -4.834 1.00 0.00 C ATOM 649 CE1 TYR A 52 4.466 -4.610 -7.246 1.00 0.00 C ATOM 650 CE2 TYR A 52 6.494 -4.029 -6.053 1.00 0.00 C ATOM 651 CZ TYR A 52 5.804 -4.200 -7.258 1.00 0.00 C ATOM 652 OH TYR A 52 6.443 -3.963 -8.458 1.00 0.00 O ATOM 0 H TYR A 52 2.733 -2.571 -4.847 1.00 0.00 H new ATOM 0 HA TYR A 52 2.317 -4.016 -2.282 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.542 -5.215 -2.748 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.146 -5.815 -3.623 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.787 -5.170 -6.020 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.382 -4.144 -3.904 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.933 -4.740 -8.176 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.526 -3.709 -6.063 1.00 0.00 H new ATOM 0 HH TYR A 52 7.270 -3.464 -8.295 1.00 0.00 H new ATOM 662 N ILE A 53 4.460 -2.878 -1.358 1.00 0.00 N ATOM 663 CA ILE A 53 5.392 -1.893 -0.720 1.00 0.00 C ATOM 664 C ILE A 53 6.749 -2.542 -0.457 1.00 0.00 C ATOM 665 O ILE A 53 6.901 -3.746 -0.498 1.00 0.00 O ATOM 666 CB ILE A 53 4.791 -1.411 0.607 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.522 -2.607 1.536 1.00 0.00 C ATOM 668 CG2 ILE A 53 3.481 -0.673 0.333 1.00 0.00 C ATOM 669 CD1 ILE A 53 4.051 -2.100 2.902 1.00 0.00 C ATOM 0 H ILE A 53 4.264 -3.705 -0.794 1.00 0.00 H new ATOM 0 HA ILE A 53 5.530 -1.047 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 53 5.498 -0.739 1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.766 -3.258 1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.428 -3.203 1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.053 -0.330 1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.674 0.185 -0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.780 -1.347 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.861 -2.949 3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.822 -1.467 3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.134 -1.523 2.780 1.00 0.00 H new ATOM 681 N ASN A 54 7.732 -1.726 -0.202 1.00 0.00 N ATOM 682 CA ASN A 54 9.112 -2.229 0.065 1.00 0.00 C ATOM 683 C ASN A 54 9.602 -3.053 -1.129 1.00 0.00 C ATOM 684 O ASN A 54 10.335 -4.013 -0.982 1.00 0.00 O ATOM 685 CB ASN A 54 9.121 -3.078 1.340 1.00 0.00 C ATOM 686 CG ASN A 54 8.904 -2.171 2.556 1.00 0.00 C ATOM 687 OD1 ASN A 54 9.796 -1.454 2.962 1.00 0.00 O ATOM 688 ND2 ASN A 54 7.742 -2.168 3.152 1.00 0.00 N ATOM 0 H ASN A 54 7.637 -0.711 -0.166 1.00 0.00 H new ATOM 0 HA ASN A 54 9.783 -1.382 0.207 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.338 -3.834 1.292 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.070 -3.607 1.431 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.584 -1.564 3.958 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.993 -2.770 2.811 1.00 0.00 H new ATOM 695 N ASN A 55 9.205 -2.665 -2.310 1.00 0.00 N ATOM 696 CA ASN A 55 9.632 -3.393 -3.542 1.00 0.00 C ATOM 697 C ASN A 55 9.494 -4.899 -3.323 1.00 0.00 C ATOM 698 O ASN A 55 10.093 -5.698 -4.014 1.00 0.00 O ATOM 699 CB ASN A 55 11.088 -3.043 -3.863 1.00 0.00 C ATOM 700 CG ASN A 55 11.408 -3.445 -5.306 1.00 0.00 C ATOM 701 OD1 ASN A 55 11.672 -4.596 -5.583 1.00 0.00 O ATOM 702 ND2 ASN A 55 11.391 -2.534 -6.241 1.00 0.00 N ATOM 0 H ASN A 55 8.595 -1.865 -2.477 1.00 0.00 H new ATOM 0 HA ASN A 55 8.999 -3.096 -4.378 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.254 -1.974 -3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.757 -3.559 -3.174 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.600 -2.790 -7.206 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.169 -1.567 -6.006 1.00 0.00 H new ATOM 709 N ASP A 56 8.692 -5.289 -2.367 1.00 0.00 N ATOM 710 CA ASP A 56 8.489 -6.745 -2.084 1.00 0.00 C ATOM 711 C ASP A 56 7.153 -7.192 -2.678 1.00 0.00 C ATOM 712 O ASP A 56 6.093 -6.836 -2.200 1.00 0.00 O ATOM 713 CB ASP A 56 8.492 -6.975 -0.572 1.00 0.00 C ATOM 714 CG ASP A 56 9.918 -6.823 -0.039 1.00 0.00 C ATOM 715 OD1 ASP A 56 10.834 -6.808 -0.846 1.00 0.00 O ATOM 716 OD2 ASP A 56 10.072 -6.726 1.167 1.00 0.00 O ATOM 0 H ASP A 56 8.164 -4.658 -1.764 1.00 0.00 H new ATOM 0 HA ASP A 56 9.295 -7.325 -2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.831 -6.260 -0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.110 -7.970 -0.343 1.00 0.00 H new ATOM 721 N LYS A 57 7.211 -7.978 -3.713 1.00 0.00 N ATOM 722 CA LYS A 57 5.969 -8.470 -4.379 1.00 0.00 C ATOM 723 C LYS A 57 5.093 -9.215 -3.366 1.00 0.00 C ATOM 724 O LYS A 57 3.881 -9.194 -3.445 1.00 0.00 O ATOM 725 CB LYS A 57 6.352 -9.429 -5.515 1.00 0.00 C ATOM 726 CG LYS A 57 7.064 -8.655 -6.631 1.00 0.00 C ATOM 727 CD LYS A 57 7.416 -9.608 -7.779 1.00 0.00 C ATOM 728 CE LYS A 57 8.057 -8.819 -8.925 1.00 0.00 C ATOM 729 NZ LYS A 57 9.325 -8.195 -8.451 1.00 0.00 N ATOM 0 H LYS A 57 8.079 -8.308 -4.135 1.00 0.00 H new ATOM 0 HA LYS A 57 5.415 -7.621 -4.778 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.002 -10.217 -5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.460 -9.915 -5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.423 -7.852 -6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.969 -8.189 -6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.101 -10.379 -7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.518 -10.116 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.258 -9.480 -9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.371 -8.050 -9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.907 -7.926 -9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.106 -7.348 -7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.848 -8.875 -7.863 1.00 0.00 H new ATOM 743 N ASN A 58 5.699 -9.879 -2.423 1.00 0.00 N ATOM 744 CA ASN A 58 4.910 -10.641 -1.407 1.00 0.00 C ATOM 745 C ASN A 58 4.025 -9.680 -0.602 1.00 0.00 C ATOM 746 O ASN A 58 2.897 -9.992 -0.274 1.00 0.00 O ATOM 747 CB ASN A 58 5.872 -11.354 -0.446 1.00 0.00 C ATOM 748 CG ASN A 58 6.466 -12.591 -1.126 1.00 0.00 C ATOM 749 OD1 ASN A 58 7.619 -12.917 -0.918 1.00 0.00 O ATOM 750 ND2 ASN A 58 5.723 -13.306 -1.925 1.00 0.00 N ATOM 0 H ASN A 58 6.711 -9.929 -2.309 1.00 0.00 H new ATOM 0 HA ASN A 58 4.282 -11.371 -1.919 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.670 -10.675 -0.146 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.344 -11.646 0.462 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.109 -14.137 -2.374 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.756 -13.035 -2.101 1.00 0.00 H new ATOM 757 N LEU A 59 4.531 -8.523 -0.273 1.00 0.00 N ATOM 758 CA LEU A 59 3.722 -7.553 0.529 1.00 0.00 C ATOM 759 C LEU A 59 2.765 -6.797 -0.394 1.00 0.00 C ATOM 760 O LEU A 59 2.933 -5.619 -0.662 1.00 0.00 O ATOM 761 CB LEU A 59 4.660 -6.562 1.227 1.00 0.00 C ATOM 762 CG LEU A 59 5.694 -7.329 2.066 1.00 0.00 C ATOM 763 CD1 LEU A 59 6.646 -6.332 2.735 1.00 0.00 C ATOM 764 CD2 LEU A 59 4.980 -8.159 3.146 1.00 0.00 C ATOM 0 H LEU A 59 5.467 -8.205 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 59 3.144 -8.093 1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.166 -5.942 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.085 -5.891 1.865 1.00 0.00 H new ATOM 0 HG LEU A 59 6.259 -7.997 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.380 -6.874 3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.158 -5.749 1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.077 -5.663 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.719 -8.700 3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.410 -7.496 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.304 -8.870 2.671 1.00 0.00 H new ATOM 776 N SER A 60 1.759 -7.480 -0.878 1.00 0.00 N ATOM 777 CA SER A 60 0.766 -6.838 -1.792 1.00 0.00 C ATOM 778 C SER A 60 -0.396 -6.248 -0.991 1.00 0.00 C ATOM 779 O SER A 60 -0.631 -6.602 0.147 1.00 0.00 O ATOM 780 CB SER A 60 0.224 -7.881 -2.770 1.00 0.00 C ATOM 781 OG SER A 60 -0.195 -9.037 -2.053 1.00 0.00 O ATOM 0 H SER A 60 1.582 -8.464 -0.677 1.00 0.00 H new ATOM 0 HA SER A 60 1.262 -6.037 -2.339 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.613 -7.467 -3.332 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.993 -8.149 -3.494 1.00 0.00 H new ATOM 0 HG SER A 60 -0.544 -9.703 -2.681 1.00 0.00 H new ATOM 787 N PHE A 61 -1.131 -5.356 -1.598 1.00 0.00 N ATOM 788 CA PHE A 61 -2.295 -4.729 -0.906 1.00 0.00 C ATOM 789 C PHE A 61 -3.371 -4.373 -1.930 1.00 0.00 C ATOM 790 O PHE A 61 -3.089 -4.136 -3.095 1.00 0.00 O ATOM 791 CB PHE A 61 -1.850 -3.459 -0.172 1.00 0.00 C ATOM 792 CG PHE A 61 -1.358 -2.419 -1.159 1.00 0.00 C ATOM 793 CD1 PHE A 61 -2.265 -1.544 -1.770 1.00 0.00 C ATOM 794 CD2 PHE A 61 0.010 -2.320 -1.448 1.00 0.00 C ATOM 795 CE1 PHE A 61 -1.807 -0.574 -2.671 1.00 0.00 C ATOM 796 CE2 PHE A 61 0.468 -1.350 -2.352 1.00 0.00 C ATOM 797 CZ PHE A 61 -0.442 -0.477 -2.962 1.00 0.00 C ATOM 0 H PHE A 61 -0.974 -5.032 -2.552 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.699 -5.437 -0.183 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.682 -3.056 0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.057 -3.700 0.536 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.319 -1.617 -1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.712 -2.991 -0.975 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.508 0.099 -3.141 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.522 -1.276 -2.578 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.090 0.271 -3.657 1.00 0.00 H new ATOM 807 N THR A 62 -4.608 -4.344 -1.496 1.00 0.00 N ATOM 808 CA THR A 62 -5.739 -4.013 -2.421 1.00 0.00 C ATOM 809 C THR A 62 -6.638 -2.948 -1.794 1.00 0.00 C ATOM 810 O THR A 62 -6.989 -3.015 -0.634 1.00 0.00 O ATOM 811 CB THR A 62 -6.562 -5.272 -2.692 1.00 0.00 C ATOM 812 OG1 THR A 62 -5.715 -6.273 -3.236 1.00 0.00 O ATOM 813 CG2 THR A 62 -7.677 -4.947 -3.689 1.00 0.00 C ATOM 0 H THR A 62 -4.885 -4.537 -0.533 1.00 0.00 H new ATOM 0 HA THR A 62 -5.330 -3.630 -3.356 1.00 0.00 H new ATOM 0 HB