USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=25 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 156:sc= 0.44 USER MOD Set 1.2: A 71 SER OG : rot 124:sc= 0.376 USER MOD Set 2.1: A 51 GLN : amide:sc= 0.528 K(o=-1.2,f=-2.8) USER MOD Set 2.2: A 53 SER OG : rot -144:sc= -1.76 USER MOD Set 3.1: A 43 ASN : amide:sc= -2.76! C(o=-4.6!,f=-4!) USER MOD Set 3.2: A 58 THR OG1 : rot 120:sc= -1.85! USER MOD Set 4.1: A 7 THR OG1 : rot -160:sc= 0 USER MOD Set 4.2: A 93 ASN : amide:sc= -0.378 K(o=-0.38,f=-5.7!) USER MOD Single : A 10 ASN : amide:sc= -7.72 K(o=-7.7,f=-17!) USER MOD Single : A 11 THR OG1 : rot -80:sc= -1.14 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 25:sc= -1.36! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc=0.000421 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.0202 X(o=-0.02,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.426 USER MOD Single : A 33 THR OG1 : rot 60:sc= -0.597 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -5.27 K(o=-5.3,f=-12!) USER MOD Single : A 40 HIS : no HD1:sc= -4.49 X(o=-4.5,f=-4.6!) 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 54 ASN : amide:sc= -3.35 K(o=-3.3,f=-4.3!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc=-0.00642 K(o=-0.0064,f=-1.7) USER MOD Single : A 60 TYR OH : rot -170:sc= 0.862 USER MOD Single : A 61 ASN : amide:sc= -0.225 K(o=-0.22,f=-2!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -160:sc= 0 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 142:sc= 0.857 USER MOD Single : A 77 ASN : amide:sc= -0.103 K(o=-0.1,f=0.74) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0193 K(o=-0.019,f=-0.61) USER MOD Single : A 82 THR OG1 : rot 49:sc= 0.879 USER MOD Single : A 83 SER OG : rot -130:sc= -0.0312 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -6.69! C(o=-6.7!,f=-5!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 19:sc= 0.0228 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot -179:sc= 1.46 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A 4 11.082 -5.330 -5.280 1.00 0.00 N ATOM 59 CA PHE A 4 11.972 -6.319 -5.897 1.00 0.00 C ATOM 60 C PHE A 4 13.411 -6.181 -5.390 1.00 0.00 C ATOM 61 O PHE A 4 14.084 -7.179 -5.134 1.00 0.00 O ATOM 62 CB PHE A 4 11.916 -6.204 -7.431 1.00 0.00 C ATOM 63 CG PHE A 4 12.741 -5.084 -8.010 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.249 -3.790 -8.049 1.00 0.00 C ATOM 65 CD2 PHE A 4 14.007 -5.331 -8.517 1.00 0.00 C ATOM 66 CE1 PHE A 4 13.005 -2.762 -8.580 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.768 -4.308 -9.050 1.00 0.00 C ATOM 68 CZ PHE A 4 14.266 -3.021 -9.081 1.00 0.00 C ATOM 0 HA PHE A 4 11.622 -7.310 -5.608 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.252 -7.146 -7.865 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.878 -6.066 -7.734 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.263 -3.582 -7.660 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.404 -6.335 -8.495 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.610 -1.757 -8.603 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.753 -4.514 -9.442 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.858 -2.219 -9.496 1.00 0.00 H new ATOM 78 N ILE A 5 13.877 -4.944 -5.247 1.00 0.00 N ATOM 79 CA ILE A 5 15.235 -4.690 -4.777 1.00 0.00 C ATOM 80 C ILE A 5 15.463 -5.241 -3.368 1.00 0.00 C ATOM 81 O ILE A 5 16.601 -5.475 -2.961 1.00 0.00 O ATOM 82 CB ILE A 5 15.550 -3.179 -4.789 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.046 -2.950 -4.569 1.00 0.00 C ATOM 84 CG2 ILE A 5 14.725 -2.440 -3.739 1.00 0.00 C ATOM 85 CD1 ILE A 5 17.889 -3.291 -5.779 1.00 0.00 C ATOM 0 H ILE A 5 13.336 -4.103 -5.449 1.00 0.00 H new ATOM 0 HA ILE A 5 15.906 -5.207 -5.464 1.00 0.00 H new ATOM 0 HB ILE A 5 15.278 -2.778 -5.765 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.211 -1.906 -4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.378 -3.551 -3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.966 -1.377 -3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.664 -2.577 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.955 -2.837 -2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 5 18.939 -3.106 -5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.752 -4.342 -6.033 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.583 -2.671 -6.622 1.00 0.00 H new ATOM 97 N GLU A 6 14.377 -5.457 -2.633 1.00 0.00 N ATOM 98 CA GLU A 6 14.466 -5.987 -1.274 1.00 0.00 C ATOM 99 C GLU A 6 14.809 -7.478 -1.280 1.00 0.00 C ATOM 100 O GLU A 6 15.371 -7.998 -0.315 1.00 0.00 O ATOM 101 CB GLU A 6 13.142 -5.763 -0.537 1.00 0.00 C ATOM 102 CG GLU A 6 12.914 -4.321 -0.106 1.00 0.00 C ATOM 103 CD GLU A 6 13.917 -3.850 0.930 1.00 0.00 C ATOM 104 OE1 GLU A 6 14.096 -4.552 1.947 1.00 0.00 O ATOM 105 OE2 GLU A 6 14.521 -2.775 0.725 1.00 0.00 O ATOM 0 H GLU A 6 13.426 -5.274 -2.953 1.00 0.00 H new ATOM 0 HA GLU A 6 15.266 -5.456 -0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.321 -6.073 -1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.115 -6.404 0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.970 -3.672 -0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.907 -4.223 0.299 1.00 0.00 H