USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 706 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 62 SER OG : rot 140:sc= 0.124 USER MOD Set 1.2: A 71 SER OG : rot 124:sc= -0.088 USER MOD Set 2.1: A 17 SER OG : rot -160:sc= -1.02 USER MOD Set 2.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 43 ASN :FLIP amide:sc= -5.91! C(o=-6.4!,f=-4.9!) USER MOD Set 3.2: A 58 THR OG1 : rot -148:sc= 1.04 USER MOD Set 4.1: A 7 THR OG1 : rot -170:sc= 0 USER MOD Set 4.2: A 93 ASN : amide:sc= -1.03! C(o=-1!,f=-6.4!) USER MOD Single : A 10 ASN : amide:sc= -10! C(o=-10!,f=-18!) USER MOD Single : A 11 THR OG1 : rot 38:sc= -1.16 USER MOD Single : A 12 GLN : amide:sc=-0.00783 X(o=-0.0078,f=-0.36) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.002 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 60:sc= -1.24 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -3.04! C(o=-3!,f=-11!) USER MOD Single : A 40 HIS : no HD1:sc= -1.19 X(o=-1.2,f=-0.83) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -1.54 K(o=-1.5,f=-2.7!) USER MOD Single : A 53 SER OG : rot 180:sc= -2.6 USER MOD Single : A 54 ASN : amide:sc= -3.01! C(o=-3!,f=-5.2!) USER MOD Single : A 57 GLN : amide:sc= -0.043 K(o=-0.043,f=-1.3!) USER MOD Single : A 60 TYR OH : rot -41:sc= 1.84 USER MOD Single : A 61 ASN : amide:sc= -0.112 K(o=-0.11,f=-2.3!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 87:sc= 0.234 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0134 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 45:sc= 0.8 USER MOD Single : A 83 SER OG : rot -120:sc= 0.0641 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -4.95! C(o=-7.1!,f=-4.9!) USER MOD Single : A 89 SER OG : rot 180:sc= 0.116 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 150:sc= -0.483 (180deg=-1.03) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A 4 11.224 -4.835 -5.158 1.00 0.00 N ATOM 59 CA PHE A 4 12.010 -5.892 -5.797 1.00 0.00 C ATOM 60 C PHE A 4 13.469 -5.856 -5.338 1.00 0.00 C ATOM 61 O PHE A 4 14.090 -6.898 -5.138 1.00 0.00 O ATOM 62 CB PHE A 4 11.929 -5.768 -7.325 1.00 0.00 C ATOM 63 CG PHE A 4 12.817 -4.702 -7.908 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.410 -3.378 -7.930 1.00 0.00 C ATOM 65 CD2 PHE A 4 14.058 -5.027 -8.433 1.00 0.00 C ATOM 66 CE1 PHE A 4 13.224 -2.398 -8.465 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.876 -4.050 -8.970 1.00 0.00 C ATOM 68 CZ PHE A 4 14.458 -2.734 -8.985 1.00 0.00 C ATOM 0 HA PHE A 4 11.588 -6.851 -5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.193 -6.727 -7.770 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.897 -5.559 -7.607 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.446 -3.109 -7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.390 -6.055 -8.423 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.895 -1.369 -8.476 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.840 -4.316 -9.377 1.00 0.00 H new ATOM 0 HZ PHE A 4 15.095 -1.969 -9.403 1.00 0.00 H new ATOM 78 N ILE A 5 14.014 -4.653 -5.176 1.00 0.00 N ATOM 79 CA ILE A 5 15.401 -4.502 -4.747 1.00 0.00 C ATOM 80 C ILE A 5 15.609 -5.005 -3.320 1.00 0.00 C ATOM 81 O ILE A 5 16.743 -5.196 -2.881 1.00 0.00 O ATOM 82 CB ILE A 5 15.863 -3.030 -4.839 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.389 -2.941 -4.754 1.00 0.00 C ATOM 84 CG2 ILE A 5 15.219 -2.186 -3.744 1.00 0.00 C ATOM 85 CD1 ILE A 5 18.091 -3.325 -6.038 1.00 0.00 C ATOM 0 H ILE A 5 13.520 -3.775 -5.334 1.00 0.00 H new ATOM 0 HA ILE A 5 16.002 -5.108 -5.425 1.00 0.00 H new ATOM 0 HB ILE A 5 15.544 -2.635 -5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.671 -1.923 -4.486 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.738 -3.590 -3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.561 -1.155 -3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.135 -2.219 -3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.501 -2.580 -2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.169 -3.238 -5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.839 -4.354 -6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.771 -2.660 -6.840 1.00 0.00 H new ATOM 97 N GLU A 6 14.514 -5.235 -2.602 1.00 0.00 N ATOM 98 CA GLU A 6 14.598 -5.731 -1.233 1.00 0.00 C ATOM 99 C GLU A 6 14.902 -7.228 -1.214 1.00 0.00 C ATOM 100 O GLU A 6 15.489 -7.742 -0.261 1.00 0.00 O ATOM 101 CB GLU A 6 13.295 -5.449 -0.482 1.00 0.00 C ATOM 102 CG GLU A 6 12.905 -3.980 -0.477 1.00 0.00 C ATOM 103 CD GLU A 6 13.716 -3.164 0.511 1.00 0.00 C ATOM 104 OE1 GLU A 6 13.604 -3.422 1.728 1.00 0.00 O ATOM 105 OE2 GLU A 6 14.464 -2.268 0.067 1.00 0.00 O ATOM 0 H GLU A 6 13.564 -5.087 -2.943 1.00 0.00 H new ATOM 0 HA GLU A 6 15.413 -5.208 -0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.491 -6.029 -0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.396 -5.794 0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.039 -3.569 -1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.846 -3.890 -0.234 1.00 0.00 H new ATOM 112 N THR A 7 14.506 -7.921 -2.279 1.00 0.00 N ATOM 113 CA THR A 7 14.745 -9.356 -2.392 1.00 0.00 C ATOM 114 C THR A 7 15.627 -9.685 -3.598 1.00 0.00 C ATOM 115 O THR A 7 15.919 -10.851 -3.863 1.00 0.00 O ATOM 116 CB THR A 7 13.417 -10.106 -2.494 1.00 0.00 C ATOM 117 OG1 THR A 7 12.598 -9.543 -3.503 1.00 0.00 O ATOM 118 CG2 THR A 7 12.626 -10.099 -1.203 1.00 0.00 C ATOM 0 H THR A 7 14.018 -7.511 -3.076 1.00 0.00 H new ATOM 0 HA THR A 7 15.272 -9.677 -1.493 1.00 0.00 H new ATOM 0 HB THR A 7 13.684 -11.135 -2.733 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.699 -9.929 -3.448 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.695 -10.648 -1.344 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.211 -10.573 -0.415 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.402 -9.071 -0.919 1.00 0.00 H new ATOM 126 N CYS A 8 16.040 -8.658 -4.338 1.00 0.00 N ATOM 127 CA CYS A 8 16.875 -8.861 -5.512 1.00 0.00 C ATOM 128 C CYS A 8 18.276 -8.298 -5.292 1.00 0.00 C ATOM 129 O CYS A 8 18.471 -7.372 -4.505 1.00 0.00 O ATOM 130 CB CYS A 8 16.230 -8.219 -6.743 1.00 0.00 C ATOM 131 SG CYS A 8 14.569 -8.863 -7.134 1.00 0.00 S ATOM 0 H CYS A 8 15.810 -7.683 -4.144 1.00 0.00 H new ATOM 0 HA CYS A 8 16.964 -9.934 -5.682 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.163 -7.143 -6.585 1.00 0.00 H new ATOM 0 HB3 CYS A 8 16.880 -8.375 -7.604 1.00 0.00 H new ATOM 136 N ARG A 9 19.247 -8.867 -5.997 1.00 0.00 N ATOM 137 CA ARG A 9 20.634 -8.433 -5.883 1.00 0.00 C ATOM 138 C ARG A 9 21.261 -8.240 -7.260 1.00 0.00 C ATOM 139 O ARG A 9 20.652 -8.574 -8.277 1.00 0.00 O ATOM 140 CB ARG A 9 21.442 -9.457 -5.084 1.00 0.00 C ATOM 141 CG ARG A 9 21.200 -10.892 -5.521 1.00 0.00 C ATOM 142 CD ARG A 9 22.456 -11.736 -5.385 1.00 0.00 C ATOM 143 NE ARG A 9 22.340 -13.011 -6.090 1.00 0.00 N ATOM 144 CZ ARG A 9 23.199 -14.017 -5.946 1.00 0.00 C ATOM 145 NH1 ARG A 9 24.241 -13.898 -5.133 1.00 0.00 N ATOM 146 NH2 ARG A 9 23.016 -15.146 -6.618 1.00 0.00 N ATOM 0 H ARG A 9 19.099 -9.632 -6.655 1.00 0.00 H new ATOM 0 HA ARG A 9 20.648 -7.476 -5.361 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.503 -9.229 -5.184 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.193 -9.360 -4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.402 -11.327 -4.919 1.00 0.00 H new ATOM 0 HG3 ARG A 9 20.862 -10.906 -6.557 1.00 0.00 H new ATOM 0 HD2 ARG A 9 23.309 -11.182 -5.777 1.00 0.00 H new ATOM 0 HD3 ARG A 9 22.655 -11.922 -4.330 1.00 0.00 H new ATOM 0 HE ARG A 9 21.555 -13.137 -6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 9 24.387 -13.032 -4.614 1.00 0.00 H new ATOM 0 HH12 ARG A 9 24.896 -14.673 -5.027 1.00 0.00 H new ATOM 0 HH21 ARG A 9 22.217 -15.243 -7.245 1.00 0.00 H new ATOM 0 HH22 ARG A 9 23.674 -15.917 -6.508 1.00 0.00 H new ATOM 160 N ASN A 10 22.479 -7.698 -7.286 1.00 0.00 N ATOM 161 CA ASN A 10 23.207 -7.457 -8.532 1.00 0.00 C ATOM 162 C ASN A 10 22.351 -6.741 -9.575 1.00 0.00 C ATOM 163 O ASN A 10 22.165 -7.236 -10.687 1.00 0.00 O ATOM 164 CB ASN A 10 23.757 -8.771 -9.100 1.00 0.00 C ATOM 165 CG ASN A 10 22.670 -9.753 -9.483 1.00 0.00 C ATOM 166 OD1 ASN A 10 22.135 -10.463 -8.633 1.00 0.00 O ATOM 167 ND2 ASN A 10 22.341 -9.802 -10.768 1.00 0.00 N ATOM 0 H ASN A 10 22.987 -7.415 -6.448 1.00 0.00 H new ATOM 0 HA ASN A 10 24.041 -6.798 -8.292 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.368 -8.554 -9.976 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.412 -9.233 -8.362 1.00 0.00 H new ATOM 0 HD21 ASN A 10 21.618 -10.448 -11.085 1.00 0.00 H new ATOM 0 HD22 ASN A 10 22.811 -9.194 -11.438 1.00 0.00 H new ATOM 174 N THR A 11 21.850 -5.564 -9.216 1.00 0.00 N ATOM 175 CA THR A 11 21.044 -4.773 -10.134 1.00 0.00 C ATOM 176 C THR A 11 21.946 -4.039 -11.119 1.00 0.00 C ATOM 177 O THR A 11 22.928 -3.409 -10.726 1.00 0.00 O ATOM 178 CB THR A 11 20.169 -3.780 -9.369 1.00 0.00 C ATOM 179 OG1 THR A 11 20.910 -3.152 -8.338 1.00 0.00 O ATOM 180 CG2 THR A 11 18.952 -4.420 -8.736 1.00 0.00 C ATOM 0 H THR A 11 21.988 -5.139 -8.299 1.00 0.00 H new ATOM 0 HA THR A 11 20.389 -5.445 -10.688 1.00 0.00 H new ATOM 0 HB THR A 11 19.834 -3.056 -10.112 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.823 -2.979 -8.650 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.374 -3.661 -8.209 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.334 -4.873 -9.512 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.270 -5.188 -8.031 1.00 0.00 H new ATOM 188 N GLN A 12 21.612 -4.130 -12.398 1.00 0.00 N ATOM 189 CA GLN A 12 22.403 -3.479 -13.439 1.00 0.00 C ATOM 190 C GLN A 12 21.571 -3.213 -14.683 1.00 0.00 C ATOM 191 O GLN A 12 20.504 -3.797 -14.866 1.00 0.00 O ATOM 192 CB GLN A 12 23.628 -4.326 -13.793 1.00 0.00 C ATOM 193 CG GLN A 12 23.281 -5.666 -14.419 1.00 0.00 C ATOM 194 CD GLN A 12 24.265 -6.757 -14.043 1.00 0.00 C ATOM 195 OE1 GLN A 12 25.440 -6.492 -13.794 1.00 0.00 O ATOM 196 NE2 GLN A 12 23.786 -7.995 -14.000 1.00 0.00 N ATOM 0 H GLN A 12 20.802 -4.646 -12.742 1.00 0.00 H new ATOM 0 HA GLN A 12 22.739 -2.519 -13.047 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.260 -3.765 -14.482 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.214 -4.497 -12.890 1.00 0.00 H new ATOM 0 HG2 GLN A 12 22.280 -5.961 -14.105 1.00 0.00 H new ATOM 0 HG3 GLN A 12 23.257 -5.561 -15.504 1.00 0.00 H new ATOM 0 HE21 GLN A 12 22.804 -8.170 -14.214 1.00 0.00 H new ATOM 0 HE22 GLN A 12 24.400 -8.771 -13.753 1.00 0.00 H new ATOM 205 N LEU A 13 22.072 -2.331 -15.539 1.00 0.00 N ATOM 206 CA LEU A 13 21.374 -1.990 -16.767 1.00 0.00 C ATOM 207 C LEU A 13 21.929 -2.785 -17.933 1.00 0.00 C ATOM 208 O LEU A 13 23.143 -2.917 -18.093 1.00 0.00 O ATOM 209 CB LEU A 13 21.508 -0.500 -17.071 1.00 0.00 C ATOM 210 CG LEU A 13 20.818 -0.050 -18.363 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.670 0.891 -18.048 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.809 0.609 -19.316 1.00 0.00 C ATOM 0 H LEU A 13 22.957 -1.841 -15.404 1.00 0.00 H new ATOM 0 HA LEU A 13 20.321 -2.235 -16.628 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.094 0.067 -16.237 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.567 -0.249 -17.133 1.00 0.00 H new ATOM 0 HG LEU A 13 20.417 -0.934 -18.859 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.190 1.202 -18.976 1.00 0.00 H new ATOM 0 HD12 LEU A 13 18.943 0.380 -17.417 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.051 1.768 -17.525 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.291 0.918 -20.224 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.250 1.482 -18.835 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.596 -0.101 -19.571 1.00 0.00 H new ATOM 224 N ALA A 14 21.029 -3.305 -18.750 1.00 0.00 N ATOM 225 CA ALA A 14 21.403 -4.080 -19.916 1.00 0.00 C ATOM 226 C ALA A 14 20.863 -3.401 -21.164 1.00 0.00 C ATOM 227 O ALA A 14 19.786 -2.806 -21.130 1.00 0.00 O ATOM 228 CB ALA A 14 20.864 -5.498 -19.796 1.00 0.00 C ATOM 0 H ALA A 14 20.022 -3.201 -18.623 1.00 0.00 H new ATOM 0 HA ALA A 14 22.489 -4.136 -19.986 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.151 -6.072 -20.677 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.278 -5.970 -18.905 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.777 -5.469 -19.720 1.00 0.00 H new ATOM 234 N GLY A 15 21.609 -3.460 -22.256 1.00 0.00 N ATOM 235 CA GLY A 15 21.159 -2.811 -23.472 1.00 0.00 C ATOM 236 C GLY A 15 20.939 -1.326 -23.255 1.00 0.00 C ATOM 237 O GLY A 15 21.609 -0.715 -22.422 1.00 0.00 O ATOM 0 H GLY A 15 22.507 -3.939 -22.324 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.896 -2.960 -24.261 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.232 -3.272 -23.811 1.00 0.00 H new ATOM 241 N SER A 16 20.031 -0.731 -24.020 1.00 0.00 N ATOM 242 CA SER A 16 19.779 0.702 -23.906 1.00 0.00 C ATOM 243 C SER A 16 18.751 1.039 -22.829 1.00 0.00 C ATOM 244 O SER A 16 18.881 2.059 -22.152 1.00 0.00 O ATOM 245 CB SER A 16 19.278 1.249 -25.240 1.00 0.00 C ATOM 246 OG SER A 16 19.968 0.659 -26.328 1.00 0.00 O ATOM 0 H SER A 16 19.463 -1.211 -24.718 1.00 0.00 H new ATOM 0 HA SER A 16 20.726 1.162 -23.624 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.209 1.057 -25.337 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.411 2.331 -25.265 1.00 0.00 H new ATOM 0 HG SER A 16 19.626 1.026 -27.170 1.00 0.00 H new ATOM 252 N SER A 17 17.723 0.210 -22.671 1.00 0.00 N ATOM 253 CA SER A 17 16.697 0.490 -21.678 1.00 0.00 C ATOM 254 C SER A 17 16.221 -0.766 -20.950 1.00 0.00 C ATOM 255 O SER A 17 15.046 -0.878 -20.605 1.00 0.00 O ATOM 256 CB SER A 17 15.518 1.190 -22.353 1.00 0.00 C ATOM 257 OG SER A 17 15.260 0.637 -23.632 1.00 0.00 O ATOM 0 H SER A 17 17.581 -0.645 -23.208 1.00 0.00 H new ATOM 0 HA SER A 17 17.138 1.140 -20.922 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.630 1.098 -21.728 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.730 2.255 -22.450 1.00 0.00 H new ATOM 0 HG SER A 17 14.740 1.274 -24.165 1.00 0.00 H new ATOM 263 N GLU A 18 17.131 -1.703 -20.708 1.00 0.00 N ATOM 264 CA GLU A 18 16.782 -2.934 -20.002 1.00 0.00 C ATOM 265 C GLU A 18 17.495 -3.038 -18.663 1.00 0.00 C ATOM 266 O GLU A 18 18.627 -2.586 -18.511 1.00 0.00 O ATOM 267 CB GLU A 18 17.096 -4.169 -20.845 1.00 0.00 C ATOM 268 CG GLU A 18 16.026 -4.489 -21.868 1.00 0.00 C ATOM 269 CD GLU A 18 16.374 -3.994 -23.258 1.00 0.00 C ATOM 270 OE1 GLU A 18 17.218 -4.631 -23.922 1.00 0.00 O ATOM 271 OE2 GLU A 18 15.802 -2.967 -23.682 1.00 0.00 O ATOM 0 H GLU A 18 18.110 -1.637 -20.987 1.00 0.00 H new ATOM 0 HA GLU A 18 15.708 -2.894 -19.821 1.00 0.00 H new ATOM 0 HB2 GLU A 18 18.045 -4.017 -21.359 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.225 -5.027 -20.185 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.871 -5.568 -21.900 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.084 -4.041 -21.553 1.00 0.00 H new ATOM 278 N LEU A 19 16.822 -3.651 -17.698 1.00 0.00 N ATOM 279 CA LEU A 19 17.383 -3.845 -16.369 1.00 0.00 C ATOM 280 C LEU A 19 17.402 -5.332 -16.048 1.00 0.00 C ATOM 281 O LEU A 19 16.367 -5.998 -16.096 1.00 0.00 O ATOM 282 CB LEU A 19 16.564 -3.081 -15.320 1.00 0.00 C ATOM 283 CG LEU A 19 16.777 -3.521 -13.868 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.232 -3.349 -13.465 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.867 -2.736 -12.935 1.00 0.00 C ATOM 0 H LEU A 19 15.880 -4.025 -17.813 1.00 0.00 H new ATOM 0 HA LEU A 19 18.401 -3.456 -16.348 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.804 -2.021 -15.399 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.507 -3.187 -15.562 1.00 0.00 H new ATOM 0 HG LEU A 19 16.523 -4.578 -13.788 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.363 -3.667 -12.431 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.863 -3.956 -14.114 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.515 -2.301 -13.561 1.00 0.00 H new ATOM 0 HD21 LEU A 19 16.031 -3.061 -11.908 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.090 -1.672 -13.019 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.827 -2.911 -13.209 1.00 0.00 H new ATOM 297 N ALA A 20 18.570 -5.861 -15.715 1.00 0.00 N ATOM 298 CA ALA A 20 18.686 -7.268 -15.388 1.00 0.00 C ATOM 299 C ALA A 20 19.179 -7.435 -13.955 1.00 0.00 C ATOM 300 O ALA A 20 19.981 -6.640 -13.465 1.00 0.00 O ATOM 301 CB ALA A 20 19.605 -7.957 -16.383 1.00 0.00 C ATOM 0 H ALA A 20 19.444 -5.338 -15.665 1.00 0.00 H new ATOM 0 HA ALA A 20 17.706 -7.740 -15.457 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.687 -9.014 -16.131 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.195 -7.855 -17.388 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.592 -7.497 -16.345 1.00 0.00 H new ATOM 307 N ALA A 21 18.674 -8.459 -13.282 1.00 0.00 N ATOM 308 CA ALA A 21 19.038 -8.717 -11.895 1.00 0.00 C ATOM 309 C ALA A 21 18.711 -10.151 -11.498 1.00 0.00 C ATOM 310 O ALA A 21 18.045 -10.870 -12.240 1.00 0.00 O ATOM 311 CB ALA A 21 18.329 -7.732 -10.977 1.00 0.00 C ATOM 0 H ALA A 21 18.010 -9.126 -13.674 1.00 0.00 H new ATOM 0 HA ALA A 21 20.115 -8.582 -11.793 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.608 -7.933 -9.943 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.620 -6.715 -11.240 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.250 -7.841 -11.090 1.00 0.00 H new ATOM 317 N GLU A 22 19.140 -10.552 -10.307 1.00 0.00 N ATOM 318 CA GLU A 22 18.842 -11.884 -9.803 1.00 0.00 C ATOM 319 C GLU A 22 17.943 -11.754 -8.581 1.00 0.00 C ATOM 320 O GLU A 22 18.193 -10.924 -7.706 1.00 0.00 O ATOM 321 CB GLU A 22 20.123 -12.638 -9.441 1.00 0.00 C ATOM 322 CG GLU A 22 21.042 -12.885 -10.626 1.00 0.00 C ATOM 323 CD GLU A 22 22.507 -12.715 -10.274 1.00 0.00 C ATOM 324 OE1 GLU A 22 22.858 -12.896 -9.089 1.00 0.00 O ATOM 325 OE2 GLU A 22 23.303 -12.400 -11.183 1.00 0.00 O ATOM 0 H GLU A 22 19.694 -9.974 -9.675 1.00 0.00 H new ATOM 0 HA GLU A 22 18.335 -12.454 -10.581 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.665 -12.072 -8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.856 -13.595 -8.993 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.878 -13.894 -11.004 1.00 0.00 H new ATOM 0 HG3 GLU A 22 20.783 -12.197 -11.431 1.00 0.00 H new ATOM 332 N CYS A 23 16.888 -12.553 -8.515 1.00 0.00 N ATOM 333 CA CYS A 23 15.972 -12.472 -7.389 1.00 0.00 C ATOM 334 C CYS A 23 15.691 -13.840 -6.787 1.00 0.00 C ATOM 335 O CYS A 23 15.444 -14.813 -7.499 1.00 0.00 O ATOM 336 CB CYS A 23 14.666 -11.812 -7.824 1.00 0.00 C ATOM 337 SG CYS A 23 14.891 -10.195 -8.631 1.00 0.00 S ATOM 0 H CYS A 23 16.648 -13.254 -9.216 1.00 0.00 H new ATOM 0 HA CYS A 23 16.448 -11.865 -6.619 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.143 -12.480 -8.509 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.026 -11.686 -6.951 1.00 0.00 H new ATOM 342 N LYS A 24 15.747 -13.902 -5.464 1.00 0.00 N ATOM 343 CA LYS A 24 15.507 -15.143 -4.747 1.00 0.00 C ATOM 344 C LYS A 24 14.063 -15.608 -4.906 1.00 0.00 C ATOM 345 O LYS A 24 13.126 -14.814 -4.834 1.00 0.00 O ATOM 346 CB LYS A 24 15.845 -14.975 -3.264 1.00 0.00 C ATOM 347 CG LYS A 24 14.975 -13.951 -2.552 1.00 0.00 C ATOM 348 CD LYS A 24 14.608 -14.410 -1.151 1.00 0.00 C ATOM 349 CE LYS A 24 15.511 -13.780 -0.105 1.00 0.00 C ATOM 350 NZ LYS A 24 15.003 -14.008 1.275 1.00 0.00 N ATOM 0 H LYS A 24 15.957 -13.104 -4.865 1.00 0.00 H new ATOM 0 HA LYS A 24 16.156 -15.906 -5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.740 -15.938 -2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.890 -14.680 -3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.503 -12.999 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.067 -13.779 -3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.570 -14.150 -0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.683 -15.496 -1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.515 -14.194 -0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.590 -12.709 -0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.647 -13.563 1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.055 -13.591 1.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.952 -15.030 1.462 1.00 0.00 H new ATOM 364 N THR A 25 13.901 -16.909 -5.121 1.00 0.00 N ATOM 365 CA THR A 25 12.581 -17.503 -5.290 1.00 0.00 C ATOM 366 C THR A 25 11.972 -17.852 -3.938 1.00 0.00 C ATOM 367 O THR A 25 12.554 -17.562 -2.893 1.00 0.00 O ATOM 368 CB THR A 25 12.672 -18.754 -6.164 1.00 0.00 C ATOM 369 OG1 THR A 25 13.575 -19.691 -5.604 1.00 0.00 O ATOM 370 CG2 THR A 25 13.130 -18.462 -7.577 1.00 0.00 C ATOM 0 H THR A 25 14.672 -17.574 -5.182 1.00 0.00 H new ATOM 0 HA THR A 25 11.937 -16.774 -5.782 1.00 0.00 H new ATOM 0 HB THR A 25 11.660 -19.156 -6.203 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.619 -20.485 -6.176 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.173 -19.391 -8.145 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.427 -17.778 -8.053 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.120 -18.006 -7.552 1.00 0.00 H new ATOM 378 N ARG A 26 10.795 -18.470 -3.959 1.00 0.00 N ATOM 379 CA ARG A 26 10.114 -18.850 -2.727 1.00 0.00 C ATOM 380 C ARG A 26 10.932 -19.866 -1.934 1.00 0.00 C ATOM 381 O ARG A 26 10.852 -19.917 -0.706 1.00 0.00 O ATOM 382 CB ARG A 26 8.733 -19.427 -3.046 1.00 0.00 C ATOM 383 CG ARG A 26 7.868 -18.501 -3.885 1.00 0.00 C ATOM 384 CD ARG A 26 6.572 -19.178 -4.300 1.00 0.00 C ATOM 385 NE ARG A 26 5.532 -18.210 -4.640 1.00 0.00 N ATOM 386 CZ ARG A 26 4.353 -18.543 -5.159 1.00 0.00 C ATOM 387 NH1 ARG A 26 4.062 -19.816 -5.399 1.00 0.00 N ATOM 388 NH2 ARG A 26 3.462 -17.601 -5.437 1.00 0.00 N ATOM 0 H ARG A 26 10.295 -18.717 -4.813 1.00 0.00 H new ATOM 0 HA ARG A 26 9.999 -17.955 -2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.856 -20.373 -3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.216 -19.648 -2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.643 -17.598 -3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.419 -18.191 -4.773 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.759 -19.825 -5.157 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.221 -19.817 -3.490 1.00 0.00 H new ATOM 0 HE ARG A 26 5.721 -17.222 -4.470 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.744 -20.544 -5.185 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.157 -20.066 -5.797 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.681 -16.622 -5.253 