THR A 62 -7.003 -5.631 -1.762 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.237 -7.084 -3.411 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.265 -5.844 -3.883 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.323 -4.173 -3.273 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.239 -4.592 -4.622 1.00 0.00 H new ATOM 821 N ALA A 63 -7.012 -1.970 -2.570 1.00 0.00 N ATOM 822 CA ALA A 63 -7.896 -0.878 -2.059 1.00 0.00 C ATOM 823 C ALA A 63 -8.933 -0.526 -3.126 1.00 0.00 C ATOM 824 O ALA A 63 -8.679 -0.603 -4.312 1.00 0.00 O ATOM 825 CB ALA A 63 -7.054 0.356 -1.740 1.00 0.00 C ATOM 0 H ALA A 63 -6.741 -1.877 -3.549 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.402 -1.213 -1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.700 1.151 -1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.313 0.105 -0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.547 0.694 -2.644 1.00 0.00 H new ATOM 831 N GLY A 64 -10.110 -0.159 -2.696 1.00 0.00 N ATOM 832 CA GLY A 64 -11.210 0.188 -3.651 1.00 0.00 C ATOM 833 C GLY A 64 -11.492 1.696 -3.634 1.00 0.00 C ATOM 834 O GLY A 64 -10.648 2.510 -3.300 1.00 0.00 O ATOM 0 H GLY A 64 -10.362 -0.083 -1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.934 -0.123 -4.659 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.115 -0.359 -3.385 1.00 0.00 H new ATOM 838 N LYS A 65 -12.686 2.060 -4.011 1.00 0.00 N ATOM 839 CA LYS A 65 -13.071 3.501 -4.054 1.00 0.00 C ATOM 840 C LYS A 65 -13.027 4.112 -2.650 1.00 0.00 C ATOM 841 O LYS A 65 -13.509 3.547 -1.687 1.00 0.00 O ATOM 842 CB LYS A 65 -14.489 3.626 -4.631 1.00 0.00 C ATOM 843 CG LYS A 65 -14.481 3.217 -6.111 1.00 0.00 C ATOM 844 CD LYS A 65 -15.895 3.335 -6.692 1.00 0.00 C ATOM 845 CE LYS A 65 -15.892 2.867 -8.150 1.00 0.00 C ATOM 846 NZ LYS A 65 -15.076 3.806 -8.975 1.00 0.00 N ATOM 0 H LYS A 65 -13.422 1.413 -4.295 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.365 4.040 -4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -15.177 2.992 -4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.845 4.651 -4.529 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.795 3.853 -6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.121 2.193 -6.213 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.591 2.733 -6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -16.239 4.368 -6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.484 1.858 -8.218 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -16.912 2.825 -8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.103 3.506 -9.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.464 4.767 -8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.092 3.799 -8.638 1.00 0.00 H new ATOM 860 N ASP A 66 -12.441 5.275 -2.543 1.00 0.00 N ATOM 861 CA ASP A 66 -12.336 5.967 -1.225 1.00 0.00 C ATOM 862 C ASP A 66 -11.759 5.002 -0.187 1.00 0.00 C ATOM 863 O ASP A 66 -12.049 5.089 0.992 1.00 0.00 O ATOM 864 CB ASP A 66 -13.717 6.457 -0.782 1.00 0.00 C ATOM 865 CG ASP A 66 -14.142 7.644 -1.655 1.00 0.00 C ATOM 866 OD1 ASP A 66 -13.291 8.193 -2.336 1.00 0.00 O ATOM 867 OD2 ASP A 66 -15.315 7.983 -1.627 1.00 0.00 O ATOM 0 H ASP A 66 -12.025 5.782 -3.324 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.674 6.828 -1.319 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -14.445 5.650 -0.866 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -13.690 6.754 0.266 1.00 0.00 H new ATOM 872 N VAL A 67 -10.940 4.083 -0.628 1.00 0.00 N ATOM 873 CA VAL A 67 -10.322 3.100 0.309 1.00 0.00 C ATOM 874 C VAL A 67 -11.406 2.502 1.208 1.00 0.00 C ATOM 875 O VAL A 67 -11.162 2.126 2.338 1.00 0.00 O ATOM 876 CB VAL A 67 -9.241 3.790 1.157 1.00 0.00 C ATOM 877 CG1 VAL A 67 -8.230 2.747 1.643 1.00 0.00 C ATOM 878 CG2 VAL A 67 -8.514 4.834 0.302 1.00 0.00 C ATOM 0 H VAL A 67 -10.671 3.971 -1.606 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.853 2.299 -0.262 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.708 4.275 2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.463 3.236 2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.742 1.998 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.764 2.264 0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.747 5.325 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.048 4.344 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.229 5.577 -0.051 1.00 0.00 H new ATOM 888 N LYS A 68 -12.600 2.404 0.699 1.00 0.00 N ATOM 889 CA LYS A 68 -13.713 1.825 1.496 1.00 0.00 C ATOM 890 C LYS A 68 -13.385 0.375 1.838 1.00 0.00 C ATOM 891 O LYS A 68 -13.565 -0.068 2.954 1.00 0.00 O ATOM 892 CB LYS A 68 -15.005 1.868 0.670 1.00 0.00 C ATOM 893 CG LYS A 68 -16.162 1.219 1.446 1.00 0.00 C ATOM 894 CD LYS A 68 -16.407 1.996 2.746 1.00 0.00 C ATOM 895 CE LYS A 68 -17.797 1.675 3.285 1.00 0.00 C ATOM 896 NZ LYS A 68 -17.849 0.245 3.698 1.00 0.00 N ATOM 0 H LYS A 68 -12.854 2.703 -0.243 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.844 2.400 2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -15.255 2.901 0.429 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.856 1.347 -0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.066 1.215 0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.925 0.179 1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.651 1.733 3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.316 3.067 2.563 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.028 2.319 4.134 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.550 1.872 2.