new ATOM 112 N THR A 7 14.469 -8.159 -2.373 1.00 0.00 N ATOM 113 CA THR A 7 14.745 -9.586 -2.506 1.00 0.00 C ATOM 114 C THR A 7 15.678 -9.875 -3.691 1.00 0.00 C ATOM 115 O THR A 7 16.095 -11.016 -3.898 1.00 0.00 O ATOM 116 CB THR A 7 13.437 -10.365 -2.670 1.00 0.00 C ATOM 117 OG1 THR A 7 12.655 -9.811 -3.712 1.00 0.00 O ATOM 118 CG2 THR A 7 12.579 -10.390 -1.419 1.00 0.00 C ATOM 0 H THR A 7 14.002 -7.744 -3.179 1.00 0.00 H new ATOM 0 HA THR A 7 15.249 -9.911 -1.596 1.00 0.00 H new ATOM 0 HB THR A 7 13.742 -11.387 -2.896 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.722 -10.091 -3.605 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.670 -10.960 -1.612 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.134 -10.858 -0.606 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.315 -9.370 -1.138 1.00 0.00 H new ATOM 126 N CYS A 8 15.991 -8.843 -4.477 1.00 0.00 N ATOM 127 CA CYS A 8 16.864 -9.001 -5.642 1.00 0.00 C ATOM 128 C CYS A 8 18.256 -8.437 -5.367 1.00 0.00 C ATOM 129 O CYS A 8 18.424 -7.528 -4.555 1.00 0.00 O ATOM 130 CB CYS A 8 16.265 -8.313 -6.877 1.00 0.00 C ATOM 131 SG CYS A 8 14.604 -8.906 -7.347 1.00 0.00 S ATOM 0 H CYS A 8 15.654 -7.892 -4.329 1.00 0.00 H new ATOM 0 HA CYS A 8 16.950 -10.069 -5.840 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.214 -7.240 -6.690 1.00 0.00 H new ATOM 0 HB3 CYS A 8 16.940 -8.458 -7.720 1.00 0.00 H new ATOM 136 N ARG A 9 19.248 -8.988 -6.058 1.00 0.00 N ATOM 137 CA ARG A 9 20.633 -8.555 -5.899 1.00 0.00 C ATOM 138 C ARG A 9 21.292 -8.322 -7.257 1.00 0.00 C ATOM 139 O ARG A 9 20.702 -8.615 -8.296 1.00 0.00 O ATOM 140 CB ARG A 9 21.421 -9.596 -5.105 1.00 0.00 C ATOM 141 CG ARG A 9 21.248 -11.009 -5.632 1.00 0.00 C ATOM 142 CD ARG A 9 22.374 -11.919 -5.174 1.00 0.00 C ATOM 143 NE ARG A 9 22.308 -13.225 -5.823 1.00 0.00 N ATOM 144 CZ ARG A 9 23.213 -14.186 -5.662 1.00 0.00 C ATOM 145 NH1 ARG A 9 24.270 -13.992 -4.883 1.00 0.00 N ATOM 146 NH2 ARG A 9 23.056 -15.346 -6.285 1.00 0.00 N ATOM 0 H ARG A 9 19.119 -9.739 -6.737 1.00 0.00 H new ATOM 0 HA ARG A 9 20.635 -7.612 -5.352 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.479 -9.335 -5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.105 -9.563 -4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.294 -11.411 -5.291 1.00 0.00 H new ATOM 0 HG3 ARG A 9 21.215 -10.990 -6.721 1.00 0.00 H new ATOM 0 HD2 ARG A 9 23.333 -11.451 -5.394 1.00 0.00 H new ATOM 0 HD3 ARG A 9 22.322 -12.046 -4.093 1.00 0.00 H new ATOM 0 HE ARG A 9 21.517 -13.412 -6.439 1.00 0.00 H new ATOM 0 HH11 ARG A 9 24.393 -13.101 -4.403 1.00 0.00 H new ATOM 0 HH12 ARG A 9 24.960 -14.734 -4.765 1.00 0.00 H new ATOM 0 HH21 ARG A 9 22.244 -15.497 -6.884 1.00 0.00 H new ATOM 0 HH22 ARG A 9 23.747 -16.087 -6.165 1.00 0.00 H new ATOM 160 N ASN A 10 22.514 -7.782 -7.247 1.00 0.00 N ATOM 161 CA ASN A 10 23.254 -7.499 -8.478 1.00 0.00 C ATOM 162 C ASN A 10 22.385 -6.778 -9.507 1.00 0.00 C ATOM 163 O ASN A 10 22.213 -7.247 -10.632 1.00 0.00 O ATOM 164 CB ASN A 10 23.854 -8.784 -9.069 1.00 0.00 C ATOM 165 CG ASN A 10 22.810 -9.757 -9.579 1.00 0.00 C ATOM 166 OD1 ASN A 10 22.210 -10.503 -8.806 1.00 0.00 O ATOM 167 ND2 ASN A 10 22.596 -9.763 -10.890 1.00 0.00 N ATOM 0 H ASN A 10 23.013 -7.531 -6.394 1.00 0.00 H new ATOM 0 HA ASN A 10 24.074 -6.830 -8.217 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.524 -8.520 -9.887 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.459 -9.277 -8.308 1.00 0.00 H new ATOM 0 HD21 ASN A 10 21.912 -10.404 -11.292 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.116 -9.127 -11.495 1.00 0.00 H new ATOM 174 N THR A 11 21.861 -5.616 -9.116 1.00 0.00 N ATOM 175 CA THR A 11 21.036 -4.807 -10.005 1.00 0.00 C ATOM 176 C THR A 11 21.929 -4.033 -10.972 1.00 0.00 C ATOM 177 O THR A 11 22.899 -3.397 -10.561 1.00 0.00 O ATOM 178 CB THR A 11 20.159 -3.846 -9.193 1.00 0.00 C ATOM 179 OG1 THR A 11 20.959 -2.898 -8.510 1.00 0.00 O ATOM 180 CG2 THR A 11 19.297 -4.544 -8.161 1.00 0.00 C ATOM 0 H THR A 11 21.995 -5.216 -8.187 1.00 0.00 H new ATOM 0 HA THR A 11 20.380 -5.462 -10.578 1.00 0.00 H new ATOM 0 HB THR A 11 19.506 -3.366 -9.922 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.325 -3.304 -7.697 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.703 -3.805 -7.623 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.633 -5.251 -8.659 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.934 -5.079 -7.457 1.00 0.00 H new ATOM 188 N GLN A 12 21.608 -4.111 -12.259 1.00 0.00 N ATOM 189 CA GLN A 12 22.400 -3.441 -13.289 1.00 0.00 C ATOM 190 C GLN A 12 21.584 -3.181 -14.550 1.00 0.00 C ATOM 191 O GLN A 12 20.516 -3.762 -14.741 1.00 0.00 O ATOM 192 CB GLN A 12 23.645 -4.265 -13.619 1.00 0.00 C ATOM 193 CG GLN A 12 23.333 -5.638 -14.191 1.00 0.00 C ATOM 194 CD GLN A 12 24.579 -6.390 -14.617 1.00 0.00 C ATOM 195 OE1 GLN A 12 25.436 -6.712 -13.794 1.00 0.00 O ATOM 196 NE2 GLN A 12 24.684 -6.675 -15.909 1.00 0.00 N ATOM 0 H GLN A 12 20.806 -4.631 -12.616 1.00 0.00 H new ATOM 0 HA GLN A 12 22.708 -2.473 -12.893 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.256 -3.714 -14.333 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.241 -4.385 -12.714 1.00 0.00 