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.558 -17.856 -5.835 1.00 0.00 H new ATOM 402 N ALA A 27 11.699 -20.690 -2.642 1.00 0.00 N ATOM 403 CA ALA A 27 12.510 -21.718 -2.000 1.00 0.00 C ATOM 404 C ALA A 27 13.830 -21.166 -1.462 1.00 0.00 C ATOM 405 O ALA A 27 14.711 -21.931 -1.070 1.00 0.00 O ATOM 406 CB ALA A 27 12.772 -22.860 -2.970 1.00 0.00 C ATOM 0 H ALA A 27 11.776 -20.666 -3.659 1.00 0.00 H new ATOM 0 HA ALA A 27 11.945 -22.089 -1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.378 -23.622 -2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.824 -23.297 -3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.302 -22.481 -3.844 1.00 0.00 H new ATOM 412 N GLN A 28 13.979 -19.842 -1.461 1.00 0.00 N ATOM 413 CA GLN A 28 15.208 -19.205 -0.992 1.00 0.00 C ATOM 414 C GLN A 28 16.385 -19.518 -1.913 1.00 0.00 C ATOM 415 O GLN A 28 17.521 -19.673 -1.464 1.00 0.00 O ATOM 416 CB GLN A 28 15.530 -19.659 0.435 1.00 0.00 C ATOM 417 CG GLN A 28 14.351 -19.546 1.389 1.00 0.00 C ATOM 418 CD GLN A 28 14.645 -18.651 2.577 1.00 0.00 C ATOM 419 OE1 GLN A 28 14.539 -17.428 2.489 1.00 0.00 O ATOM 420 NE2 GLN A 28 15.018 -19.258 3.698 1.00 0.00 N ATOM 0 H GLN A 28 13.263 -19.189 -1.780 1.00 0.00 H new ATOM 0 HA GLN A 28 15.047 -18.127 -1.001 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.869 -20.695 0.410 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.357 -19.062 0.820 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.488 -19.155 0.849 1.00 0.00 H new ATOM 0 HG3 GLN A 28 14.081 -20.540 1.746 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.093 -20.275 3.727 1.00 0.00 H new ATOM 0 HE22 GLN A 28 15.229 -18.707 4.530 1.00 0.00 H new ATOM 429 N GLN A 29 16.100 -19.562 -3.211 1.00 0.00 N ATOM 430 CA GLN A 29 17.120 -19.804 -4.227 1.00 0.00 C ATOM 431 C GLN A 29 17.218 -18.581 -5.134 1.00 0.00 C ATOM 432 O GLN A 29 16.200 -17.997 -5.494 1.00 0.00 O ATOM 433 CB GLN A 29 16.780 -21.052 -5.046 1.00 0.00 C ATOM 434 CG GLN A 29 16.701 -22.320 -4.211 1.00 0.00 C ATOM 435 CD GLN A 29 16.812 -23.580 -5.047 1.00 0.00 C ATOM 436 OE1 GLN A 29 16.469 -23.587 -6.229 1.00 0.00 O ATOM 437 NE2 GLN A 29 17.294 -24.657 -4.435 1.00 0.00 N ATOM 0 H GLN A 29 15.161 -19.432 -3.587 1.00 0.00 H new ATOM 0 HA GLN A 29 18.081 -19.975 -3.741 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.826 -20.898 -5.550 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.533 -21.184 -5.823 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.498 -22.311 -3.468 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.757 -22.333 -3.666 1.00 0.00 H new ATOM 0 HE21 GLN A 29 17.566 -24.607 -3.453 1.00 0.00 H new ATOM 0 HE22 GLN A 29 17.392 -25.534 -4.947 1.00 0.00 H new ATOM 446 N PHE A 30 18.435 -18.173 -5.482 1.00 0.00 N ATOM 447 CA PHE A 30 18.625 -16.991 -6.324 1.00 0.00 C ATOM 448 C PHE A 30 18.760 -17.360 -7.799 1.00 0.00 C ATOM 449 O PHE A 30 19.613 -18.165 -8.173 1.00 0.00 O ATOM 450 CB PHE A 30 19.869 -16.222 -5.876 1.00 0.00 C ATOM 451 CG PHE A 30 19.728 -15.589 -4.522 1.00 0.00 C ATOM 452 CD1 PHE A 30 19.677 -16.370 -3.378 1.00 0.00 C ATOM 453 CD2 PHE A 30 19.644 -14.212 -4.393 1.00 0.00 C ATOM 454 CE1 PHE A 30 19.547 -15.789 -2.131 1.00 0.00 C ATOM 455 CE2 PHE A 30 19.513 -13.625 -3.149 1.00 0.00 C ATOM 456 CZ PHE A 30 19.465 -14.415 -2.016 1.00 0.00 C ATOM 0 H PHE A 30 19.298 -18.637 -5.198 1.00 0.00 H new ATOM 0 HA PHE A 30 17.740 -16.364 -6.212 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.721 -16.901 -5.863 1.00 0.00 H new ATOM 0 HB3 PHE A 30 20.090 -15.447 -6.609 1.00 0.00 H new ATOM 0 HD1 PHE A 30 19.740 -17.445 -3.462 1.00 0.00 H new ATOM 0 HD2 PHE A 30 19.681 -13.590 -5.275 1.00 0.00 H new ATOM 0 HE1 PHE A 30 19.510 -16.409 -1.247 1.00 0.00 H new ATOM 0 HE2 PHE A 30 19.448 -12.550 -3.062 1.00 0.00 H new ATOM 0 HZ PHE A 30 19.364 -13.959 -1.042 1.00 0.00 H new ATOM 466 N VAL A 31 17.915 -16.760 -8.635 1.00 0.00 N ATOM 467 CA VAL A 31 17.945 -17.018 -10.069 1.00 0.00 C ATOM 468 C VAL A 31 17.947 -15.712 -10.860 1.00 0.00 C ATOM 469 O VAL A 31 17.441 -14.691 -10.395 1.00 0.00 O ATOM 470 CB VAL A 31 16.748 -17.877 -10.517 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.978 -19.338 -10.163 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.458 -17.366 -9.893 1.00 0.00 C ATOM 0 H VAL A 31 17.202 -16.092 -8.342 1.00 0.00 H new ATOM 0 HA VAL A 31 18.865 -17.566 -10.271 1.00 0.00 H new ATOM 0 HB VAL A 31 16.654 -17.799 -11.600 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.122 -19.930 -10.487 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.877 -19.696 -10.664 1.00 0.00 H new ATOM 0 HG13 VAL A 31 17.100 -19.436 -9.084 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.624 -17.986 -10.222 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.537 -17.410 -8.807 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.288 -16.335 -10.203 1.00 0.00 H new ATOM 482 N SER A 32 18.547 -15.744 -12.045 1.00 0.00 N ATOM 483 CA SER A 32 18.639 -14.554 -12.887 1.00 0.00 C ATOM 484 C SER A 32 17.289 -14.181 -13.494 1.00 0.00 C ATOM 485 O SER A 32 16.555 -15.035 -13.993 1.00 0.00 O ATOM 486 CB SER A 32 19.665 -14.773 -14.000 1.00 0.00 C ATOM 487 OG SER A 32 19.142 -15.608 -15.018 1.00 0.00 O ATOM 0 H SER A 32 18.976 -16.578 -12.445 1.00 0.00 H new ATOM 0 HA SER A 32 18.959 -13.728 -12.252 1.00 0.00 H new ATOM 0 HB2 SER A 32 19.955 -13.812 -14.426 1.00 0.00 H new ATOM 0 HB3 SER A 32 20.567 -15.222 -13.584 1.00 0.00 H new ATOM 0 HG SER A 32 19.816 -15.731 -15.718 1.00 0.00 H new ATOM 493 N THR A 33 16.983 -12.885 -13.454 1.00 0.00 N ATOM 494 CA THR A 33 15.737 -12.356 -13.999 1.00 0.00 C ATOM 495 C THR A 33 15.979 -10.993 -14.641 1.00 0.00 C ATOM 496 O THR A 33 16.991 -10.344 -14.374 1.00 0.00 O ATOM 497 CB THR A 33 14.673 -12.245 -12.903 1.00 0.00 C ATOM 498 OG1 THR A 33 13.538 -11.541 -13.377 1.00 0.00 O ATOM 499 CG2 THR A 33 15.161 -11.540 -11.656 1.00 0.00 C ATOM 0 H THR A 33 17.591 -12.176 -13.044 1.00 0.00 H new ATOM 0 HA THR A 33 15.374 -13.045 -14.762 1.00 0.00 H new ATOM 0 HB THR A 33 14.423 -13.273 -12.642 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.156 -12.016 -14.145 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.355 -11.498 -10.923 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.005 -12.086 -11.236 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.474 -10.527 -11.910 1.00 0.00 H new ATOM 507 N LYS A 34 15.060 -10.561 -15.496 1.00 0.00 N ATOM 508 CA LYS A 34 15.214 -9.284 -16.174 1.00 0.00 C ATOM 509 C LYS A 34 13.885 -8.552 -16.318 1.00 0.00 C ATOM 510 O LYS A 34 12.815 -9.160 -16.322 1.00 0.00 O ATOM 511 CB LYS A 34 15.831 -9.499 -17.558 1.00 0.00 C ATOM 512 CG LYS A 34 16.293 -8.215 -18.229 1.00 0.00 C ATOM 513 CD LYS A 34 16.651 -8.445 -19.689 1.00 0.00 C ATOM 514 CE LYS A 34 18.144 -8.670 -19.871 1.00 0.00 C ATOM 515 NZ LYS A 34 18.447 -9.399 -21.135 1.00 0.00 N ATOM 0 H LYS A 34 14.209 -11.071 -15.733 1.00 0.00 H new ATOM 0 HA LYS A 34 15.873 -8.667 -15.564 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.680 -10.176 -17.466 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.100 -9.991 -18.199 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.506 -7.464 -18.161 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.159 -7.818 -17.699 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.104 -9.309 -20.067 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.337 -7.585 -20.281 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.658 -7.709 -19.874 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.532 -9.236 -19.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.475 -9.532 -21.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.978 -10.327 -21.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.100 -8.847 -21.946 1.00 0.00 H new ATOM 529 N ILE A 35 13.979 -7.235 -16.453 1.00 0.00 N ATOM 530 CA ILE A 35 12.816 -6.377 -16.616 1.00 0.00 C ATOM 531 C ILE A 35 13.126 -5.324 -17.675 1.00 0.00 C ATOM 532 O ILE A 35 14.127 -4.615 -17.573 1.00 0.00 O ATOM 533 CB ILE A 35 12.443 -5.698 -15.281 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.156 -4.882 -15.421 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.585 -4.825 -14.788 1.00 0.00 C ATOM 536 CD1 ILE A 35 9.919 -5.634 -14.978 1.00 0.00 C ATOM 0 H ILE A 35 14.867 -6.732 -16.452 1.00 0.00 H new ATOM 0 HA ILE A 35 11.965 -6.981 -16.932 1.00 0.00 H new ATOM 0 HB ILE A 35 12.265 -6.479 -14.542 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.247 -3.969 -14.833 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.036 -4.581 -16.462 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.303 -4.355 -13.846 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.473 -5.439 -14.636 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.799 -4.054 -15.528 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.042 -4.998 -15.103 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.804 -6.534 -15.582 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.018 -5.912 -13.929 1.00 0.00 H new ATOM 548 N ASN A 36 12.288 -5.233 -18.706 1.00 0.00 N ATOM 549 CA ASN A 36 12.514 -4.278 -19.787 1.00 0.00 C ATOM 550 C ASN A 36 11.907 -2.918 -19.456 1.00 0.00 C ATOM 551 O ASN A 36 10.698 -2.800 -19.267 1.00 0.00 O ATOM 552 CB ASN A 36 11.903 -4.815 -21.082 1.00 0.00 C ATOM 553 CG ASN A 36 12.499 -4.161 -22.312 1.00 0.00 C ATOM 554 OD1 ASN A 36 13.088 -3.083 -22.230 1.00 0.00 O ATOM 555 ND2 ASN A 36 12.345 -4.807 -23.462 1.00 0.00 N ATOM 0 H ASN A 36 11.451 -5.806 -18.815 1.00 0.00 H new ATOM 0 HA ASN A 36 13.589 -4.149 -19.912 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.058 -5.893 -21.135 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.826 -4.648 -21.070 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.722 -4.412 -24.323 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.850 -5.698 -23.484 1.00 0.00 H new ATOM 562 N LEU A 37 12.749 -1.893 -19.392 1.00 0.00 N ATOM 563 CA LEU A 37 12.288 -0.542 -19.083 1.00 0.00 C ATOM 564 C LEU A 37 11.865 0.212 -20.345 1.00 0.00 C ATOM 565 O LEU A 37 11.220 1.256 -20.260 1.00 0.00 O ATOM 566 CB LEU A 37 13.383 0.237 -18.352 1.00 0.00 C ATOM 567 CG LEU A 37 13.909 -0.432 -17.081 1.00 0.00 C ATOM 568 CD1 LEU A 37 15.011 -1.426 -17.419 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.413 0.613 -16.096 1.00 0.00 C ATOM 0 H LEU A 37 13.754 -1.970 -19.550 1.00 0.00 H new ATOM 0 HA LEU A 37 11.415 -0.631 -18.437 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.217 0.391 -19.036 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.997 1.223 -18.093 1.00 0.00 H new ATOM 0 HG LEU A 37 13.088 -0.975 -16.613 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.374 -1.893 -16.503 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.617 -2.193 -18.086 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.833 -0.905 -17.911 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.783 0.118 -15.198 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.220 1.185 -16.554 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.597 1.285 -15.830 1.00 0.00 H new ATOM 581 N ASP A 38 12.266 -0.291 -21.511 1.00 0.00 N ATOM 582 CA ASP A 38 11.954 0.371 -22.775 1.00 0.00 C ATOM 