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.739 0.062 4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.799 -0.362 2.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.046 0.035 4.324 1.00 0.00 H new ATOM 910 N ILE A 69 -12.915 -0.368 0.872 1.00 0.00 N ATOM 911 CA ILE A 69 -12.577 -1.805 1.108 1.00 0.00 C ATOM 912 C ILE A 69 -11.068 -1.985 1.005 1.00 0.00 C ATOM 913 O ILE A 69 -10.443 -1.571 0.047 1.00 0.00 O ATOM 914 CB ILE A 69 -13.270 -2.673 0.057 1.00 0.00 C ATOM 915 CG1 ILE A 69 -14.788 -2.552 0.224 1.00 0.00 C ATOM 916 CG2 ILE A 69 -12.849 -4.131 0.250 1.00 0.00 C ATOM 917 CD1 ILE A 69 -15.493 -3.209 -0.965 1.00 0.00 C ATOM 0 H ILE A 69 -12.749 -0.039 -0.079 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.915 -2.104 2.100 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.986 -2.341 -0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -15.100 -3.029 1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -15.073 -1.502 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.341 -4.754 -0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -11.768 -4.215 0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -13.138 -4.464 1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -16.572 -3.121 -0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -15.191 -2.712 -1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -15.218 -4.263 -1.014 1.00 0.00 H new ATOM 929 N PHE A 70 -10.482 -2.594 2.002 1.00 0.00 N ATOM 930 CA PHE A 70 -9.002 -2.808 2.005 1.00 0.00 C ATOM 931 C PHE A 70 -8.685 -4.244 2.426 1.00 0.00 C ATOM 932 O PHE A 70 -9.281 -4.789 3.335 1.00 0.00 O ATOM 933 CB PHE A 70 -8.352 -1.834 2.988 1.00 0.00 C ATOM 934 CG PHE A 70 -6.853 -2.006 2.943 1.00 0.00 C ATOM 935 CD1 PHE A 70 -6.120 -1.454 1.885 1.00 0.00 C ATOM 936 CD2 PHE A 70 -6.195 -2.720 3.952 1.00 0.00 C ATOM 937 CE1 PHE A 70 -4.731 -1.612 1.836 1.00 0.00 C ATOM 938 CE2 PHE A 70 -4.805 -2.878 3.903 1.00 0.00 C ATOM 939 CZ PHE A 70 -4.073 -2.326 2.845 1.00 0.00 C ATOM 0 H PHE A 70 -10.969 -2.956 2.822 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.611 -2.634 1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.620 -0.809 2.733 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.721 -2.018 3.997 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.628 -0.905 1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.759 -3.148 4.767 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.167 -1.184 1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.297 -3.426 4.682 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.001 -2.451 2.807 1.00 0.00 H new ATOM 949 N SER A 71 -7.740 -4.852 1.761 1.00 0.00 N ATOM 950 CA SER A 71 -7.346 -6.260 2.088 1.00 0.00 C ATOM 951 C SER A 71 -5.822 -6.350 2.174 1.00 0.00 C ATOM 952 O SER A 71 -5.101 -5.664 1.466 1.00 0.00 O ATOM 953 CB SER A 71 -7.855 -7.202 0.997 1.00 0.00 C ATOM 954 OG SER A 71 -7.667 -8.545 1.417 1.00 0.00 O ATOM 0 H SER A 71 -7.215 -4.430 0.995 1.00 0.00 H new ATOM 0 HA SER A 71 -7.783 -6.549 3.044 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.910 -7.014 0.800 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.320 -7.021 0.065 1.00 0.00 H new ATOM 0 HG SER A 71 -7.993 -9.154 0.722 1.00 0.00 H new ATOM 960 N SER A 72 -5.333 -7.193 3.049 1.00 0.00 N ATOM 961 CA SER A 72 -3.855 -7.349 3.229 1.00 0.00 C ATOM 962 C SER A 72 -3.486 -8.833 3.304 1.00 0.00 C ATOM 963 O SER A 72 -4.235 -9.656 3.795 1.00 0.00 O ATOM 964 CB SER A 72 -3.431 -6.662 4.527 1.00 0.00 C ATOM 965 OG SER A 72 -2.118 -7.075 4.872 1.00 0.00 O ATOM 0 H SER A 72 -5.901 -7.787 3.653 1.00 0.00 H new ATOM 0 HA SER A 72 -3.343 -6.895 2.380 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.463 -5.579 4.406 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.126 -6.914 5.328 1.00 0.00 H new ATOM 0 HG SER A 72 -1.838 -6.622 5.695 1.00 0.00 H new ATOM 971 N SER A 73 -2.328 -9.163 2.811 1.00 0.00 N ATOM 972 CA SER A 73 -1.861 -10.579 2.821 1.00 0.00 C ATOM 973 C SER A 73 -1.361 -10.962 4.213 1.00 0.00 C ATOM 974 O SER A 73 -1.274 -10.144 5.106 1.00 0.00 O ATOM 975 CB SER A 73 -0.726 -10.744 1.810 1.00 0.00 C ATOM 976 OG SER A 73 0.415 -10.018 2.255 1.00 0.00 O ATOM 0 H SER A 73 -1.673 -8.502 2.394 1.00 0.00 H new ATOM 0 HA SER A 73 -2.694 -11.230 2.553 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.477 -11.799 1.695 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.041 -10.383 0.831 1.00 0.00 H new