H new ATOM 0 HG2 GLN A 12 22.796 -6.225 -13.445 1.00 0.00 H new ATOM 0 HG3 GLN A 12 22.669 -5.528 -15.048 1.00 0.00 H new ATOM 0 HE21 GLN A 12 23.949 -6.389 -16.556 1.00 0.00 H new ATOM 0 HE22 GLN A 12 25.500 -7.181 -16.255 1.00 0.00 H new ATOM 205 N LEU A 13 22.097 -2.302 -15.406 1.00 0.00 N ATOM 206 CA LEU A 13 21.419 -1.959 -16.650 1.00 0.00 C ATOM 207 C LEU A 13 21.984 -2.753 -17.811 1.00 0.00 C ATOM 208 O LEU A 13 23.198 -2.901 -17.948 1.00 0.00 O ATOM 209 CB LEU A 13 21.582 -0.476 -16.974 1.00 0.00 C ATOM 210 CG LEU A 13 20.858 -0.024 -18.249 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.691 0.888 -17.910 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.821 0.668 -19.206 1.00 0.00 C ATOM 0 H LEU A 13 22.981 -1.814 -15.260 1.00 0.00 H new ATOM 0 HA LEU A 13 20.364 -2.196 -16.511 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.212 0.110 -16.133 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.644 -0.253 -17.075 1.00 0.00 H new ATOM 0 HG LEU A 13 20.466 -0.911 -18.746 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.192 1.197 -18.828 1.00 0.00 H new ATOM 0 HD12 LEU A 13 18.984 0.354 -17.275 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.059 1.769 -17.383 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.283 0.979 -20.102 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.252 1.543 -18.719 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.618 -0.022 -19.482 1.00 0.00 H new ATOM 224 N ALA A 14 21.094 -3.249 -18.656 1.00 0.00 N ATOM 225 CA ALA A 14 21.487 -4.009 -19.823 1.00 0.00 C ATOM 226 C ALA A 14 20.963 -3.315 -21.069 1.00 0.00 C ATOM 227 O ALA A 14 19.881 -2.728 -21.044 1.00 0.00 O ATOM 228 CB ALA A 14 20.942 -5.422 -19.731 1.00 0.00 C ATOM 0 H ALA A 14 20.086 -3.135 -18.550 1.00 0.00 H new ATOM 0 HA ALA A 14 22.574 -4.065 -19.875 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.243 -5.986 -20.614 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.337 -5.907 -18.838 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.854 -5.389 -19.675 1.00 0.00 H new ATOM 234 N GLY A 15 21.726 -3.356 -22.152 1.00 0.00 N ATOM 235 CA GLY A 15 21.289 -2.697 -23.367 1.00 0.00 C ATOM 236 C GLY A 15 21.097 -1.209 -23.156 1.00 0.00 C ATOM 237 O GLY A 15 21.769 -0.608 -22.317 1.00 0.00 O ATOM 0 H GLY A 15 22.629 -3.827 -22.212 1.00 0.00 H new ATOM 0 HA2 GLY A 15 22.024 -2.862 -24.155 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.353 -3.141 -23.706 1.00 0.00 H new ATOM 241 N SER A 16 20.215 -0.600 -23.937 1.00 0.00 N ATOM 242 CA SER A 16 19.991 0.835 -23.838 1.00 0.00 C ATOM 243 C SER A 16 18.954 1.185 -22.778 1.00 0.00 C ATOM 244 O SER A 16 19.074 2.212 -22.108 1.00 0.00 O ATOM 245 CB SER A 16 19.527 1.381 -25.186 1.00 0.00 C ATOM 246 OG SER A 16 20.223 0.763 -26.254 1.00 0.00 O ATOM 0 H SER A 16 19.647 -1.073 -24.640 1.00 0.00 H new ATOM 0 HA SER A 16 20.938 1.289 -23.547 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.456 1.213 -25.301 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.686 2.459 -25.220 1.00 0.00 H new ATOM 0 HG SER A 16 19.906 1.129 -27.106 1.00 0.00 H new ATOM 252 N SER A 17 17.925 0.356 -22.632 1.00 0.00 N ATOM 253 CA SER A 17 16.882 0.639 -21.661 1.00 0.00 C ATOM 254 C SER A 17 16.348 -0.619 -20.959 1.00 0.00 C ATOM 255 O SER A 17 15.167 -0.689 -20.620 1.00 0.00 O ATOM 256 CB SER A 17 15.756 1.406 -22.353 1.00 0.00 C ATOM 257 OG SER A 17 15.530 0.904 -23.658 1.00 0.00 O ATOM 0 H SER A 17 17.794 -0.503 -23.166 1.00 0.00 H new ATOM 0 HA SER A 17 17.319 1.248 -20.870 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.842 1.326 -21.765 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.010 2.465 -22.405 1.00 0.00 H new ATOM 0 HG SER A 17 15.823 -0.030 -23.704 1.00 0.00 H new ATOM 263 N GLU A 18 17.226 -1.595 -20.720 1.00 0.00 N ATOM 264 CA GLU A 18 16.846 -2.831 -20.019 1.00 0.00 C ATOM 265 C GLU A 18 17.529 -2.953 -18.661 1.00 0.00 C ATOM 266 O GLU A 18 18.632 -2.445 -18.459 1.00 0.00 O ATOM 267 CB GLU A 18 17.147 -4.082 -20.852 1.00 0.00 C ATOM 268 CG GLU A 18 16.066 -4.423 -21.859 1.00 0.00 C ATOM 269 CD GLU A 18 16.406 -4.004 -23.271 1.00 0.00 C ATOM 270 OE1 GLU A 18 17.055 -2.950 -23.438 1.00 0.00 O ATOM 271 OE2 GLU A 18 16.020 -4.728 -24.213 1.00 0.00 O ATOM 0 H GLU A 18 18.206 -1.557 -21.000 1.00 0.00 H new ATOM 0 HA GLU A 18 15.769 -2.764 -19.864 1.00 0.00 H new ATOM 0 HB2 GLU A 18 18.089 -3.937 -21.380 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.285 -4.929 -20.180 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.888 -5.498 -21.840 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.136 -3.941 -21.559 1.00 0.00 H new ATOM 278 N LEU A 19 16.862 -3.643 -17.734 1.00 0.00 N ATOM 279 CA LEU A 19 17.394 -3.861 -16.392 1.00 0.00 C ATOM 280 C LEU A 19 17.420 -5.355 -16.101 1.00 0.00 C ATOM 281 O LEU A 19 16.396 -6.034 -16.198 1.00 0.00 O ATOM 282 CB LEU A 19 16.549 -3.121 -15.336 1.00 0.00 C ATOM 283 CG LEU A 19 16.688 -3.632 -13.891 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.127 -3.525 -13.414 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.767 -2.863 -12.950 1.00 0.00 C ATOM 0 H LEU A 19 15.946 -4.062 -17.892 1.00 0.00 H new ATOM 0 HA LEU A 19 