583 C ASP A 38 10.444 0.551 -22.979 1.00 0.00 C ATOM 584 O ASP A 38 9.990 1.626 -23.371 1.00 0.00 O ATOM 585 CB ASP A 38 12.563 -0.411 -23.947 1.00 0.00 C ATOM 586 CG ASP A 38 11.677 -1.544 -24.435 1.00 0.00 C ATOM 587 OD1 ASP A 38 11.147 -2.292 -23.588 1.00 0.00 O ATOM 588 OD2 ASP A 38 11.512 -1.680 -25.665 1.00 0.00 O ATOM 0 H ASP A 38 12.805 -1.151 -21.606 1.00 0.00 H new ATOM 0 HA ASP A 38 12.395 1.367 -22.738 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.753 0.274 -24.773 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.527 -0.818 -23.642 1.00 0.00 H new ATOM 593 N ASP A 39 9.661 -0.488 -22.701 1.00 0.00 N ATOM 594 CA ASP A 39 8.206 -0.403 -22.851 1.00 0.00 C ATOM 595 C ASP A 39 7.546 0.032 -21.549 1.00 0.00 C ATOM 596 O ASP A 39 6.357 0.346 -21.524 1.00 0.00 O ATOM 597 CB ASP A 39 7.597 -1.728 -23.316 1.00 0.00 C ATOM 598 CG ASP A 39 8.295 -2.941 -22.729 1.00 0.00 C ATOM 599 OD1 ASP A 39 8.142 -3.183 -21.513 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.994 -3.647 -23.485 1.00 0.00 O ATOM 0 H ASP A 39 10.003 -1.392 -22.374 1.00 0.00 H new ATOM 0 HA ASP A 39 8.016 0.347 -23.619 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.543 -1.754 -23.040 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.643 -1.781 -24.404 1.00 0.00 H new ATOM 605 N HIS A 40 8.318 0.053 -20.466 1.00 0.00 N ATOM 606 CA HIS A 40 7.801 0.458 -19.164 1.00 0.00 C ATOM 607 C HIS A 40 8.151 1.917 -18.907 1.00 0.00 C ATOM 608 O HIS A 40 7.278 2.785 -18.894 1.00 0.00 O ATOM 609 CB HIS A 40 8.389 -0.427 -18.062 1.00 0.00 C ATOM 610 CG HIS A 40 7.606 -1.680 -17.824 1.00 0.00 C ATOM 611 ND1 HIS A 40 6.270 -1.678 -17.483 1.00 0.00 N ATOM 612 CD2 HIS A 40 7.972 -2.983 -17.893 1.00 0.00 C ATOM 613 CE1 HIS A 40 5.847 -2.923 -17.353 1.00 0.00 C ATOM 614 NE2 HIS A 40 6.860 -3.733 -17.598 1.00 0.00 N ATOM 0 H HIS A 40 9.305 -0.206 -20.465 1.00 0.00 H new ATOM 0 HA HIS A 40 6.717 0.343 -19.159 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.413 -0.692 -18.327 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.437 0.144 -17.135 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.954 -3.361 -18.135 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.844 -3.226 -17.091 1.00 0.00 H new ATOM 0 HE2 HIS A 40 6.823 -4.752 -17.572 1.00 0.00 H new ATOM 623 N ILE A 41 9.441 2.179 -18.723 1.00 0.00 N ATOM 624 CA ILE A 41 9.918 3.532 -18.492 1.00 0.00 C ATOM 625 C ILE A 41 9.987 4.301 -19.809 1.00 0.00 C ATOM 626 O ILE A 41 10.178 3.714 -20.872 1.00 0.00 O ATOM 627 CB ILE A 41 11.306 3.539 -17.810 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.209 2.958 -16.396 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.880 4.950 -17.761 1.00 0.00 C ATOM 630 CD1 ILE A 41 10.802 1.501 -16.360 1.00 0.00 C ATOM 0 H ILE A 41 10.173 1.469 -18.730 1.00 0.00 H new ATOM 0 HA ILE A 41 9.209 4.020 -17.822 1.00 0.00 H new ATOM 0 HB ILE A 41 11.977 2.916 -18.401 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.174 3.068 -15.901 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.488 3.541 -15.823 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.856 4.929 -17.277 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.986 5.335 -18.775 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.209 5.596 -17.196 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.755 1.162 -15.325 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.823 1.385 -16.825 1.00 0.00 H new ATOM 0 HD13 ILE A 41 11.535 0.905 -16.904 1.00 0.00 H new ATOM 642 N ALA A 42 9.809 5.612 -19.719 1.00 0.00 N ATOM 643 CA ALA A 42 9.832 6.478 -20.899 1.00 0.00 C ATOM 644 C ALA A 42 10.531 7.802 -20.620 1.00 0.00 C ATOM 645 O ALA A 42 10.890 8.107 -19.482 1.00 0.00 O ATOM 646 CB ALA A 42 8.416 6.738 -21.387 1.00 0.00 C ATOM 0 H ALA A 42 9.646 6.104 -18.840 1.00 0.00 H new ATOM 0 HA ALA A 42 10.397 5.958 -21.673 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.446 7.383 -22.265 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.942 5.792 -21.648 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.843 7.225 -20.598 1.00 0.00 H new ATOM 652 N ASN A 43 10.728 8.578 -21.682 1.00 0.00 N ATOM 653 CA ASN A 43 11.385 9.875 -21.585 1.00 0.00 C ATOM 654 C ASN A 43 10.382 10.992 -21.857 1.00 0.00 C ATOM 655 O ASN A 43 9.932 11.173 -22.988 1.00 0.00 O ATOM 656 CB ASN A 43 12.539 9.955 -22.586 1.00 0.00 C ATOM 657 CG ASN A 43 13.178 11.326 -22.632 1.00 0.00 C ATOM 658 OD1 ASN A 43 12.987 12.027 -23.743 1.00 0.00 O flip ATOM 659 ND2 ASN A 43 13.829 11.751 -21.679 1.00 0.00 N flip ATOM 0 H ASN A 43 10.439 8.327 -22.627 1.00 0.00 H new ATOM 0 HA ASN A 43 11.782 9.993 -20.577 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.295 9.215 -22.323 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.172 9.696 -23.579 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.948 11.175 -20.846 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.249 12.679 -21.722 1.00 0.00 H new ATOM 666 N ILE A 44 10.034 11.735 -20.813 1.00 0.00 N ATOM 667 CA ILE A 44 9.082 12.831 -20.941 1.00 0.00 C ATOM 668 C ILE A 44 9.768 14.187 -20.782 1.00 0.00 C ATOM 669 O ILE A 44 9.866 14.718 -19.676 1.00 0.00 O ATOM 670 CB ILE A 44 7.943 12.705 -19.909 1.00 0.00 C ATOM 671 CG1 ILE A 44 7.259 11.340 -20.032 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.932 13.828 -20.089 1.00 0.00 C ATOM 673 CD1 ILE A 44 6.518 11.144 -21.338 1.00 0.00 C ATOM 0 H ILE A 44 10.397 11.598 -19.869 1.00 0.00 H new ATOM 0 HA ILE A 44 8.659 12.768 -21.943 1.00 0.00 H new ATOM 0 HB ILE A 44 8.372 12.787 -18.910 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.010 10.557 -19.930 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.558 11.219 -19.206 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.136 13.722 -19.352 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.428 14.789 -19.952 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.507 13.778 -21.092 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.060 10.155 -21.352 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.743 11.904 -21.434 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.217 11.232 -22.170 1.00 0.00 H new ATOM 685 N ASP A 45 10.238 14.742 -21.898 1.00 0.00 N ATOM 686 CA ASP A 45 10.912 16.042 -21.892 1.00 0.00 C ATOM 687 C ASP A 45 12.256 15.965 -21.174 1.00 0.00 C ATOM 688 O ASP A 45 12.642 16.889 -20.457 1.00 0.00 O ATOM 689 CB ASP A 45 10.027 17.095 -21.220 1.00 0.00 C ATOM 690 CG ASP A 45 10.553 18.505 -21.412 1.00 0.00 C ATOM 691 OD1 ASP A 45 11.692 18.652 -21.905 1.00 0.00 O ATOM 692 OD2 ASP A 45 9.828 19.461 -21.068 1.00 0.00 O ATOM 0 H ASP A 45 10.165 14.312 -22.820 1.00 0.00 H new ATOM 0 HA ASP A 45 11.092 16.329 -22.928 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.018 17.029 -21.626 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.957 16.879 -20.154 1.00 0.00 H new ATOM 697 N GLY A 46 12.969 14.863 -21.375 1.00 0.00 N ATOM 698 CA GLY A 46 14.264 14.695 -20.742 1.00 0.00 C ATOM 699 C GLY A 46 14.162 14.157 -19.326 1.00 0.00 C ATOM 700 O GLY A 46 15.177 13.969 -18.656 1.00 0.00 O ATOM 0 H GLY A 46 12.674 14.084 -21.964 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.871 14.016 -21.341 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.782 15.654 -20.725 1.00 0.00 H new ATOM 704 N THR A 47 12.938 13.903 -18.868 1.00 0.00 N ATOM 705 CA THR A 47 12.722 13.384 -17.524 1.00 0.00 C ATOM 706 C THR A 47 12.179 11.961 -17.572 1.00 0.00 C ATOM 707 O THR A 47 11.319 11.640 -18.394 1.00 0.00 O ATOM 708 CB THR A 47 11.750 14.283 -16.760 1.00 0.00 C ATOM 709 OG1 THR A 47 12.004 15.647 -17.040 1.00 0.00 O ATOM 710 CG2 THR A 47 11.822 14.103 -15.259 1.00 0.00 C ATOM 0 H THR A 47 12.085 14.048 -19.408 1.00 0.00 H new ATOM 0 HA THR A 47 13.682 13.372 -17.007 1.00 0.00 H new ATOM 0 HB THR A 47 10.757 13.988 -17.099 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.371 16.206 -16.543 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.107 14.770 -14.778 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.583 13.070 -15.004 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.828 14.338 -14.912 1.00 0.00 H new ATOM 718 N LEU A 48 12.712 11.106 -16.710 1.00 0.00 N ATOM 719 CA LEU A 48 12.307 9.707 -16.685 1.00 0.00 C ATOM 720 C LEU A 48 10.961 9.533 -15.991 1.00 0.00 C ATOM 721 O LEU A 48 10.804 9.822 -14.805 1.00 0.00 O ATOM 722 CB LEU A 48 13.371 8.860 -15.984 1.00 0.00 C ATOM 723 CG LEU A 48 14.581 8.501 -16.849 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.797 8.221 -15.980 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.267 7.303 -17.731 1.00 0.00 C ATOM 0 H LEU A 48 13.423 11.355 -16.022 1.00 0.00 H new ATOM 0 HA LEU A 48 12.203 9.370 -17.716 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.720 9.398 -15.102 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.907 7.938 -15.633 1.00 0.00 H new ATOM 0 HG LEU A 48 14.809 9.352 -17.491 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.647 7.968 -16.614 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.035 9.107 -15.391 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.582 7.388 -15.311 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.138 7.061 -18.340 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.012 6.447 -17.105 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.425 7.541 -18.381 1.00 0.00 H new ATOM 737 N LYS A 49 9.998 9.050 -16.768 1.00 0.00 N ATOM 738 CA LYS A 49 8.646 8.813 -16.290 1.00 0.00 C ATOM 739 C LYS A 49 8.136 7.479 -16.828 1.00 0.00 C ATOM 740 O LYS A 49 8.693 6.938 -17.782 1.00 0.00 O ATOM 741 CB LYS A 49 7.722 9.956 -16.719 1.00 0.00 C ATOM 742 CG LYS A 49 8.248 11.333 -16.341 1.00 0.00 C ATOM 743 CD LYS A 49 7.118 12.330 -16.139 1.00 0.00 C ATOM 744 CE LYS A 49 7.645 13.685 -15.694 1.00 0.00 C ATOM 745 NZ LYS A 49 7.806 13.761 -14.215 1.00 0.00 N ATOM 0 H LYS A 49 10.136 8.812 -17.750 1.00 0.00 H new ATOM 0 HA LYS A 49 8.654 8.773 -15.201 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.581 9.913 -17.799 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.742 9.812 -16.263 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.836 11.259 -15.426 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.917 11.694 -17.122 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.560 12.443 -17.069 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.421 11.946 -15.394 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.605 13.876 -16.174 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.962 14.467 -16.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.167 14.700 -13.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.886 13.604 -13.