ATOM 0 HG SER A 73 1.121 -10.646 2.515 1.00 0.00 H new ATOM 982 N GLU A 74 -1.040 -12.214 4.392 1.00 0.00 N ATOM 983 CA GLU A 74 -0.552 -12.695 5.719 1.00 0.00 C ATOM 984 C GLU A 74 0.702 -11.921 6.132 1.00 0.00 C ATOM 985 O GLU A 74 0.811 -11.440 7.242 1.00 0.00 O ATOM 986 CB GLU A 74 -0.206 -14.189 5.613 1.00 0.00 C ATOM 987 CG GLU A 74 0.221 -14.715 6.988 1.00 0.00 C ATOM 988 CD GLU A 74 0.495 -16.220 6.915 1.00 0.00 C ATOM 989 OE1 GLU A 74 0.570 -16.742 5.813 1.00 0.00 O ATOM 990 OE2 GLU A 74 0.626 -16.827 7.965 1.00 0.00 O ATOM 0 H GLU A 74 -1.095 -12.932 3.670 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.331 -12.539 6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.069 -14.748 5.250 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.596 -14.337 4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.115 -14.191 7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.561 -14.515 7.721 1.00 0.00 H new ATOM 997 N GLU A 75 1.650 -11.807 5.246 1.00 0.00 N ATOM 998 CA GLU A 75 2.914 -11.078 5.578 1.00 0.00 C ATOM 999 C GLU A 75 2.619 -9.588 5.769 1.00 0.00 C ATOM 1000 O GLU A 75 3.087 -8.960 6.699 1.00 0.00 O ATOM 1001 CB GLU A 75 3.914 -11.250 4.427 1.00 0.00 C ATOM 1002 CG GLU A 75 4.358 -12.722 4.335 1.00 0.00 C ATOM 1003 CD GLU A 75 3.318 -13.540 3.560 1.00 0.00 C ATOM 1004 OE1 GLU A 75 2.296 -12.981 3.203 1.00 0.00 O ATOM 1005 OE2 GLU A 75 3.582 -14.704 3.306 1.00 0.00 O ATOM 0 H GLU A 75 1.608 -12.188 4.301 1.00 0.00 H new ATOM 0 HA GLU A 75 3.333 -11.484 6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.457 -10.939 3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.781 -10.609 4.588 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.326 -12.787 3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.484 -13.135 5.336 1.00 0.00 H new ATOM 1012 N LEU A 76 1.848 -9.022 4.888 1.00 0.00 N ATOM 1013 CA LEU A 76 1.519 -7.575 4.998 1.00 0.00 C ATOM 1014 C LEU A 76 0.717 -7.331 6.280 1.00 0.00 C ATOM 1015 O LEU A 76 0.914 -6.355 6.977 1.00 0.00 O ATOM 1016 CB LEU A 76 0.693 -7.152 3.776 1.00 0.00 C ATOM 1017 CG LEU A 76 0.321 -5.664 3.875 1.00 0.00 C ATOM 1018 CD1 LEU A 76 1.595 -4.810 4.001 1.00 0.00 C ATOM 1019 CD2 LEU A 76 -0.448 -5.253 2.616 1.00 0.00 C ATOM 0 H LEU A 76 1.428 -9.501 4.091 1.00 0.00 H new ATOM 0 HA LEU A 76 2.437 -6.988 5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.262 -7.332 2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.212 -7.757 3.712 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.301 -5.505 4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.322 -3.757 4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.142 -5.103 4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.225 -4.964 3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.715 -4.198 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.177 -5.416 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.355 -5.852 2.532 1.00 0.00 H new ATOM 1031 N ASP A 77 -0.188 -8.220 6.588 1.00 0.00 N ATOM 1032 CA ASP A 77 -1.020 -8.063 7.818 1.00 0.00 C ATOM 1033 C ASP A 77 -0.102 -8.000 9.042 1.00 0.00 C ATOM 1034 O ASP A 77 -0.305 -7.215 9.947 1.00 0.00 O ATOM 1035 CB ASP A 77 -1.956 -9.272 7.939 1.00 0.00 C ATOM 1036 CG ASP A 77 -2.770 -9.177 9.231 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -2.735 -8.130 9.856 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -3.419 -10.154 9.572 1.00 0.00 O ATOM 0 H ASP A 77 -0.389 -9.055 6.037 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.607 -7.147 7.759 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.626 -9.311 7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.375 -10.194 7.933 1.00 0.00 H new ATOM 1043 N LYS A 78 0.913 -8.823 9.069 1.00 0.00 N ATOM 1044 CA LYS A 78 1.863 -8.825 10.224 1.00 0.00 C ATOM 1045 C LYS A 78 2.617 -7.488 10.281 1.00 0.00 C ATOM 1046 O LYS A 78 2.902 -6.970 11.342 1.00 0.00 O ATOM 1047 CB LYS A 78 2.865 -9.968 10.062 1.00 0.00 C ATOM 1048 CG LYS A 78 2.148 -11.309 10.251 1.00 0.00 C ATOM 1049 CD LYS A 78 3.113 -12.464 9.948 1.00 0.00 C ATOM 1050 CE LYS A 78 4.323 -12.397 10.885 1.00 0.00 C ATOM 1051 NZ LYS A 78 3.875 -12.014 12.254 1.00 0.00 N ATOM 0 H LYS A 78 1.127 -9.499 8.336 1.00 0.00 H new ATOM 0 HA LYS A 78 1.301 -8.961 11.148 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.324 -9.925 9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.668 -9.867 10.792 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.777 -11.392 11.272 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.282 -11.364 9.592 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.601 -13.418 10.070 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.443 -12.410 8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.827 -13.363 10.913 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.045 -11.671 10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.592 -12.305 12.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.746 -10.983 12.