18.407 -3.463 -16.343 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.820 -2.065 -15.356 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.500 -3.187 -15.626 1.00 0.00 H new ATOM 0 HG LEU A 19 16.396 -4.682 -13.882 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.199 -3.892 -12.390 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.770 -4.123 -14.060 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.445 -2.483 -13.449 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.884 -3.243 -11.935 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.025 -1.804 -12.973 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.732 -2.991 -13.268 1.00 0.00 H new ATOM 297 N ALA A 20 18.585 -5.869 -15.739 1.00 0.00 N ATOM 298 CA ALA A 20 18.729 -7.278 -15.435 1.00 0.00 C ATOM 299 C ALA A 20 19.222 -7.443 -13.999 1.00 0.00 C ATOM 300 O ALA A 20 20.009 -6.634 -13.509 1.00 0.00 O ATOM 301 CB ALA A 20 19.669 -7.925 -16.440 1.00 0.00 C ATOM 0 H ALA A 20 19.445 -5.327 -15.649 1.00 0.00 H new ATOM 0 HA ALA A 20 17.765 -7.781 -15.515 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.775 -8.985 -16.209 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.261 -7.812 -17.445 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.645 -7.443 -16.388 1.00 0.00 H new ATOM 307 N ALA A 21 18.732 -8.473 -13.323 1.00 0.00 N ATOM 308 CA ALA A 21 19.096 -8.719 -11.931 1.00 0.00 C ATOM 309 C ALA A 21 18.783 -10.157 -11.525 1.00 0.00 C ATOM 310 O ALA A 21 18.129 -10.886 -12.269 1.00 0.00 O ATOM 311 CB ALA A 21 18.372 -7.732 -11.029 1.00 0.00 C ATOM 0 H ALA A 21 18.081 -9.153 -13.715 1.00 0.00 H new ATOM 0 HA ALA A 21 20.171 -8.575 -11.822 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.646 -7.919 -9.991 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.655 -6.715 -11.302 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.295 -7.853 -11.147 1.00 0.00 H new ATOM 317 N GLU A 22 19.204 -10.552 -10.326 1.00 0.00 N ATOM 318 CA GLU A 22 18.909 -11.887 -9.825 1.00 0.00 C ATOM 319 C GLU A 22 17.992 -11.773 -8.614 1.00 0.00 C ATOM 320 O GLU A 22 18.222 -10.946 -7.730 1.00 0.00 O ATOM 321 CB GLU A 22 20.190 -12.628 -9.447 1.00 0.00 C ATOM 322 CG GLU A 22 21.189 -12.730 -10.586 1.00 0.00 C ATOM 323 CD GLU A 22 21.647 -14.153 -10.836 1.00 0.00 C ATOM 324 OE1 GLU A 22 20.813 -15.075 -10.720 1.00 0.00 O ATOM 325 OE2 GLU A 22 22.840 -14.344 -11.148 1.00 0.00 O ATOM 0 H GLU A 22 19.747 -9.969 -9.689 1.00 0.00 H new ATOM 0 HA GLU A 22 18.414 -12.457 -10.611 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.660 -12.118 -8.606 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.933 -13.632 -9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.739 -12.332 -11.496 1.00 0.00 H new ATOM 0 HG3 GLU A 22 22.055 -12.108 -10.361 1.00 0.00 H new ATOM 332 N CYS A 23 16.943 -12.585 -8.569 1.00 0.00 N ATOM 333 CA CYS A 23 16.007 -12.526 -7.457 1.00 0.00 C ATOM 334 C CYS A 23 15.730 -13.905 -6.875 1.00 0.00 C ATOM 335 O CYS A 23 15.484 -14.865 -7.604 1.00 0.00 O ATOM 336 CB CYS A 23 14.706 -11.874 -7.916 1.00 0.00 C ATOM 337 SG CYS A 23 14.953 -10.294 -8.787 1.00 0.00 S ATOM 0 H CYS A 23 16.722 -13.283 -9.280 1.00 0.00 H new ATOM 0 HA CYS A 23 16.459 -11.926 -6.668 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.176 -12.563 -8.573 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.067 -11.706 -7.049 1.00 0.00 H new ATOM 342 N LYS A 24 15.787 -13.993 -5.553 1.00 0.00 N ATOM 343 CA LYS A 24 15.551 -15.253 -4.867 1.00 0.00 C ATOM 344 C LYS A 24 14.114 -15.722 -5.044 1.00 0.00 C ATOM 345 O LYS A 24 13.169 -14.936 -4.963 1.00 0.00 O ATOM 346 CB LYS A 24 15.881 -15.128 -3.378 1.00 0.00 C ATOM 347 CG LYS A 24 15.022 -14.114 -2.640 1.00 0.00 C ATOM 348 CD LYS A 24 15.026 -14.374 -1.142 1.00 0.00 C ATOM 349 CE LYS A 24 16.090 -13.549 -0.434 1.00 0.00 C ATOM 350 NZ LYS A 24 15.898 -13.549 1.042 1.00 0.00 N ATOM 0 H LYS A 24 15.994 -13.207 -4.936 1.00 0.00 H new ATOM 0 HA LYS A 24 16.209 -15.997 -5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.761 -16.103 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.929 -14.849 -3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.392 -13.108 -2.838 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.000 -14.157 -3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.046 -14.137 -0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.203 -15.433 -0.956 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.077 -13.947 -0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.061 -12.524 -0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.642 -12.976 1.