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.478 13.032 -13.901 1.00 0.00 H new ATOM 759 N TRP A 50 7.083 6.948 -16.219 1.00 0.00 N ATOM 760 CA TRP A 50 6.527 5.668 -16.652 1.00 0.00 C ATOM 761 C TRP A 50 5.498 5.851 -17.766 1.00 0.00 C ATOM 762 O TRP A 50 4.504 6.558 -17.603 1.00 0.00 O ATOM 763 CB TRP A 50 5.906 4.931 -15.467 1.00 0.00 C ATOM 764 CG TRP A 50 6.944 4.315 -14.584 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.662 3.181 -14.831 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.398 4.812 -13.323 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.541 2.948 -13.803 1.00 0.00 N ATOM 768 CE2 TRP A 50 8.395 3.935 -12.864 1.00 0.00 C ATOM 769 CE3 TRP A 50 7.062 5.917 -12.540 1.00 0.00 C ATOM 770 CZ2 TRP A 50 9.056 4.128 -11.656 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.719 6.106 -11.341 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.707 5.216 -10.910 1.00 0.00 C ATOM 0 H TRP A 50 6.599 7.378 -15.431 1.00 0.00 H new ATOM 0 HA TRP A 50 7.344 5.068 -17.053 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.301 5.626 -14.885 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.235 4.154 -15.834 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.554 2.558 -15.707 1.00 0.00 H new ATOM 0 HE1 TRP A 50 9.196 2.168 -13.747 1.00 0.00 H new ATOM 0 HE3 TRP A 50 6.302 6.612 -12.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.819 3.441 -11.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.465 6.956 -10.725 1.00 0.00 H new ATOM 0 HH2 TRP A 50 9.204 5.393 -9.968 1.00 0.00 H new ATOM 783 N GLN A 51 5.758 5.208 -18.901 1.00 0.00 N ATOM 784 CA GLN A 51 4.875 5.290 -20.061 1.00 0.00 C ATOM 785 C GLN A 51 5.373 4.353 -21.160 1.00 0.00 C ATOM 786 O GLN A 51 6.578 4.192 -21.335 1.00 0.00 O ATOM 787 CB GLN A 51 4.828 6.735 -20.575 1.00 0.00 C ATOM 788 CG GLN A 51 4.048 6.914 -21.869 1.00 0.00 C ATOM 789 CD GLN A 51 2.615 7.349 -21.630 1.00 0.00 C ATOM 790 OE1 GLN A 51 1.908 6.769 -20.807 1.00 0.00 O ATOM 791 NE2 GLN A 51 2.181 8.377 -22.351 1.00 0.00 N ATOM 0 H GLN A 51 6.579 4.620 -19.043 1.00 0.00 H new ATOM 0 HA GLN A 51 3.869 4.986 -19.771 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.384 7.367 -19.806 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.848 7.087 -20.728 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.550 7.655 -22.492 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.051 5.976 -22.424 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.803 8.828 -23.022 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.226 8.715 -22.233 1.00 0.00 H new ATOM 800 N PRO A 52 4.455 3.708 -21.910 1.00 0.00 N ATOM 801 CA PRO A 52 4.833 2.778 -22.980 1.00 0.00 C ATOM 802 C PRO A 52 5.619 3.458 -24.095 1.00 0.00 C ATOM 803 O PRO A 52 5.138 3.611 -25.217 1.00 0.00 O ATOM 804 CB PRO A 52 3.498 2.245 -23.504 1.00 0.00 C ATOM 805 CG PRO A 52 2.481 3.243 -23.059 1.00 0.00 C ATOM 806 CD PRO A 52 2.993 3.815 -21.766 1.00 0.00 C ATOM 0 HA PRO A 52 5.492 1.993 -22.610 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.510 2.151 -24.590 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.283 1.256 -23.101 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.351 4.026 -23.806 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.508 2.771 -22.918 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.676 4.849 -21.629 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.630 3.253 -20.905 1.00 0.00 H new ATOM 814 N SER A 53 6.839 3.847 -23.764 1.00 0.00 N ATOM 815 CA SER A 53 7.741 4.499 -24.699 1.00 0.00 C ATOM 816 C SER A 53 9.164 4.372 -24.178 1.00 0.00 C ATOM 817 O SER A 53 9.409 4.553 -22.989 1.00 0.00 O ATOM 818 CB SER A 53 7.364 5.970 -24.884 1.00 0.00 C ATOM 819 OG SER A 53 6.974 6.557 -23.655 1.00 0.00 O ATOM 0 H SER A 53 7.234 3.718 -22.833 1.00 0.00 H new ATOM 0 HA SER A 53 7.664 4.015 -25.673 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.212 6.516 -25.298 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.550 6.052 -25.604 1.00 0.00 H new ATOM 0 HG SER A 53 6.740 7.497 -23.801 1.00 0.00 H new ATOM 825 N ASN A 54 10.090 4.018 -25.055 1.00 0.00 N ATOM 826 CA ASN A 54 11.481 3.826 -24.654 1.00 0.00 C ATOM 827 C ASN A 54 12.243 5.141 -24.590 1.00 0.00 C ATOM 828 O ASN A 54 12.573 5.736 -25.615 1.00 0.00 O ATOM 829 CB ASN A 54 12.199 2.869 -25.611 1.00 0.00 C ATOM 830 CG ASN A 54 11.269 1.855 -26.262 1.00 0.00 C ATOM 831 OD1 ASN A 54 10.146 1.637 -25.808 1.00 0.00 O ATOM 832 ND2 ASN A 54 11.738 1.228 -27.334 1.00 0.00 N ATOM 0 H ASN A 54 9.908 3.858 -26.046 1.00 0.00 H new ATOM 0 HA ASN A 54 11.461 3.393 -23.654 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.694 3.449 -26.390 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.979 2.338 -25.065 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.161 0.536 -27.813 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.675 1.438 -27.678 1.00 0.00 H new ATOM 839 N PHE A 55 12.545 5.571 -23.371 1.00 0.00 N ATOM 840 CA PHE A 55 13.299 6.798 -23.149 1.00 0.00 C ATOM 841 C PHE A 55 14.532 6.834 -24.053 1.00 0.00 C ATOM 842 O PHE A 55 14.978 7.896 -24.485 1.00 0.00 O ATOM 843 CB PHE A 55 13.720 6.896 -21.679 1.00 0.00 C ATOM 844 CG PHE A 55 14.425 5.669 -21.173 1.00 0.00 C ATOM 845 CD1 PHE A 55 13.703 4.605 -20.657 1.00 0.00 C ATOM 846 CD2 PHE A 55 15.806 5.577 -21.221 1.00 0.00 C ATOM 847 CE1 PHE A 55 14.345 3.472 -20.199 1.00 0.00 C ATOM 848 CE2 PHE A 55 16.454 4.446 -20.762 1.00 0.00 C ATOM 849 CZ PHE A 55 15.722 3.392 -20.252 1.00 0.00 C ATOM 0 H PHE A 55 12.277 5.084 -22.516 1.00 0.00 H new ATOM 0 HA PHE A 55 12.663 7.649 -23.393 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.374 7.759 -21.554 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.836 7.075 -21.067 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.625 4.663 -20.613 1.00 0.00 H new ATOM 0 HD2 PHE A 55 16.383 6.398 -21.621 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.771 2.649 -19.800 1.00 0.00 H new ATOM 0 HE2 PHE A 55 17.532 4.387 -20.802 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.226 2.506 -19.895 1.00 0.00 H new ATOM 859 N SER A 56 15.066 5.645 -24.337 1.00 0.00 N ATOM 860 CA SER A 56 16.252 5.487 -25.178 1.00 0.00 C ATOM 861 C SER A 56 16.174 6.291 -26.481 1.00 0.00 C ATOM 862 O SER A 56 17.188 6.492 -27.149 1.00 0.00 O ATOM 863 CB SER A 56 16.461 4.006 -25.500 1.00 0.00 C ATOM 864 OG SER A 56 15.295 3.437 -26.069 1.00 0.00 O ATOM 0 H SER A 56 14.687 4.764 -23.990 1.00 0.00 H new ATOM 0 HA SER A 56 17.098 5.878 -24.612 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.297 3.896 -26.190 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.725 3.467 -24.590 1.00 0.00 H new ATOM 0 HG SER A 56 15.456 2.491 -26.267 1.00 0.00 H new ATOM 870 N GLN A 57 14.975 6.739 -26.851 1.00 0.00 N ATOM 871 CA GLN A 57 14.796 7.501 -28.083 1.00 0.00 C ATOM 872 C GLN A 57 15.535 8.837 -28.024 1.00 0.00 C ATOM 873 O GLN A 57 15.932 9.379 -29.056 1.00 0.00 O ATOM 874 CB GLN A 57 13.307 7.740 -28.340 1.00 0.00 C ATOM 875 CG GLN A 57 12.538 6.471 -28.672 1.00 0.00 C ATOM 876 CD GLN A 57 12.774 5.999 -30.094 1.00 0.00 C ATOM 877 OE1 GLN A 57 13.110 6.790 -30.975 1.00 0.00 O ATOM 878 NE2 GLN A 57 12.599 4.703 -30.324 1.00 0.00 N ATOM 0 H GLN A 57 14.119 6.588 -26.318 1.00 0.00 H new ATOM 0 HA GLN A 57 15.217 6.918 -28.902 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.864 8.204 -27.459 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.197 8.448 -29.162 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.830 5.682 -27.979 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.473 6.647 -28.524 1.00 0.00 H new ATOM 0 HE21 GLN A 57 12.320 4.083 -29.563 1.00 0.00 H new ATOM 0 HE22 GLN A 57 12.744 4.327 -31.261 1.00 0.00 H new ATOM 887 N THR A 58 15.727 9.359 -26.817 1.00 0.00 N ATOM 888 CA THR A 58 16.430 10.628 -26.643 1.00 0.00 C ATOM 889 C THR A 58 17.464 10.541 -25.522 1.00 0.00 C ATOM 890 O THR A 58 18.068 11.548 -25.150 1.00 0.00 O ATOM 891 CB THR A 58 15.443 11.751 -26.320 1.00 0.00 C ATOM 892 OG1 THR A 58 15.097 11.725 -24.949 1.00 0.00 O ATOM 893 CG2 THR A 58 14.156 11.675 -27.111 1.00 0.00 C ATOM 0 H THR A 58 15.409 8.928 -25.949 1.00 0.00 H new ATOM 0 HA THR A 58 16.941 10.845 -27.581 1.00 0.00 H new ATOM 0 HB THR A 58 15.960 12.672 -26.590 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.173 12.032 -24.839 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.506 12.503 -26.829 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.379 11.736 -28.176 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.654 10.731 -26.899 1.00 0.00 H new ATOM 901 N CYS A 59 17.654 9.348 -24.964 1.00 0.00 N ATOM 902 CA CYS A 59 18.601 9.172 -23.872 1.00 0.00 C ATOM 903 C CYS A 59 19.762 8.271 -24.269 1.00 0.00 C ATOM 904 O CYS A 59 19.619 7.375 -25.101 1.00 0.00 O ATOM 905 CB CYS A 59 17.896 8.590 -22.646 1.00 0.00 C ATOM 906 SG CYS A 59 16.268 9.329 -22.305 1.00 0.00 S ATOM 0 H CYS A 59 17.169 8.497 -25.248 1.00 0.00 H new ATOM 0 HA CYS A 59 19.004 10.156 -23.630 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.773 7.516 -22.786 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.535 8.727 -21.774 1.00 0.00 H new ATOM 911 N TYR A 60 20.920 8.538 -23.674 1.00 0.00 N ATOM 912 CA TYR A 60 22.131 7.774 -23.946 1.00 0.00 C ATOM 913 C TYR A 60 22.939 7.604 -22.663 1.00 0.00 C ATOM 914 O TYR A 60 22.778 8.372 -21.712 1.00 0.00 O ATOM 915 CB TYR A 60 22.977 8.473 -25.014 1.00 0.00 C ATOM 916 CG TYR A 60 23.390 9.878 -24.633 1.00 0.00 C ATOM 917 CD1 TYR A 60 22.480 10.926 -24.683 1.00 0.00 C ATOM 918 CD2 TYR A 60 24.686 10.154 -24.219 1.00 0.00 C ATOM 919 CE1 TYR A 60 22.850 12.209 -24.331 1.00 0.00 C ATOM 920 CE2 TYR A 60 25.064 11.436 -23.865 1.00 0.00 C ATOM 921 CZ TYR A 60 24.143 12.459 -23.923 1.00 0.00 C ATOM 922 OH TYR A 60 24.514 13.736 -23.569 1.00 0.00 O ATOM 0 H TYR A 60 21.045 9.287 -22.993 1.00 0.00 H new ATOM 0 HA TYR A 60 21.847 6.790 -24.320 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.871 7.879 -25.204 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.414 8.509 -25.946 1.00 0.00 H new ATOM 0 HD1 TYR A 60 21.466 10.734 -25.002 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.411 9.355 -24.173 1.00 0.00 H new ATOM 0 HE1 TYR A 60 22.130 13.013 -24.375 1.00 0.00 H new ATOM 0 HE2 TYR A 60 26.076 11.634 -23.545 1.00 0.00 H new ATOM 0 HH TYR A 60 24.120 14.377 -24.197 1.00 0.00 H new ATOM 932 N ASN A 61 23.791 6.584 -22.632 1.00 0.00 N ATOM 933 CA ASN A 61 24.613 6.308 -21.458 1.00 0.00 C ATOM 934 C ASN A 61 23.744 5.955 -20.254 1.00 0.00 C ATOM 935 O ASN A 61 23.952 6.463 -19.151 1.00 0.00 O ATOM 936 CB ASN A 61 25.498 7.513 -21.135 1.00 0.00 C ATOM 937 CG ASN A 61 26.510 7.793 -22.229 1.00 0.00 C ATOM 938 OD1 ASN A 61 26.427 7.236 -23.324 1.00 0.00 O ATOM 939 ND2 ASN A 61 27.472 8.660 -21.939 1.00 0.00 N ATOM 0 H ASN A 61 23.930 5.935 -23.406 1.00 0.00 H new ATOM 0 HA ASN A 61 25.249 5.452 -21.683 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.871 8.393 -20.989 1.00 0.00 H new ATOM 0 HB3 ASN A 61 26.021 7.335 -20.196 1.00 0.00 H new ATOM 0 HD21 ASN A 61 28.180 8.888 -22.637 1.00 0.00 H new ATOM 0 HD22 ASN A 61 27.503 9.098 -21.019 1.00 0.00 H new ATOM 946 N SER A 62 22.767 5.084 -20.479 1.00 0.00 N ATOM 947 CA SER A 62 21.870 4.655 -19.415 1.00 0.00 C ATOM 948 C SER A 62 22.612 3.785 -18.411 1.00 0.00 C ATOM 949 O SER A 62 23.383 2.902 -18.786 1.00 0.00 O ATOM 950 CB SER A 62 20.672 3.897 -19.990 1.00 0.00 C ATOM 951 OG SER A 62 19.796 4.773 -20.676 1.00 0.00 O ATOM 0 H SER A 62 22.577 4.662 -21.388 1.00 0.00 H new ATOM 0 HA SER A 62 21.502 5.543 -18.902 1.00 0.00 H new ATOM 0 HB2 SER A 62 21.022 3.121 -20.671 1.00 0.00 H new ATOM 0 HB3 SER A 62 20.134 3.396 -19.185 1.00 0.00 H new