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.974 -12.486 12.469 1.00 0.00 H new ATOM 1065 N MET A 79 2.942 -6.930 9.146 1.00 0.00 N ATOM 1066 CA MET A 79 3.683 -5.628 9.132 1.00 0.00 C ATOM 1067 C MET A 79 2.820 -4.550 9.794 1.00 0.00 C ATOM 1068 O MET A 79 3.310 -3.693 10.503 1.00 0.00 O ATOM 1069 CB MET A 79 3.972 -5.220 7.680 1.00 0.00 C ATOM 1070 CG MET A 79 5.130 -6.056 7.128 1.00 0.00 C ATOM 1071 SD MET A 79 6.667 -5.587 7.964 1.00 0.00 S ATOM 1072 CE MET A 79 6.862 -3.947 7.214 1.00 0.00 C ATOM 0 H MET A 79 2.728 -7.316 8.227 1.00 0.00 H new ATOM 0 HA MET A 79 4.622 -5.736 9.676 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.082 -5.365 7.068 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.222 -4.160 7.633 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.931 -7.117 7.279 1.00 0.00 H new ATOM 0 HG3 MET A 79 5.226 -5.899 6.054 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.910 -3.649 7.258 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.537 -3.982 6.174 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.256 -3.223 7.759 1.00 0.00 H new ATOM 1082 N PHE A 80 1.538 -4.589 9.561 1.00 0.00 N ATOM 1083 CA PHE A 80 0.632 -3.567 10.165 1.00 0.00 C ATOM 1084 C PHE A 80 0.766 -3.600 11.684 1.00 0.00 C ATOM 1085 O PHE A 80 0.830 -4.647 12.295 1.00 0.00 O ATOM 1086 CB PHE A 80 -0.824 -3.879 9.769 1.00 0.00 C ATOM 1087 CG PHE A 80 -1.155 -3.206 8.456 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -0.334 -3.410 7.340 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -2.279 -2.377 8.355 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -0.637 -2.783 6.127 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -2.581 -1.752 7.143 1.00 0.00 C ATOM 1092 CZ PHE A 80 -1.761 -1.955 6.028 1.00 0.00 C ATOM 0 H PHE A 80 1.075 -5.286 8.977 1.00 0.00 H new ATOM 0 HA PHE A 80 0.905 -2.577 9.800 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.963 -4.956 9.681 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.504 -3.532 10.547 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.532 -4.051 7.416 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.913 -2.221 9.215 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.003 -2.938 5.266 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.448 -1.112 7.067 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.995 -1.473 5.091 1.00 0.00 H new ATOM 1102 N GLN A 81 0.800 -2.447 12.289 1.00 0.00 N ATOM 1103 CA GLN A 81 0.925 -2.366 13.773 1.00 0.00 C ATOM 1104 C GLN A 81 -0.405 -1.915 14.362 1.00 0.00 C ATOM 1105 O GLN A 81 -0.646 -2.056 15.542 1.00 0.00 O ATOM 1106 CB GLN A 81 2.008 -1.347 14.128 1.00 0.00 C ATOM 1107 CG GLN A 81 2.176 -1.299 15.646 1.00 0.00 C ATOM 1108 CD GLN A 81 3.408 -0.468 16.003 1.00 0.00 C ATOM 1109 OE1 GLN A 81 4.258 -0.230 15.170 1.00 0.00 O ATOM 1110 NE2 GLN A 81 3.541 -0.015 17.220 1.00 0.00 N ATOM 0 H GLN A 81 0.746 -1.546 11.814 1.00 0.00 H new ATOM 0 HA GLN A 81 1.192 -3.342 14.177 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.951 -1.621 13.654 1.00 0.00 H new ATOM 0 HB3 GLN A 81 1.735 -0.362 13.749 1.00 0.00 H new ATOM 0 HG2 GLN A 81 1.288 -0.866 16.106 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.280 -2.309 16.042 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.826 -0.215 17.920 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.360 0.539 17.471 1.00 0.00 H new ATOM 1119 N GLU A 82 -1.272 -1.369 13.543 1.00 0.00 N ATOM 1120 CA GLU A 82 -2.600 -0.898 14.050 1.00 0.00 C ATOM 1121 C GLU A 82 -3.724 -1.443 13.153 1.00 0.00 C ATOM 1122 O GLU A 82 -3.530 -1.674 11.974 1.00 0.00 O ATOM 1123 CB GLU A 82 -2.635 0.636 14.043 1.00 0.00 C ATOM 1124 CG GLU A 82 -1.899 1.167 12.812 1.00 0.00 C ATOM 1125 CD GLU A 82 -2.123 2.676 12.697 1.00 0.00 C ATOM 1126 OE1 GLU A 82 -3.264 3.096 12.819 1.00 0.00 O ATOM 1127 OE2 GLU A 82 -1.154 3.387 12.492 1.00 0.00 O ATOM 0 H GLU A 82 -1.117 -1.229 12.545 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.746 -1.261 15.067 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.668 0.985 14.039 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.171 1.023 14.950 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.833 0.951 12.891 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.260 0.665 11.914 1.00 0.00 H new ATOM 1134 N PRO A 83 -4.895 -1.638 13.712 1.00 0.00 N ATOM 1135 CA PRO A 83 -6.083 -2.155 12.964 1.00 0.00 C ATOM 1136 C PRO A 83 -6.622 -1.153 11.934 1.00 0.00 C ATOM 1137 O PRO A 83 -6.369 0.032 12.001 1.00 0.00 O ATOM 1138 CB PRO A 83 -7.124 -2.418 14.068 1.00 0.00 C ATOM 1139 CG PRO A 83 -6.733 -1.514 15.194 1.00 0.00 C ATOM 1140 CD PRO A 83 -5.216 -1.396 15.130 1.00 0.00 C ATOM 0 HA PRO A 83 -5.834 -3.041 12.380 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.133 -2.199 13.719 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.114 -3.463 14.379 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.205 -0.537 15.092 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.052 -1.924 16.152 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -4.879 -0.411 15.452 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -4.732 -2.126 15.778 1.00 0.00 H new ATOM 1148 N ARG A 84 -7.365 -1.644 10.979 1.00 0.00 N ATOM 1149 CA ARG A 84 -7.932 -0.762 9.927 1.00 0.00 C ATOM 1150 C ARG A 84 -8.962 0.186 10.538 1.00 0.00 C ATOM 1151 O ARG A 84 -9.836 -0.212 11.281 1.00 0.00 O ATOM 1152 CB ARG A 84 -8.601 -1.630 8.856 1.00 0.00 C ATOM 1153 CG ARG A 84 -9.135 -0.738 7.737 1.00 0.00 C ATOM 1154 CD ARG A 84 -9.803 -1.602 6.665 1.00 0.00 C ATOM 1155 NE ARG A 84 -10.211 -0.742 5.512 1.00 0.00 N ATOM 1156 CZ ARG A 84 -11.380 -0.153 5.497 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -12.212 -0.297 6.494 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -11.718 0.584 4.473 1.00 0.00 N ATOM 0 H ARG A 84 -7.604 -2.631 10.885 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.133 -0.171 9.479 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.885 -2.346 8.454 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.415 -2.206 9.296 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.852 -0.022 8.140 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.321 -0.161 7.298 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.115 -2.378 6.328 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.674 -2.107 7.081 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.571 -0.613 4.728 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.953 -0.873 7.295 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.120 0.167 6.471 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.073 0.698 3.691 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.627 1.046 4.455 1.00 0.00 H new ATOM 1172 N LYS A 85 -8.857 1.446 10.207 1.00 0.00 N ATOM 1173 CA LYS A 85 -9.813 2.470 10.735 1.00 0.00 C ATOM 1174 C LYS A 85 -10.555 3.120 9.564 1.00 0.00 C ATOM 1175 O LYS A 85 -11.724 2.879 9.346 1.00 0.00 O ATOM 1176 CB LYS A 85 -9.028 3.547 11.481 1.00 0.00 C ATOM 1177 CG LYS A 85 -8.415 2.947 12.746 1.00 0.00 C ATOM 1178 CD LYS A 85 -7.592 4.014 13.470 1.00 0.00 C ATOM 1179 CE LYS A 85 -6.934 3.401 14.708 1.00 0.00 C ATOM 1180 NZ LYS A 85 -7.985 3.024 15.694 1.00 0.00 N ATOM 0 H LYS A 85 -8.139 1.816 9.584 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.527 1.994 11.407 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.244 3.950 10.840 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -9.685 4.377 11.741 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.201 2.572 13.401 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.783 2.097 12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.830 4.416 12.802 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.232 4.847 13.761 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.352 2.523 14.427 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.240 4.113 15.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.548 2.865 16.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.684 3.791 15.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.458 2.152 15.381 1.00 0.00 H new ATOM 1194 N GLY A 86 -9.878 3.946 8.810 1.00 0.00 N ATOM 1195 CA GLY A 86 -10.540 4.617 7.651 1.00 0.00 C ATOM 1196 C GLY A 86 -9.705 5.814 7.186 1.00 0.00 C ATOM 1197 O GLY A 86 -8.905 6.357 7.922 1.00 0.00 O ATOM 0 H GLY A 86 -8.896 4.185 8.946 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.661 3.908 6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.538 4.949 7.935 1.00 0.00 H new ATOM 1201 N TYR A 87 -9.902 6.223 5.963 1.00 0.00 N ATOM 1202 CA TYR A 87 -9.146 7.388 5.409 1.00 0.00 C ATOM 1203 C TYR A 87 -9.485 8.651 6.211 1.00 0.00 C ATOM 1204 O TYR A 87 -8.625 9.435 6.573 1.00 0.00 O ATOM 1205 CB TYR A 87 -9.546 7.592 3.941 1.00 0.00 C ATOM 1206 CG TYR A 87 -8.857 8.820 3.397 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -7.479 8.796 3.153 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -9.593 9.983 3.137 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -6.836 9.935 2.654 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -8.950 11.121 2.636 1.00 0.00 C ATOM 1211 CZ TYR A 87 -7.571 11.097 2.395 1.00 0.00 C ATOM 1212 OH TYR A 87 -6.938 12.218 1.900 1.00 0.00 O ATOM 0 H TYR A 87 -10.563 5.796 5.314 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.075 7.196 5.477 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.270 6.717 3.353 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.627 7.703 3.860 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.912 7.898 3.350 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -10.657 10.002 3.323 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.772 9.917 2.469 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.518 12.018 2.435 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.594 12.936 1.776 1.00 0.00 H new ATOM 1222 N ASP A 88 -10.741 8.852 6.490 1.00 0.00 N ATOM 1223 CA ASP A 88 -11.152 10.057 7.270 1.00 0.00 