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.967 -13.146 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.950 -14.524 1.399 1.00 0.00 H new ATOM 364 N THR A 25 13.967 -17.017 -5.283 1.00 0.00 N ATOM 365 CA THR A 25 12.658 -17.623 -5.473 1.00 0.00 C ATOM 366 C THR A 25 12.037 -17.986 -4.132 1.00 0.00 C ATOM 367 O THR A 25 12.604 -17.697 -3.078 1.00 0.00 O ATOM 368 CB THR A 25 12.778 -18.871 -6.345 1.00 0.00 C ATOM 369 OG1 THR A 25 13.702 -19.783 -5.778 1.00 0.00 O ATOM 370 CG2 THR A 25 13.233 -18.573 -7.759 1.00 0.00 C ATOM 0 H THR A 25 14.745 -17.673 -5.350 1.00 0.00 H new ATOM 0 HA THR A 25 12.013 -16.900 -5.972 1.00 0.00 H new ATOM 0 HB THR A 25 11.775 -19.296 -6.388 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.767 -20.578 -6.347 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.297 -19.503 -8.324 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.517 -17.906 -8.239 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.213 -18.096 -7.733 1.00 0.00 H new ATOM 378 N ARG A 26 10.871 -18.617 -4.176 1.00 0.00 N ATOM 379 CA ARG A 26 10.176 -19.019 -2.962 1.00 0.00 C ATOM 380 C ARG A 26 11.009 -20.026 -2.163 1.00 0.00 C ATOM 381 O ARG A 26 10.909 -20.090 -0.938 1.00 0.00 O ATOM 382 CB ARG A 26 8.811 -19.620 -3.315 1.00 0.00 C ATOM 383 CG ARG A 26 7.898 -18.672 -4.085 1.00 0.00 C ATOM 384 CD ARG A 26 6.854 -18.028 -3.183 1.00 0.00 C ATOM 385 NE ARG A 26 5.635 -17.696 -3.922 1.00 0.00 N ATOM 386 CZ ARG A 26 4.492 -17.323 -3.350 1.00 0.00 C ATOM 387 NH1 ARG A 26 4.374 -17.304 -2.029 1.00 0.00 N ATOM 388 NH2 ARG A 26 3.454 -16.985 -4.103 1.00 0.00 N ATOM 0 H ARG A 26 10.387 -18.861 -5.040 1.00 0.00 H new ATOM 0 HA ARG A 26 10.027 -18.135 -2.342 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.965 -20.522 -3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.310 -19.924 -2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.498 -17.894 -4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.399 -19.219 -4.885 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.611 -18.706 -2.365 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.267 -17.124 -2.736 1.00 0.00 H new ATOM 0 HE ARG A 26 5.663 -17.754 -4.940 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.163 -17.577 -1.443 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.494 -17.017 -1.600 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.532 -17.011 -5.120 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.578 -16.699 -3.665 1.00 0.00 H new ATOM 402 N ALA A 27 11.818 -20.825 -2.862 1.00 0.00 N ATOM 403 CA ALA A 27 12.647 -21.836 -2.207 1.00 0.00 C ATOM 404 C ALA A 27 13.948 -21.250 -1.651 1.00 0.00 C ATOM 405 O ALA A 27 14.841 -21.993 -1.238 1.00 0.00 O ATOM 406 CB ALA A 27 12.944 -22.982 -3.167 1.00 0.00 C ATOM 0 H ALA A 27 11.916 -20.791 -3.877 1.00 0.00 H new ATOM 0 HA ALA A 27 12.080 -22.219 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.562 -23.726 -2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.008 -23.442 -3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.474 -22.598 -4.039 1.00 0.00 H new ATOM 412 N GLN A 28 14.066 -19.923 -1.663 1.00 0.00 N ATOM 413 CA GLN A 28 15.271 -19.242 -1.183 1.00 0.00 C ATOM 414 C GLN A 28 16.479 -19.526 -2.078 1.00 0.00 C ATOM 415 O GLN A 28 17.609 -19.640 -1.602 1.00 0.00 O ATOM 416 CB GLN A 28 15.595 -19.663 0.258 1.00 0.00 C ATOM 417 CG GLN A 28 14.437 -19.505 1.237 1.00 0.00 C ATOM 418 CD GLN A 28 14.498 -18.201 2.011 1.00 0.00 C ATOM 419 OE1 GLN A 28 14.091 -17.151 1.513 1.00 0.00 O ATOM 420 NE2 GLN A 28 15.005 -18.263 3.237 1.00 0.00 N ATOM 0 H GLN A 28 13.338 -19.294 -2.002 1.00 0.00 H new ATOM 0 HA GLN A 28 15.065 -18.172 -1.213 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.913 -20.706 0.256 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.439 -19.073 0.615 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.495 -19.555 0.690 1.00 0.00 H new ATOM 0 HG3 GLN A 28 14.443 -20.340 1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.330 -19.155 3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 28 15.069 -17.419 3.806 1.00 0.00 H new ATOM 429 N GLN A 29 16.232 -19.591 -3.384 1.00 0.00 N ATOM 430 CA GLN A 29 17.290 -19.809 -4.367 1.00 0.00 C ATOM 431 C GLN A 29 17.354 -18.609 -5.310 1.00 0.00 C ATOM 432 O GLN A 29 16.320 -18.110 -5.748 1.00 0.00 O ATOM 433 CB GLN A 29 17.038 -21.099 -5.150 1.00 0.00 C ATOM 434 CG GLN A 29 17.098 -22.348 -4.285 1.00 0.00 C ATOM 435 CD GLN A 29 17.568 -23.573 -5.046 1.00 0.00 C ATOM 436 OE1 GLN A 29 18.432 -24.314 -4.578 1.00 0.00 O ATOM 437 NE2 GLN A 29 16.999 -23.795 -6.226 1.00 0.00 N ATOM 0 H GLN A 29 15.301 -19.495 -3.788 1.00 0.00 H new ATOM 0 HA GLN A 29 18.245 -19.912 -3.853 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.059 -21.042 -5.626 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.776 -21.182 -5.948 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.769 -22.170 -3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.110 -22.543 -3.868 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.286 -23.155 -6.577 1.00 0.00 H new ATOM 0 HE22 GLN A 29 17.275 -24.605 -6.781 1.00 0.00 H new ATOM 446 N PHE A 30 18.561 -18.128 -5.604 1.00 0.00 N ATOM 447 CA PHE A 30 18.721 -16.961 -6.473 1.00 0.00 C ATOM 448 C PHE A 30 18.862 -17.357 -7.944 1.00 0.00 C ATOM 449 O PHE A 30 19.736 -18.144 -8.306 1.00 0.00 O ATOM 450 CB PHE A 30 19.951 -16.151 -6.047 1.00 0.00 C ATOM 451 CG PHE A 30 19.946 -15.746 -4.598 1.00 0.00 C ATOM 452 CD1 PHE A 30 20.367 -16.625 -3.610 1.00 0.00 C ATOM 453 CD2 PHE A 30 19.521 -14.481 -4.226 1.00 0.00 C ATOM 454 CE1 PHE A 30 20.362 -16.247 -2.278 1.00 0.00 C ATOM 455 CE2 PHE A 30 19.514 -14.099 -2.899 1.00 0.00 C ATOM 456 CZ PHE A 30 19.934 -14.982 -1.923 1.00 0.00 C ATOM 0 H PHE A 30 19.435 -18.523 -5.258 1.00 0.00 H new ATOM 0 HA PHE A 30 17.820 -16.356 -6.370 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.847 -16.739 -6.246 1.00 0.00 H new ATOM 0 HB3 PHE A 30 20.014 -15.255 -6.664 1.00 0.00 H new ATOM 0 HD1 PHE A 30 20.702 -17.615 -3.883 1.00 0.00 H new ATOM 0 HD2 PHE A 30 19.191 -13.785 -4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 30 20.692 -16.940 -1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 30 19.180 -13.109 -2.624 1.00 0.00 H new ATOM 0 HZ PHE A 30 19.928 -14.684 -0.885 1.00 0.00 H new ATOM 466 N VAL A 31 17.997 -16.793 -8.789 1.00 0.00 N ATOM 467 CA VAL A 31 18.022 -17.068 -10.224 1.00 0.00 C ATOM 468 C VAL A 31 18.014 -15.765 -11.026 1.00 0.00 C ATOM 469 O VAL A 31 17.468 -14.755 -10.580 1.00 0.00 O ATOM 470 CB VAL A 31 16.820 -17.931 -10.655 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.925 -19.328 -10.064 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.516 -17.265 -10.246 1.00 0.00 C ATOM 0 H VAL A 31 17.268 -16.140 -8.501 1.00 0.00 H new ATOM 0 HA VAL A 31 18.941 -17.618 -10.428 1.00 0.00 H new ATOM 0 HB VAL A 31 16.830 -18.023 -11.741 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.067 -19.922 -10.380 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.843 -19.802 -10.412 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.940 -19.263 -8.976 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.677 -17.887 -10.557 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.494 -17.142 -9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.441 -16.288 -10.724 1.00 0.00 H new ATOM 482 N SER A 32 18.653 -15.783 -12.193 1.00 0.00 N ATOM 483 CA SER A 32 18.742 -14.592 -13.036 1.00 0.00 C ATOM 484 C SER A 32 17.394 -14.229 -13.656 1.00 0.00 C ATOM 485 O SER A 32 16.675 -15.087 -14.166 1.00 0.00 O ATOM 486 CB SER A 32 19.779 -14.805 -14.141 1.00 0.00 C ATOM 487 OG SER A 32 21.096 -14.624 -13.649 1.00 0.00 O ATOM 0 H SER A 32 19.116 -16.607 -12.577 1.00 0.00 H new ATOM 0 HA SER A 32 19.049 -13.763 -12.398 1.00 0.00 H new ATOM 0 HB2 SER A 32 19.676 -15.810 -14.551 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.594 -14.107 -14.957 1.00 0.00 H new ATOM 0 HG SER A 32 21.739 -14.768 -14.375 1.00 0.00 H new ATOM 493 N THR A 33 17.071 -12.937 -13.607 1.00 0.00 N ATOM 494 CA THR A 33 15.821 -12.421 -14.153 1.00 0.00 C ATOM 495 C THR A 33 16.037 -11.034 -14.755 1.00 0.00 C ATOM 496 O THR A 33 17.035 -10.374 -14.464 1.00 0.00 O ATOM 497 CB THR A 33 14.745 -12.365 -13.068 1.00 0.00 C ATOM 498 OG1 THR A 33 13.589 -11.694 -13.539 1.00 0.00 O ATOM 499 CG2 THR A 33 15.205 -11.663 -11.813 1.00 0.00 C ATOM 0 H THR A 33 17.667 -12.223 -13.189 1.00 0.00 H new ATOM 0 HA THR A 33 15.484 -13.095 -14.940 1.00 0.00 H new ATOM 0 HB THR A 33 14.523 -13.404 -12.825 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.230 -12.169 -14.317 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.396 -11.657 -11.082 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.065 -12.187 -11.397 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.486 -10.637 -12.052 1.00 0.00 H new ATOM 507 N LYS A 34 15.113 -10.596 -15.604 1.00 0.00 N ATOM 508 CA LYS A 34 15.246 -9.297 -16.242 1.00 0.00 C ATOM 509 C LYS A 34 13.907 -8.587 -16.394 1.00 0.00 C ATOM 510 O LYS A 34 12.845 -9.211 -16.409 1.00 0.00 O ATOM 511 CB LYS A 34 15.902 -9.453 -17.614 1.00 0.00 C ATOM 512 CG LYS A 34 16.520 -8.169 -18.141 1.00 0.00 C ATOM 513 CD LYS A 34 17.042 -8.343 -19.556 1.00 0.00 C ATOM 514 CE LYS A 34 15.915 -8.271 -20.573 1.00 0.00 C ATOM 515 NZ LYS A 34 16.389 -8.581 -21.949 1.00 0.00 N ATOM 0 H LYS A 34 14.275 -11.116 -15.862 1.00 0.00 H new ATOM 0 HA LYS A 34 15.873 -8.683 -15.595 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.674 -10.220 -17.553 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.156 -9.807 -18.326 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.777 -7.372 -18.122 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.335 -7.861 -17.486 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.779 -7.570 -19.772 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.552 -9.302 -19.642 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.128 -8.972 -20.293 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.474 -7.274 -20.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.591 -8.521 -22.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.122 -7.897 -22.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.786 -9.542 -21.971 1.00 0.00 H new ATOM 529 N ILE A 35 13.986 -7.267 -16.518 1.00 0.00 N ATOM 530 CA ILE A 35 12.817 -6.416 -16.677 1.00 0.00 C ATOM 531 C ILE A 35 13.105 -5.371 -17.747 1.00 0.00 C ATOM 532 O ILE A 35 14.119 -4.677 -17.675 1.00 0.00 O ATOM 533 CB ILE A 35 12.471 -5.725 -15.341 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.200 -4.889 -15.468 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.631 -4.868 -14.864 1.00 0.00 C ATOM 536 CD1 ILE A 35 9.995 -5.550 -14.840 1.00 0.00 C ATOM 0 H ILE A 35 14.869 -6.756 -16.511 1.00 0.00 H new ATOM 0 HA ILE A 35 11.965 -7.025 -16.979 1.00 0.00 H new ATOM 0 HB ILE A 35 12.289 -6.502 -14.598 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.361 -3.919 -14.999 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.997 -4.703 -16.523 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.366 -4.390 -13.921 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.511 -5.495 -14.719 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.849 -4.104 -15.610 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.123 -4.908 -14.962 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.811 -6.508 -15.326 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.181 -5.711 -13.778 1.00 0.00 H new ATOM 548 N ASN A 36 12.237 -5.263 -18.752 1.00 0.00 N ATOM 549 CA ASN A 36 12.452 -4.308 -19.834 1.00 0.00 C ATOM 550 C ASN A 36 11.849 -2.947 -19.507 1.00 0.00 C ATOM 551 O ASN A 36 10.630 -2.804 -19.403 1.00 0.00 O ATOM 552 CB ASN A 36 11.847 -4.840 -21.134 1.00 0.00 C ATOM 553 CG ASN A 36 12.409 -4.144 -22.361 1.00 0.00 C ATOM 554 OD1 ASN A 36 11.926 -3.086 -22.762 1.00 0.00 O ATOM 555 ND2 ASN A 36 13.439 -4.731 -22.960 1.00 0.00 N ATOM 0 H ASN A 36 11.387 -5.820 -18.838 1.00 0.00 H new ATOM 0 HA ASN A 36 13.528 -4.183 -19.956 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.036 -5.911 -21.208 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.765 -4.709 -21.109 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.860 -4.304 -23.785 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.809 -5.608 -22.595 1.00 0.00 H new ATOM 562 N LEU A 37 12.711 -1.947 -19.373 1.00 0.00 N ATOM 563 CA LEU A 37 12.269 -0.591 -19.083 1.00 0.00 C ATOM 564 C LEU A 37 11.909 0.144 -20.375 1.00 0.00 C ATOM 565 O LEU A 37 11.260 1.190 -20.337 1.00 0.00 O ATOM 566 CB LEU A 37 13.351 0.173 -18.313 1.00 0.00 C ATOM 567 CG LEU A 37 13.917 -0.564 -17.096 1.00 0.00 C ATOM 568 CD1 LEU A 37 15.037 -1.509 -17.505 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.412 0.427 -16.056 1.00 0.00 C ATOM 0 H LEU A 37 13.722 -2.051 -19.461 1.00 0.00 H new ATOM 0 HA LEU A 37 11.377 -0.646 -18.459 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.170 0.400 -18.995 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.937 1.126 -17.983 1.00 0.00 H new ATOM 0 HG LEU A 37 13.115 -1.157 -16.657 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.422 -2.020 -16.623 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.653 -2.244 -18.212 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.840 -0.940 -17.974 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.811 -0.115 -15.198 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.196 1.048 -16.489 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.585 1.059 -15.733 1.00 0.00 H new ATOM 581 N ASP A 38 12.356 -0.390 -21.521 1.00 0.00 N ATOM 582 CA ASP A 38 12.086 0.244 -22.812 1.00 0.00 C ATOM 583 C ASP A 38 10.586 0.444 -23.027 1.00 0.00 C ATOM 584 O ASP A 38 10.145 1.532 -23.390 1.00 0.00 O ATOM 585 CB ASP A 38 12.638 -0.587 -23.985 1.00 0.00 C ATOM 586 CG ASP A 38 13.956 -1.285 -23.692 1.00 0.00 C ATOM 587 OD1 ASP A 38 14.103 -1.852 -22.590 1.00 0.00 O ATOM 588 OD2 ASP A 38 14.838 -1.275 -24.578 1.00 0.00 O ATOM 0 H ASP A 38 12.900 -1.251 -21.577 1.00 0.00 H new ATOM 0 HA ASP A 38 12.589 1.211 -22.789 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.898 -1.337 -24.264 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.770 0.067 -24.847 1.00 0.00 H new ATOM 593 N ASP A 39 9.792 -0.597 -22.788 1.00 0.00 N ATOM 594 CA ASP A 39 8.342 -0.487 -22.959 1.00 0.00 C ATOM 595 C ASP A 39 7.655 -0.072 -21.665 1.00 0.00 C ATOM 596 O ASP A 39 6.473 0.262 -21.671 1.00 0.00 O ATOM 597 CB ASP A 39 7.718 -1.788 -23.468 1.00 0.00 C ATOM 598 CG ASP A 39 8.648 -2.593 -24.353 1.00 0.00 C ATOM 599 OD1 ASP A 39 9.502 -1.982 -25.029 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.515 -3.834 -24.374 1.00 0.00 O ATOM 0 H ASP A 39 10.119 -1.513 -22.480 1.00 0.00 H new ATOM 0 HA ASP A 39 8.186 0.287 -23.711 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.421 -2.398 -22.615 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.810 -1.554 -24.024 1.00 0.00 H new ATOM 605 N HIS A 40 8.385 -0.079 -20.554 1.00 0.00 N ATOM 606 CA HIS A 40 7.805 0.319 -19.275 1.00 0.00 C ATOM 607 C HIS A 40 8.105 1.790 -19.026 1.00 0.00 C ATOM 608 O HIS A 40 7.205 2.630 -19.034 1.00 0.00 O ATOM 609 CB HIS A 40 8.355 -0.542 -18.133 1.00 0.00 C ATOM 610 CG HIS A 40 7.571 -1.799 -17.911 1.00 0.00 C ATOM 611 ND1 HIS A 40 6.218 -1.800 -17.645 1.00 0.00 N ATOM 612 CD2 HIS A 40 7.949 -3.100 -17.923 1.00 0.00 C ATOM 613 CE1 HIS A 40 5.798 -3.043 -17.501 1.00 0.00 C ATOM 614 NE2 HIS A 40 6.828 -3.852 -17.665 1.00 0.00 N ATOM 0 H HIS A 40 9.367 -0.352 -20.512 1.00 0.00 H new ATOM 0 HA HIS A 40 6.726 0.170 -19.312 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.391 -0.801 -18.349 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.358 0.044 -17.214 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.945 -3.476 -18.102 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.784 -3.346 -17.286 1.00 0.00 H new ATOM 0 HE2 HIS A 40 6.797 -4.870 -17.609 1.00 0.00 H new ATOM 623 N ILE A 41 9.384 2.096 -18.834 1.00 0.00 N ATOM 624 CA ILE A 41 9.814 3.467 -18.615 1.00 0.00 C ATOM 625 C ILE A 41 9.903 4.222 -19.935 1.00 0.00 C ATOM 626 O ILE A 41 