ATOM 0 HG SER A 62 19.470 4.338 -21.491 1.00 0.00 H new ATOM 957 N ALA A 63 22.370 4.043 -17.133 1.00 0.00 N ATOM 958 CA ALA A 63 23.011 3.288 -16.066 1.00 0.00 C ATOM 959 C ALA A 63 22.052 3.025 -14.915 1.00 0.00 C ATOM 960 O ALA A 63 21.135 3.806 -14.666 1.00 0.00 O ATOM 961 CB ALA A 63 24.243 4.026 -15.563 1.00 0.00 C ATOM 0 H ALA A 63 21.733 4.771 -16.810 1.00 0.00 H new ATOM 0 HA ALA A 63 23.314 2.325 -16.477 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.712 3.450 -14.765 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.950 4.154 -16.382 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.950 5.004 -15.180 1.00 0.00 H new ATOM 967 N ILE A 64 22.271 1.920 -14.212 1.00 0.00 N ATOM 968 CA ILE A 64 21.425 1.560 -13.088 1.00 0.00 C ATOM 969 C ILE A 64 22.246 1.229 -11.847 1.00 0.00 C ATOM 970 O ILE A 64 23.292 0.586 -11.927 1.00 0.00 O ATOM 971 CB ILE A 64 20.509 0.374 -13.438 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.472 0.832 -14.463 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.823 -0.172 -12.189 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.506 -0.248 -14.871 1.00 0.00 C ATOM 0 H ILE A 64 23.026 1.261 -14.402 1.00 0.00 H new ATOM 0 HA ILE A 64 20.807 2.430 -12.868 1.00 0.00 H new ATOM 0 HB ILE A 64 21.110 -0.430 -13.862 1.00 0.00 H new ATOM 0 HG12 ILE A 64 18.912 1.671 -14.050 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.988 1.199 -15.350 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.181 -1.009 -12.463 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.577 -0.510 -11.478 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.220 0.613 -11.732 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.801 0.151 -15.600 1.00 0.00 H new ATOM 0 HD12 ILE A 64 19.055 -1.079 -15.314 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.962 -0.600 -13.994 1.00 0.00 H new ATOM 986 N GLN A 65 21.740 1.664 -10.702 1.00 0.00 N ATOM 987 CA GLN A 65 22.386 1.416 -9.421 1.00 0.00 C ATOM 988 C GLN A 65 21.326 1.046 -8.395 1.00 0.00 C ATOM 989 O GLN A 65 20.505 1.878 -8.010 1.00 0.00 O ATOM 990 CB GLN A 65 23.164 2.650 -8.958 1.00 0.00 C ATOM 991 CG GLN A 65 24.278 3.061 -9.908 1.00 0.00 C ATOM 992 CD GLN A 65 25.632 2.517 -9.493 1.00 0.00 C ATOM 993 OE1 GLN A 65 26.385 3.175 -8.774 1.00 0.00 O ATOM 994 NE2 GLN A 65 25.950 1.309 -9.945 1.00 0.00 N ATOM 0 H GLN A 65 20.873 2.197 -10.635 1.00 0.00 H new ATOM 0 HA GLN A 65 23.094 0.595 -9.530 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.471 3.483 -8.842 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.591 2.452 -7.975 1.00 0.00 H new ATOM 0 HG2 GLN A 65 24.042 2.709 -10.912 1.00 0.00 H new ATOM 0 HG3 GLN A 65 24.327 4.149 -9.955 1.00 0.00 H new ATOM 0 HE21 GLN A 65 25.296 0.798 -10.538 1.00 0.00 H new ATOM 0 HE22 GLN A 65 26.848 0.892 -9.699 1.00 0.00 H new ATOM 1003 N GLY A 66 21.327 -0.213 -7.976 1.00 0.00 N ATOM 1004 CA GLY A 66 20.335 -0.666 -7.023 1.00 0.00 C ATOM 1005 C GLY A 66 18.952 -0.689 -7.644 1.00 0.00 C ATOM 1006 O GLY A 66 18.732 -1.365 -8.649 1.00 0.00 O ATOM 0 H GLY A 66 21.993 -0.924 -8.277 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.595 -1.664 -6.669 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.336 -0.009 -6.153 1.00 0.00 H new ATOM 1010 N SER A 67 18.016 0.039 -7.048 1.00 0.00 N ATOM 1011 CA SER A 67 16.651 0.082 -7.558 1.00 0.00 C ATOM 1012 C SER A 67 16.381 1.359 -8.354 1.00 0.00 C ATOM 1013 O SER A 67 15.290 1.534 -8.895 1.00 0.00 O ATOM 1014 CB SER A 67 15.655 -0.017 -6.403 1.00 0.00 C ATOM 1015 OG SER A 67 15.493 1.235 -5.760 1.00 0.00 O ATOM 0 H SER A 67 18.176 0.605 -6.215 1.00 0.00 H new ATOM 0 HA SER A 67 16.527 -0.768 -8.229 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.692 -0.364 -6.778 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.002 -0.757 -5.682 1.00 0.00 H new ATOM 0 HG SER A 67 14.794 1.749 -6.216 1.00 0.00 H new ATOM 1021 N VAL A 68 17.369 2.249 -8.431 1.00 0.00 N ATOM 1022 CA VAL A 68 17.203 3.502 -9.167 1.00 0.00 C ATOM 1023 C VAL A 68 17.890 3.463 -10.531 1.00 0.00 C ATOM 1024 O VAL A 68 19.004 2.956 -10.666 1.00 0.00 O ATOM 1025 CB VAL A 68 17.752 4.704 -8.378 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.255 6.003 -8.992 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.356 4.613 -6.913 1.00 0.00 C ATOM 0 H VAL A 68 18.284 2.128 -7.998 1.00 0.00 H new ATOM 0 HA VAL A 68 16.129 3.620 -9.311 1.00 0.00 H new ATOM 0 HB VAL A 68 18.841 4.688 -8.432 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.649 6.847 -8.426 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.593 6.070 -10.026 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.166 6.025 -8.965 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.755 5.473 -6.374 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.269 4.605 -6.830 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.760 3.696 -6.483 1.00 0.00 H new ATOM 1037 N LEU A 69 17.215 4.007 -11.538 1.00 0.00 N ATOM 1038 CA LEU A 69 17.748 4.050 -12.893 1.00 0.00 C ATOM 1039 C LEU A 69 18.277 5.450 -13.212 1.00 0.00 C ATOM 1040 O LEU A 69 17.566 6.445 -13.051 1.00 0.00 O ATOM 1041 CB LEU A 69 16.652 3.648 -13.891 1.00 0.00 C ATOM 1042 CG LEU A 69 16.872 4.090 -15.342 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.208 3.582 -15.861 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.732 3.600 -16.226 1.00 0.00 C ATOM 0 H LEU A 69 16.291 4.427 -11.439 1.00 0.00 H new ATOM 0 HA LEU A 69 18.576 3.346 -12.974 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.552 2.563 -13.873 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.704 4.061 -13.546 1.00 0.00 H new ATOM 0 HG LEU A 69 16.887 5.180 -15.371 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.345 3.907 -16.893 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.013 3.982 -15.245 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.225 2.493 -15.818 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.904 3.922 -17.253 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.686 2.512 -16.190 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.790 4.015 -15.868 1.00 0.00 H new ATOM 1056 N THR A 70 19.527 5.528 -13.661 1.00 0.00 N ATOM 1057 CA THR A 70 20.138 6.805 -14.002 1.00 0.00 C ATOM 1058 C THR A 70 20.497 6.835 -15.484 1.00 0.00 C ATOM 1059 O THR A 70 21.179 5.942 -15.980 1.00 0.00 O ATOM 1060 CB THR A 70 21.395 7.033 -13.161 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.191 6.604 -11.826 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.830 8.482 -13.116 1.00 0.00 C ATOM 0 H THR A 70 20.135 4.720 -13.796 1.00 0.00 H new ATOM 0 HA THR A 70 19.422 7.600 -13.791 1.00 0.00 H new ATOM 0 HB THR A 70 22.177 6.450 -13.648 1.00 0.00 H new ATOM 0 HG1 THR A 70 22.007 6.757 -11.305 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.727 8.574 -12.503 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.044 8.829 -14.127 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.033 9.088 -12.685 1.00 0.00 H new ATOM 1070 N SER A 71 20.023 7.851 -16.192 1.00 0.00 N ATOM 1071 CA SER A 71 20.291 7.966 -17.623 1.00 0.00 C ATOM 1072 C SER A 71 20.285 9.422 -18.068 1.00 0.00 C ATOM 1073 O SER A 71 19.613 10.259 -17.465 1.00 0.00 O ATOM 1074 CB SER A 71 19.259 7.165 -18.422 1.00 0.00 C ATOM 1075 OG SER A 71 19.195 7.608 -19.767 1.00 0.00 O ATOM 0 H SER A 71 19.454 8.604 -15.804 1.00 0.00 H new ATOM 0 HA SER A 71 21.283 7.558 -17.814 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.518 6.106 -18.397 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.278 7.264 -17.957 1.00 0.00 H new ATOM 0 HG SER A 71 19.364 6.853 -20.368 1.00 0.00 H new ATOM 1081 N THR A 72 21.015 9.720 -19.139 1.00 0.00 N ATOM 1082 CA THR A 72 21.056 11.073 -19.669 1.00 0.00 C ATOM 1083 C THR A 72 20.014 11.206 -20.774 1.00 0.00 C ATOM 1084 O THR A 72 19.990 10.404 -21.707 1.00 0.00 O ATOM 1085 CB THR A 72 22.453 11.395 -20.206 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.445 11.051 -19.255 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.641 12.855 -20.557 1.00 0.00 C ATOM 0 H THR A 72 21.582 9.045 -19.652 1.00 0.00 H new ATOM 0 HA THR A 72 20.831 11.782 -18.873 1.00 0.00 H new ATOM 0 HB THR A 72 22.555 10.805 -21.117 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.331 11.262 -19.616 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.653 13.012 -20.931 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.922 13.140 -21.325 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.484 13.466 -19.668 1.00 0.00 H new ATOM 1095 N CYS A 73 19.134 12.195 -20.662 1.00 0.00 N ATOM 1096 CA CYS A 73 18.082 12.369 -21.656 1.00 0.00 C ATOM 1097 C CYS A 73 18.050 13.772 -22.240 1.00 0.00 C ATOM 1098 O CYS A 73 18.279 14.762 -21.545 1.00 0.00 O ATOM 1099 CB CYS A 73 16.720 12.040 -21.047 1.00 0.00 C ATOM 1100 SG CYS A 73 16.535 10.301 -20.545 1.00 0.00 S ATOM 0 H CYS A 73 19.127 12.879 -19.905 1.00 0.00 H new ATOM 0 HA CYS A 73 18.305 11.680 -22.471 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.558 12.678 -20.178 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.942 12.284 -21.770 1.00 0.00 H new ATOM 1105 N GLU A 74 17.709 13.838 -23.522 1.00 0.00 N ATOM 1106 CA GLU A 74 17.597 15.106 -24.230 1.00 0.00 C ATOM 1107 C GLU A 74 16.326 15.846 -23.818 1.00 0.00 C ATOM 1108 O GLU A 74 15.257 15.244 -23.711 1.00 0.00 O ATOM 1109 CB GLU A 74 17.601 14.868 -25.742 1.00 0.00 C ATOM 1110 CG GLU A 74 17.942 16.109 -26.552 1.00 0.00 C ATOM 1111 CD GLU A 74 17.274 16.120 -27.914 1.00 0.00 C ATOM 1112 OE1 GLU A 74 17.774 15.431 -28.827 1.00 0.00 O ATOM 1113 OE2 GLU A 74 16.252 16.821 -28.067 1.00 0.00 O ATOM 0 H GLU A 74 17.504 13.020 -24.096 1.00 0.00 H new ATOM 0 HA GLU A 74 18.455 15.724 -23.965 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.320 14.083 -25.976 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.620 14.503 -26.047 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.639 16.996 -25.996 1.00 0.00 H new ATOM 0 HG3 GLU A 74 19.023 16.168 -26.681 1.00 0.00 H new ATOM 1120 N ARG A 75 16.442 17.149 -23.593 1.00 0.00 N ATOM 1121 CA ARG A 75 15.294 17.959 -23.199 1.00 0.00 C ATOM 1122 C ARG A 75 14.617 18.550 -24.431 1.00 0.00 C ATOM 1123 O ARG A 75 15.283 18.902 -25.405 1.00 0.00 O ATOM 1124 CB ARG A 75 15.735 19.075 -22.252 1.00 0.00 C ATOM 1125 CG ARG A 75 16.782 18.633 -21.242 1.00 0.00 C ATOM 1126 CD ARG A 75 17.329 19.810 -20.452 1.00 0.00 C ATOM 1127 NE ARG A 75 18.534 20.364 -21.062 1.00 0.00 N ATOM 1128 CZ ARG A 75 19.112 21.494 -20.665 1.00 0.00 C ATOM 1129 NH1 ARG A 75 18.596 22.194 -19.661 1.00 0.00 N ATOM 1130 NH2 ARG A 75 20.209 21.926 -21.272 1.00 0.00 N ATOM 0 H ARG A 75 17.317 17.667 -23.676 1.00 0.00 H new ATOM 0 HA ARG A 75 14.579 17.322 -22.679 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.134 19.903 -22.839 1.00 0.00 H new ATOM 0 HB3 ARG A 75 14.863 19.454 -21.718 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.344 17.907 -20.557 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.599 18.131 -21.760 1.00 0.00 H new ATOM 0 HD2 ARG A 75 16.567 20.587 -20.384 1.00 0.00 H new ATOM 0 HD3 ARG A 75 17.552 19.491 -19.434 1.00 0.00 H new ATOM 0 HE ARG A 75 18.957 19.855 -21.838 