C ATOM 1224 C ASP A 88 -10.752 9.870 8.736 1.00 0.00 C ATOM 1225 O ASP A 88 -10.587 10.822 9.472 1.00 0.00 O ATOM 1226 CB ASP A 88 -12.671 10.229 7.178 1.00 0.00 C ATOM 1227 CG ASP A 88 -13.055 10.682 5.768 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -12.171 11.110 5.044 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -14.226 10.596 5.437 1.00 0.00 O ATOM 0 H ASP A 88 -11.504 8.235 6.212 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.659 10.941 6.864 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.168 9.289 7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.009 10.962 7.910 1.00 0.00 H new ATOM 1234 N GLU A 89 -10.603 8.645 9.161 1.00 0.00 N ATOM 1235 CA GLU A 89 -10.220 8.376 10.581 1.00 0.00 C ATOM 1236 C GLU A 89 -8.769 8.813 10.816 1.00 0.00 C ATOM 1237 O GLU A 89 -8.449 9.456 11.795 1.00 0.00 O ATOM 1238 CB GLU A 89 -10.333 6.873 10.853 1.00 0.00 C ATOM 1239 CG GLU A 89 -11.784 6.416 10.682 1.00 0.00 C ATOM 1240 CD GLU A 89 -12.662 7.049 11.763 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -12.118 7.481 12.767 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -13.867 7.084 11.573 1.00 0.00 O ATOM 0 H GLU A 89 -10.730 7.813 8.584 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.882 8.931 11.246 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.687 6.322 10.169 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.990 6.651 11.864 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.149 6.698 9.694 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.842 5.329 10.745 1.00 0.00 H new ATOM 1249 N ILE A 90 -7.896 8.461 9.911 1.00 0.00 N ATOM 1250 CA ILE A 90 -6.457 8.838 10.050 1.00 0.00 C ATOM 1251 C ILE A 90 -6.311 10.355 9.927 1.00 0.00 C ATOM 1252 O ILE A 90 -5.489 10.968 10.581 1.00 0.00 O ATOM 1253 CB ILE A 90 -5.636 8.142 8.956 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -6.254 8.416 7.579 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -5.628 6.634 9.212 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -5.299 7.955 6.477 1.00 0.00 C ATOM 0 H ILE A 90 -8.119 7.923 9.073 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.090 8.522 11.027 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.617 8.529 8.975 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.207 7.894 7.488 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.462 9.480 7.470 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.046 6.136 8.437 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.182 6.433 10.186 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.651 6.257 9.196 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.745 8.153 5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.357 8.497 6.562 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.113 6.886 6.580 1.00 0.00 H new ATOM 1268 N LEU A 91 -7.100 10.959 9.083 1.00 0.00 N ATOM 1269 CA LEU A 91 -7.016 12.432 8.892 1.00 0.00 C ATOM 1270 C LEU A 91 -7.388 13.140 10.197 1.00 0.00 C ATOM 1271 O LEU A 91 -6.783 14.124 10.575 1.00 0.00 O ATOM 1272 CB LEU A 91 -7.991 12.846 7.781 1.00 0.00 C ATOM 1273 CG LEU A 91 -7.385 12.519 6.405 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -8.451 12.704 5.313 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -6.177 13.443 6.118 1.00 0.00 C ATOM 0 H LEU A 91 -7.805 10.491 8.513 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.000 12.712 8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.940 12.323 7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.204 13.913 7.850 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.043 11.484 6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.019 12.472 4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.290 12.035 5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.801 13.736 5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.758 13.201 5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.504 14.483 6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.417 13.297 6.885 1.00 0.00 H new ATOM 1287 N GLU A 92 -8.385 12.646 10.879 1.00 0.00 N ATOM 1288 CA GLU A 92 -8.814 13.284 12.160 1.00 0.00 C ATOM 1289 C GLU A 92 -7.726 13.089 13.222 1.00 0.00 C ATOM 1290 O GLU A 92 -7.411 13.987 13.979 1.00 0.00 O ATOM 1291 CB GLU A 92 -10.112 12.629 12.644 1.00 0.00 C ATOM 1292 CG GLU A 92 -10.618 13.361 13.891 1.00 0.00 C ATOM 1293 CD GLU A 92 -11.945 12.755 14.356 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -12.299 11.695 13.869 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -12.587 13.367 15.195 1.00 0.00 O ATOM 0 H GLU A 92 -8.924 11.825 10.604 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.977 14.349 11.996 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.866 12.665 11.857 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -9.939 11.577 12.872 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.878 13.291 14.688 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.750 14.420 13.671 1.00 0.00 H new