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.753 21.865 -19.191 1.00 0.00 H new ATOM 0 HH12 ARG A 75 19.043 23.060 -19.360 1.00 0.00 H new ATOM 0 HH21 ARG A 75 20.609 21.392 -22.043 1.00 0.00 H new ATOM 0 HH22 ARG A 75 20.653 22.793 -20.968 1.00 0.00 H new ATOM 1144 N THR A 76 13.291 18.642 -24.395 1.00 0.00 N ATOM 1145 CA THR A 76 12.527 19.173 -25.522 1.00 0.00 C ATOM 1146 C THR A 76 13.058 20.531 -25.977 1.00 0.00 C ATOM 1147 O THR A 76 12.916 20.900 -27.143 1.00 0.00 O ATOM 1148 CB THR A 76 11.051 19.292 -25.138 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.542 18.040 -24.715 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.173 19.786 -26.267 1.00 0.00 C ATOM 0 H THR A 76 12.722 18.356 -23.598 1.00 0.00 H new ATOM 0 HA THR A 76 12.636 18.479 -26.355 1.00 0.00 H new ATOM 0 HB THR A 76 11.022 20.025 -24.332 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.598 18.136 -24.472 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.140 19.846 -25.925 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.509 20.774 -26.584 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.237 19.094 -27.107 1.00 0.00 H new ATOM 1158 N ASN A 77 13.669 21.272 -25.058 1.00 0.00 N ATOM 1159 CA ASN A 77 14.217 22.584 -25.385 1.00 0.00 C ATOM 1160 C ASN A 77 15.616 22.472 -25.997 1.00 0.00 C ATOM 1161 O ASN A 77 16.249 23.482 -26.305 1.00 0.00 O ATOM 1162 CB ASN A 77 14.259 23.470 -24.139 1.00 0.00 C ATOM 1163 CG ASN A 77 12.954 24.208 -23.913 1.00 0.00 C ATOM 1164 OD1 ASN A 77 11.970 23.628 -23.455 1.00 0.00 O ATOM 1165 ND2 ASN A 77 12.939 25.497 -24.234 1.00 0.00 N ATOM 0 H ASN A 77 13.797 20.989 -24.086 1.00 0.00 H new ATOM 0 HA ASN A 77 13.561 23.040 -26.126 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.482 22.856 -23.267 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.070 24.192 -24.236 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.089 26.045 -24.103 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.778 25.938 -24.611 1.00 0.00 H new ATOM 1172 N GLY A 78 16.089 21.242 -26.179 1.00 0.00 N ATOM 1173 CA GLY A 78 17.401 21.028 -26.760 1.00 0.00 C ATOM 1174 C GLY A 78 18.496 20.928 -25.721 1.00 0.00 C ATOM 1175 O GLY A 78 18.523 21.682 -24.750 1.00 0.00 O ATOM 0 H GLY A 78 15.586 20.389 -25.934 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.385 20.114 -27.353 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.628 21.847 -27.443 1.00 0.00 H new ATOM 1179 N GLY A 79 19.380 19.969 -25.926 1.00 0.00 N ATOM 1180 CA GLY A 79 20.471 19.736 -24.998 1.00 0.00 C ATOM 1181 C GLY A 79 20.354 18.371 -24.350 1.00 0.00 C ATOM 1182 O GLY A 79 19.544 17.556 -24.786 1.00 0.00 O ATOM 0 H GLY A 79 19.364 19.338 -26.728 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.423 19.812 -25.524 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.470 20.508 -24.229 1.00 0.00 H new ATOM 1186 N TYR A 80 21.165 18.109 -23.327 1.00 0.00 N ATOM 1187 CA TYR A 80 21.131 16.816 -22.643 1.00 0.00 C ATOM 1188 C TYR A 80 21.054 16.994 -21.127 1.00 0.00 C ATOM 1189 O TYR A 80 21.672 17.900 -20.566 1.00 0.00 O ATOM 1190 CB TYR A 80 22.371 15.991 -22.999 1.00 0.00 C ATOM 1191 CG TYR A 80 22.647 15.910 -24.484 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.738 15.314 -25.349 1.00 0.00 C ATOM 1193 CD2 TYR A 80 23.817 16.431 -25.020 1.00 0.00 C ATOM 1194 CE1 TYR A 80 21.986 15.242 -26.706 1.00 0.00 C ATOM 1195 CE2 TYR A 80 24.073 16.363 -26.376 1.00 0.00 C ATOM 1196 CZ TYR A 80 23.155 15.768 -27.214 1.00 0.00 C ATOM 1197 OH TYR A 80 23.406 15.699 -28.565 1.00 0.00 O ATOM 0 H TYR A 80 21.849 18.768 -22.955 1.00 0.00 H new ATOM 0 HA TYR A 80 20.237 16.289 -22.976 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.239 16.424 -22.501 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.249 14.982 -22.606 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.822 14.900 -24.954 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.539 16.897 -24.366 1.00 0.00 H new ATOM 0 HE1 TYR A 80 21.268 14.776 -27.365 1.00 0.00 H new ATOM 0 HE2 TYR A 80 24.988 16.774 -26.777 1.00 0.00 H new ATOM 0 HH TYR A 80 24.271 16.116 -28.759 1.00 0.00 H new ATOM 1207 N ASN A 81 20.285 16.126 -20.472 1.00 0.00 N ATOM 1208 CA ASN A 81 20.120 16.179 -19.023 1.00 0.00 C ATOM 1209 C ASN A 81 19.763 14.799 -18.474 1.00 0.00 C ATOM 1210 O ASN A 81 18.846 14.142 -18.966 1.00 0.00 O ATOM 1211 CB ASN A 81 19.038 17.193 -18.643 1.00 0.00 C ATOM 1212 CG ASN A 81 19.121 17.609 -17.187 1.00 0.00 C ATOM 1213 OD1 ASN A 81 18.354 17.134 -16.348 1.00 0.00 O ATOM 1214 ND2 ASN A 81 20.054 18.502 -16.879 1.00 0.00 N ATOM 0 H ASN A 81 19.765 15.375 -20.925 1.00 0.00 H new ATOM 0 HA ASN A 81 21.065 16.496 -18.583 1.00 0.00 H new ATOM 0 HB2 ASN A 81 19.132 18.075 -19.276 1.00 0.00 H new ATOM 0 HB3 ASN A 81 18.056 16.763 -18.840 1.00 0.00 H new ATOM 0 HD21 ASN A 81 20.157 18.821 -15.916 1.00 0.00 H new ATOM 0 HD22 ASN A 81 20.668 18.869 -17.606 1.00 0.00 H new ATOM 1221 N THR A 82 20.501 14.365 -17.457 1.00 0.00 N ATOM 1222 CA THR A 82 20.275 13.062 -16.839 1.00 0.00 C ATOM 1223 C THR A 82 19.332 13.171 -15.651 1.00 0.00 C ATOM 1224 O THR A 82 19.474 14.060 -14.811 1.00 0.00 O ATOM 1225 CB THR A 82 21.598 12.433 -16.405 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.371 11.299 -15.586 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.484 13.385 -15.636 1.00 0.00 C ATOM 0 H THR A 82 21.264 14.899 -17.042 1.00 0.00 H new ATOM 0 HA THR A 82 19.809 12.419 -17.586 1.00 0.00 H new ATOM 0 HB THR A 82 22.104 12.155 -17.329 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.664 10.747 -15.980 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.407 12.878 -15.357 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.718 14.248 -16.259 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.966 13.717 -14.736 1.00 0.00 H new ATOM 1235 N SER A 83 18.366 12.260 -15.588 1.00 0.00 N ATOM 1236 CA SER A 83 17.391 12.242 -14.508 1.00 0.00 C ATOM 1237 C SER A 83 17.417 10.893 -13.790 1.00 0.00 C ATOM 1238 O SER A 83 17.871 9.889 -14.346 1.00 0.00 O ATOM 1239 CB SER A 83 15.991 12.524 -15.060 1.00 0.00 C ATOM 1240 OG SER A 83 15.662 11.621 -16.102 1.00 0.00 O ATOM 0 H SER A 83 18.239 11.520 -16.279 1.00 0.00 H new ATOM 0 HA SER A 83 17.649 13.020 -13.790 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.257 12.442 -14.258 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.943 13.547 -15.433 1.00 0.00 H new ATOM 0 HG SER A 83 15.486 12.122 -16.926 1.00 0.00 H new ATOM 1246 N SER A 84 16.937 10.874 -12.552 1.00 0.00 N ATOM 1247 CA SER A 84 16.915 9.648 -11.766 1.00 0.00 C ATOM 1248 C SER A 84 15.492 9.292 -11.345 1.00 0.00 C ATOM 1249 O SER A 84 14.676 10.171 -11.068 1.00 0.00 O ATOM 1250 CB SER A 84 17.811 9.790 -10.533 1.00 0.00 C ATOM 1251 OG SER A 84 17.219 10.640 -9.566 1.00 0.00 O ATOM 0 H SER A 84 16.559 11.691 -12.073 1.00 0.00 H new ATOM 0 HA SER A 84 17.297 8.840 -12.390 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.992 8.808 -10.096 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.781 10.191 -10.829 1.00 0.00 H new ATOM 0 HG SER A 84 17.811 10.712 -8.788 1.00 0.00 H new ATOM 1257 N ILE A 85 15.204 7.992 -11.298 1.00 0.00 N ATOM 1258 CA ILE A 85 13.878 7.511 -10.915 1.00 0.00 C ATOM 1259 C ILE A 85 13.966 6.213 -10.111 1.00 0.00 C ATOM 1260 O ILE A 85 14.808 5.360 -10.388 1.00 0.00 O ATOM 1261 CB ILE A 85 12.997 7.281 -12.160 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.567 6.937 -11.748 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.582 6.181 -13.034 1.00 0.00 C ATOM 1264 CD1 ILE A 85 10.636 6.738 -12.925 1.00 0.00 C ATOM 0 H ILE A 85 15.871 7.253 -11.520 1.00 0.00 H new ATOM 0 HA ILE A 85 13.425 8.280 -10.290 1.00 0.00 H new ATOM 0 HB ILE A 85 12.975 8.203 -12.740 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.578 6.029 -11.145 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.177 7.734 -11.116 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.946 6.033 -13.907 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.583 6.467 -13.358 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.636 5.254 -12.464 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.637 6.496 -12.562 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.596 7.653 -13.516 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.004 5.921 -13.546 1.00 0.00 H new ATOM 1276 N ASP A 86 13.086 6.071 -9.118 1.00 0.00 N ATOM 1277 CA ASP A 86 13.058 4.876 -8.269 1.00 0.00 C ATOM 1278 C ASP A 86 12.003 3.878 -8.760 1.00 0.00 C ATOM 1279 O ASP A 86 10.809 4.174 -8.756 1.00 0.00 O ATOM 1280 CB ASP A 86 12.771 5.270 -6.818 1.00 0.00 C ATOM 1281 CG ASP A 86 12.959 4.115 -5.854 1.00 0.00 C ATOM 1282 OD1 ASP A 86 14.118 3.695 -5.651 1.00 0.00 O ATOM 1283 OD2 ASP A 86 11.949 3.632 -5.300 1.00 0.00 O ATOM 0 H ASP A 86 12.382 6.770 -8.881 1.00 0.00 H new ATOM 0 HA ASP A 86 14.035 4.395 -8.324 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.430 6.090 -6.531 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.749 5.640 -6.741 1.00 0.00 H new ATOM 1288 N LEU A 87 12.456 2.702 -9.194 1.00 0.00 N ATOM 1289 CA LEU A 87 11.550 1.669 -9.711 1.00 0.00 C ATOM 1290 C LEU A 87 11.157 0.630 -8.657 1.00 0.00 C ATOM 1291 O LEU A 87 10.316 -0.227 -8.922 1.00 0.00 O ATOM 1292 CB LEU A 87 12.179 0.968 -10.913 1.00 0.00 C ATOM 1293 CG LEU A 87 12.839 1.902 -11.927 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.624 1.105 -12.957 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.789 2.768 -12.606 1.00 0.00 C ATOM 0 H LEU A 87 13.441 2.439 -9.199 1.00 0.00 H new ATOM 0 HA LEU A 87 10.636 2.182 -10.011 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.925 0.260 -10.553 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.409 0.388 -11.422 1.00 0.00 H new ATOM 0 HG LEU A 87 13.535 2.552 -11.398 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.086 1.788 -13.670 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.399 0.525 -12.455 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.951 0.430 -13.485 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.272 3.429 -13.326 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.071 2.131 -13.123 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.270 3.366 -11.856 1.00 0.00 H new ATOM 1307 N ASN A 88 11.769 0.681 -7.477 1.00 0.00 N ATOM 1308 CA ASN A 88 11.476 -0.294 -6.421 1.00 0.00 C ATOM 1309 C ASN A 88 9.972 -0.533 -6.267 1.00 0.00 C ATOM 1310 O ASN A 88 9.549 -1.611 -5.849 1.00 0.00 O ATOM 1311 CB ASN A 88 12.048 0.208 -5.093 1.00 0.00 C ATOM 1312 CG ASN A 88 11.905 -0.807 -3.979 1.00 0.00 C ATOM 1313 OD1 ASN A 88 12.434 -2.001 -4.203 1.00 0.00 O flip ATOM 1314 ND2 ASN A 88 11.326 -0.521 -2.930 1.00 0.00 N flip ATOM 0 H ASN A 88 12.467 1.381 -7.225 1.00 0.00 H new ATOM 0 HA ASN A 88 11.939 -1.240 -6.702 1.00 0.00 H new ATOM 0 HB2 ASN A 88 13.102 0.452 -5.224 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.540 1.130 -4.808 1.00 0.00 H new ATOM 0 HD21 ASN A 88 10.934 0.412 -2.802 1.00 0.00 H new ATOM 0 HD22 ASN A 88 11.239 -1.217 -2.190 1.00 0.00 H new ATOM 1321 N SER A 89 9.168 0.469 -6.607 1.00 0.00 N ATOM 1322 CA SER A 89 7.716 0.350 -6.502 1.00 0.00 C ATOM 1323 C SER A 89 7.098 -0.373 -7.702 1.00 0.00 C ATOM 1324 O SER A 89 6.127 -1.116 -7.551 1.00 0.00 O ATOM 1325 CB SER A 89 7.082 1.735 -6.352 1.00 0.00 C ATOM 1326 OG SER A 89 7.923 2.742 -6.889 1.00 0.00 O ATOM 0 H SER A 89 9.495 1.370 -6.957 1.00 0.00 H new ATOM 0 HA SER A 89 7.510 -0.251 -5.616 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.117 1.754 -6.859 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.892 1.939 -5.298 1.00 0.00 H new ATOM 0 HG SER A 89 7.495 3.617 -6.782 1.00 0.00 H new ATOM 1332 N VAL A 90 7.628 -0.122 -8.898 1.00 0.00 N ATOM 1333 CA VAL A 90 7.085 -0.731 -10.110 1.00 0.00 C ATOM 1334 C VAL A 90 7.437 -2.215 -10.256 1.00 0.00 C ATOM 1335 O VAL A 90 6.551 -3.047 -10.452 1.00 0.00 O ATOM 1336 CB VAL A 90 7.511 0.038 -11.385 1.00 0.00 C ATOM 1337 CG1 VAL A 90 7.356 1.534 -11.179 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.940 -0.290 -11.790 1.00 0.00 C ATOM 0 H VAL A 90 8.426 0.494 -9.053 1.00 0.00 H new ATOM 0 HA VAL A 90 6.003 -0.663 -10.000 1.00 0.00 H new ATOM 0 HB VAL A 90 6.854 -0.281 -12.194 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.660 2.059 -12.084 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.314 1.765 -10.958 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.983 1.854 -10.347 1.00 0.00 H new ATOM 0 HG21 VAL A 90 9.201 0.269 -12.688 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.619 -0.017 -10.982 1.00 0.00 H new ATOM 0 HG23 VAL A 90 9.025 -1.358 -11.990 1.00 0.00 H new ATOM 1348 N ILE A 91 8.722 -2.545 -10.187 1.00 0.00 N ATOM 1349 CA ILE A 91 9.156 -3.928 -10.341 1.00 0.00 C ATOM 1350 C ILE A 91 8.986 -4.715 -9.043 1.00 0.00 C ATOM 1351 O ILE A 91 9.091 -4.163 -7.947 1.00 0.00 O ATOM 1352 CB ILE A 91 10.619 -4.011 -10.836 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.742 -3.363 -12.225 1.00 0.00 C ATOM 1354 CG2 ILE A 91 11.092 -5.459 -10.879 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.501 -2.051 -12.215 1.00 0.00 C ATOM 0 H ILE A 91 9.477 -1.878 -10.026 1.00 0.00 H new ATOM 0 HA ILE A 91 8.516 -4.381 -11.098 1.00 0.00 H new ATOM 0 HB ILE A 91 11.254 -3.468 -10.137 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.243 -4.058 -12.898 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.743 -3.193 -12.628 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.123 -5.495 -11.230 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.034 -5.891 -9.880 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.458 -6.029 -11.558 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.549 -1.651 -13.228 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.989 -1.339 -11.567 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.512 -2.218 -11.843 1.00 0.00 H new ATOM 1367 N GLU A 92 8.699 -6.009 -9.180 1.00 0.00 N ATOM 1368 CA GLU A 92 8.484 -6.886 -8.035 1.00 0.00 C ATOM 1369 C GLU A 92 9.169 -8.224 -8.273 1.00 0.00 C ATOM 1370 O GLU A 92 9.541 -8.533 -9.403 1.00 0.00 O ATOM 1371 CB GLU A 92 6.982 -7.116 -7.837 1.00 0.00 C ATOM 1372 CG GLU A 92 6.591 -7.413 -6.399 1.00 0.00 C ATOM 1373 CD GLU A 92 5.095 -7.324 -6.172 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.336 -7.483 -7.151 1.00 0.00 O ATOM 1375 OE2 GLU A 92 4.682 -7.096 -5.016 1.00 0.00 O ATOM 0 H GLU A 92 8.610 -6.475 -10.083 1.00 0.00 H new ATOM 0 HA GLU A 92 8.903 -6.417 -7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.441 -6.232 -8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.665 -7.946 -8.469 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.937 -8.411 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.098 -6.712 -5.736 1.00 0.00 H new ATOM 1382 N ASN A 93 9.348 -9.022 -7.222 1.00 0.00 N ATOM 1383 CA ASN A 93 10.002 -10.317 -7.367 1.00 0.00 C ATOM 1384 C ASN A 93 8.982 -11.447 -7.257 1.00 0.00 C ATOM 1385 O ASN A 93 8.589 -11.844 -6.160 1.00 0.00 O ATOM 1386 CB ASN A 93 11.078 -10.471 -6.288 1.00 0.00 C ATOM 1387 CG ASN A 93 11.690 -11.858 -6.256 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.907 -12.480 -7.297 1.00 0.00 O ATOM 1389 ND2 ASN A 93 11.976 -12.349 -5.056 1.00 0.00 N ATOM 0 H ASN A 93 9.053 -8.797 -6.272 1.00 0.00 H new ATOM 0 HA ASN A 93 10.467 -10.370 -8.351 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.865 -9.736 -6.460 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.642 -10.249 -5.314 1.00 0.00 H new ATOM 0 HD21 ASN A 93 12.392 -13.276 -4.970 1.00 0.00 H new ATOM 0 HD22 ASN A 93 11.779 -11.799 -4.220 1.00 0.00 H new ATOM 1396 N VAL A 94 8.572 -11.965 -8.408 1.00 0.00 N ATOM 1397 CA VAL A 94 7.610 -13.059 -8.462 1.00 0.00 C ATOM 1398 C VAL A 94 8.308 -14.396 -8.683 1.00 0.00 C ATOM 1399 O VAL A 94 8.609 -14.763 -9.818 1.00 0.00 O ATOM 1400 CB VAL A 94 6.574 -12.842 -9.579 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.505 -13.926 -9.537 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.952 -11.458 -9.465 1.00 0.00 C ATOM 0 H VAL A 94 8.893 -11.643 -9.321 1.00 0.00 H new ATOM 0 HA VAL A 94 7.097 -13.076 -7.500 1.00 0.00 H new ATOM 0 HB VAL A 94 7.082 -12.908 -10.541 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.782 -13.755 -10.334 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.971 -14.902 -9.673 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.996 -13.898 -8.574 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.222 -11.321 -10.262 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.457 -11.360 -8.499 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.731 -10.701 -9.552 1.00 0.00 H new ATOM 1412 N ASP A 95 8.558 -15.129 -7.603 1.00 0.00 N ATOM 1413 CA ASP A 95 9.213 -16.429 -7.698 1.00 0.00 C ATOM 1414 C ASP A 95 10.532 -16.346 -8.463 1.00 0.00 C ATOM 1415 O ASP A 95 10.916 -17.291 -9.152 1.00 0.00 O ATOM 1416 CB ASP A 95 8.286 -17.439 -8.372 1.00 0.00 C ATOM 1417 CG ASP A 95 8.716 -18.868 -8.111 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.142 -19.160 -6.972 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.629 -19.695 -9.044 1.00 0.00 O ATOM 0 H ASP A 95 8.317 -14.846 -6.653 1.00 0.00 H new ATOM 0 HA ASP A 95 9.435 -16.758 -6.683 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.268 -17.295 -8.009 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.270 -17.256 -9.446 1.00 0.00 H new ATOM 1424 N GLY A 96 11.223 -15.216 -8.337 1.00 0.00 N ATOM 1425 CA GLY A 96 12.500 -15.045 -9.018 1.00 0.00 C ATOM 1426 C GLY A 96 12.362 -14.410 -10.388 1.00 0.00 C ATOM 1427 O GLY A 96 13.173 -14.661 -11.280 1.00 0.00 O ATOM 0 H GLY A 96 10.925 -14.417 -7.778 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.154 -14.428 -8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.983 -16.017 -9.121 1.00 0.00 H new ATOM 1431 N SER A 97 11.331 -13.590 -10.559 1.00 0.00 N ATOM 1432 CA SER A 97 11.093 -12.921 -11.833 1.00 0.00 C ATOM 1433 C SER A 97 10.590 -11.496 -11.615 1.00 0.00 C ATOM 1434 O SER A 97 9.709 -11.259 -10.788 1.00 0.00 O ATOM 1435 CB SER A 97 10.087 -13.716 -12.665 1.00 0.00 C ATOM 1436 OG SER A 97 10.746 -14.637 -13.517 1.00 0.00 O ATOM 0 H SER A 97 10.648 -13.373 -9.833 1.00 0.00 H new ATOM 0 HA SER A 97 12.038 -12.869 -12.374 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.405 -14.251 -12.004 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.482 -13.033 -13.261 1.00 0.00 H new ATOM 0 HG SER A 97 10.081 -15.135 -14.037 1.00 0.00 H new ATOM 1442 N LEU A 98 11.160 -10.550 -12.357 1.00 0.00 N ATOM 1443 CA LEU A 98 10.772 -9.149 -12.233 1.00 0.00 C ATOM 1444 C LEU A 98 9.423 -8.882 -12.892 1.00 0.00 C ATOM 1445 O LEU A 98 9.255 -9.071 -14.096 1.00 0.00 O ATOM 1446 CB LEU A 98 11.837 -8.235 -12.845 1.00 0.00 C ATOM 1447 CG LEU A 98 13.255 -8.443 -12.312 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.202 -7.415 -12.910 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.270 -8.363 -10.793 1.00 0.00 C ATOM 0 H LEU A 98 11.889 -10.728 -13.048 1.00 0.00 H new ATOM 0 HA LEU A 98 10.683 -8.931 -11.169 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.846 -8.385 -13.925 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.548 -7.199 -12.670 1.00 0.00 H new ATOM 0 HG LEU A 98 13.593 -9.436 -12.607 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.207 -7.576 -12.521 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.212 -7.518 -13.995 1.00 0.00 H new ATOM 0 HD13 LEU A 98 13.866 -6.413 -12.644 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.287 -8.513 -10.431 1.00 0.00 H new ATOM 0 HD22 LEU A 98 12.913 -7.383 -10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.620 -9.136 -10.382 1.00 0.00 H new ATOM 1461 N LYS A 99 8.467 -8.433 -12.084 1.00 0.00 N ATOM 1462 CA LYS A 99 7.123 -8.121 -12.561 1.00 0.00 C ATOM 1463 C LYS A 99 6.752 -6.678 -12.248 1.00 0.00 C ATOM 1464 O LYS A 99 7.264 -6.086 -11.301 1.00 0.00 O ATOM 1465 CB LYS A 99 6.095 -9.067 -11.936 1.00 0.00 C ATOM 1466 CG LYS A 99 5.979 -10.413 -12.639 1.00 0.00 C ATOM 1467 CD LYS A 99 7.252 -11.235 -12.525 1.00 0.00 C ATOM 1468 CE LYS A 99 7.015 -12.678 -12.942 1.00 0.00 C ATOM 1469 NZ LYS A 99 7.294 -12.891 -14.389 1.00 0.00 N ATOM 0 H LYS A 99 8.601 -8.276 -11.085 1.00 0.00 H new ATOM 0 HA LYS A 99 7.117 -8.254 -13.643 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.360 -9.236 -10.892 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.119 -8.581 -11.942 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.148 -10.973 -12.211 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.746 -10.252 -13.692 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.029 -10.796 -13.151 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.616 -11.206 -11.498 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.650 -13.336 -12.349 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.982 -12.953 -12.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.619 -13.867 -14.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.426 -12.726 -14.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.032 -12.228 -14.701 1.00 0.00 H new ATOM 1483 N TYR A 100 5.859 -6.117 -13.057 1.00 0.00 N ATOM 1484 CA TYR A 100 5.418 -4.740 -12.874 1.00 0.00 C ATOM 1485 C TYR A 100 4.228 -4.671 -11.923 1.00 0.00 C ATOM 1486 O TYR A 100 4.300 -4.045 -10.866 1.00 0.00 O ATOM 1487 CB TYR A 100 5.045 -4.123 -14.223 1.00 0.00 C ATOM 1488 CG TYR A 100 4.703 -2.653 -14.142 1.00 0.00 C ATOM 1489 CD1 TYR A 100 3.409 -2.235 -13.864 1.00 0.00 C ATOM 1490 CD2 TYR A 100 5.677 -1.683 -14.343 1.00 0.00 C ATOM 1491 CE1 TYR A 100 3.094 -0.892 -13.787 1.00 0.00 C ATOM 1492 CE2 TYR A 100 5.371 -0.338 -14.267 1.00 0.00 C ATOM 1493 CZ TYR A 100 4.078 0.052 -13.989 1.00 0.00 C ATOM 1494 OH TYR A 100 3.768 1.391 -13.911 1.00 0.00 O ATOM 0 H TYR A 100 5.426 -6.596 -13.847 1.00 0.00 H new ATOM 0 HA TYR A 100 6.241 -4.174 -12.436 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.875 -4.257 -14.916 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.194 -4.663 -14.637 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.636 -2.972 -13.705 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.690 -1.985 -14.562 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.082 -0.583 -13.570 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.140 0.404 -14.424 1.00 0.00 H new ATOM 0 HH TYR A 100 4.574 1.924 -14.077 1.00 0.00 H new