10.139 3.633 -20.987 1.00 0.00 O ATOM 627 CB ILE A 41 11.173 3.530 -17.897 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.104 2.748 -16.585 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.574 4.978 -17.644 1.00 0.00 C ATOM 630 CD1 ILE A 41 12.383 2.796 -15.781 1.00 0.00 C ATOM 0 H ILE A 41 10.139 1.410 -18.826 1.00 0.00 H new ATOM 0 HA ILE A 41 9.066 3.938 -17.977 1.00 0.00 H new ATOM 0 HB ILE A 41 11.933 3.076 -18.533 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.289 3.144 -15.979 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.862 1.708 -16.804 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.538 5.005 -17.135 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.650 5.506 -18.595 1.00 0.00 H new ATOM 0 HG23 ILE A 41 10.821 5.460 -17.021 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.258 2.219 -14.864 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.198 2.373 -16.368 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.616 3.831 -15.530 1.00 0.00 H new ATOM 642 N ALA A 42 9.695 5.528 -19.860 1.00 0.00 N ATOM 643 CA ALA A 42 9.734 6.383 -21.047 1.00 0.00 C ATOM 644 C ALA A 42 10.390 7.725 -20.762 1.00 0.00 C ATOM 645 O ALA A 42 10.702 8.053 -19.618 1.00 0.00 O ATOM 646 CB ALA A 42 8.331 6.607 -21.574 1.00 0.00 C ATOM 0 H ALA A 42 9.497 6.024 -18.991 1.00 0.00 H new ATOM 0 HA ALA A 42 10.335 5.869 -21.797 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.372 7.244 -22.457 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.884 5.649 -21.838 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.727 7.089 -20.806 1.00 0.00 H new ATOM 652 N ASN A 43 10.606 8.491 -21.826 1.00 0.00 N ATOM 653 CA ASN A 43 11.232 9.803 -21.718 1.00 0.00 C ATOM 654 C ASN A 43 10.219 10.909 -21.981 1.00 0.00 C ATOM 655 O ASN A 43 9.768 11.096 -23.111 1.00 0.00 O ATOM 656 CB ASN A 43 12.385 9.913 -22.716 1.00 0.00 C ATOM 657 CG ASN A 43 13.063 11.268 -22.685 1.00 0.00 C ATOM 658 OD1 ASN A 43 13.703 11.631 -21.699 1.00 0.00 O ATOM 659 ND2 ASN A 43 12.923 12.024 -23.768 1.00 0.00 N ATOM 0 H ASN A 43 10.355 8.224 -22.778 1.00 0.00 H new ATOM 0 HA ASN A 43 11.616 9.918 -20.704 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.121 9.139 -22.500 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.008 9.723 -23.721 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.356 12.947 -23.805 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.383 11.682 -24.563 1.00 0.00 H new ATOM 666 N ILE A 44 9.864 11.639 -20.934 1.00 0.00 N ATOM 667 CA ILE A 44 8.909 12.727 -21.057 1.00 0.00 C ATOM 668 C ILE A 44 9.602 14.078 -20.861 1.00 0.00 C ATOM 669 O ILE A 44 9.680 14.593 -19.747 1.00 0.00 O ATOM 670 CB ILE A 44 7.755 12.565 -20.044 1.00 0.00 C ATOM 671 CG1 ILE A 44 7.092 11.197 -20.219 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.728 13.675 -20.211 1.00 0.00 C ATOM 673 CD1 ILE A 44 6.448 11.004 -21.575 1.00 0.00 C ATOM 0 H ILE A 44 10.224 11.497 -19.990 1.00 0.00 H new ATOM 0 HA ILE A 44 8.489 12.694 -22.062 1.00 0.00 H new ATOM 0 HB ILE A 44 8.168 12.633 -19.037 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.840 10.418 -20.067 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.335 11.068 -19.445 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.925 13.540 -19.487 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.206 14.641 -20.046 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.316 13.641 -21.220 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.999 10.012 -21.627 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.677 11.760 -21.722 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.204 11.100 -22.354 1.00 0.00 H new ATOM 685 N ASP A 45 10.105 14.643 -21.960 1.00 0.00 N ATOM 686 CA ASP A 45 10.792 15.937 -21.925 1.00 0.00 C ATOM 687 C ASP A 45 12.126 15.847 -21.179 1.00 0.00 C ATOM 688 O ASP A 45 12.488 16.754 -20.429 1.00 0.00 O ATOM 689 CB ASP A 45 9.892 16.986 -21.262 1.00 0.00 C ATOM 690 CG ASP A 45 10.340 18.411 -21.533 1.00 0.00 C ATOM 691 OD1 ASP A 45 9.901 18.990 -22.549 1.00 0.00 O ATOM 692 OD2 ASP A 45 11.121 18.953 -20.722 1.00 0.00 O ATOM 0 H ASP A 45 10.050 14.224 -22.888 1.00 0.00 H new ATOM 0 HA ASP A 45 11.004 16.232 -22.953 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.870 16.858 -21.620 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.876 16.815 -20.186 1.00 0.00 H new ATOM 697 N GLY A 46 12.855 14.752 -21.389 1.00 0.00 N ATOM 698 CA GLY A 46 14.138 14.578 -20.727 1.00 0.00 C ATOM 699 C GLY A 46 14.011 14.028 -19.316 1.00 0.00 C ATOM 700 O GLY A 46 15.014 13.846 -18.626 1.00 0.00 O ATOM 0 H GLY A 46 12.581 13.985 -22.003 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.757 13.904 -21.319 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.655 15.537 -20.692 1.00 0.00 H new ATOM 704 N THR A 47 12.782 13.759 -18.882 1.00 0.00 N ATOM 705 CA THR A 47 12.549 13.226 -17.543 1.00 0.00 C ATOM 706 C THR A 47 12.027 11.795 -17.609 1.00 0.00 C ATOM 707 O THR A 47 11.184 11.468 -18.444 1.00 0.00 O ATOM 708 CB THR A 47 11.550 14.104 -16.784 1.00 0.00 C ATOM 709 OG1 THR A 47 11.879 15.474 -16.922 1.00 0.00 O ATOM 710 CG2 THR A 47 11.483 13.795 -15.303 1.00 0.00 C ATOM 0 H THR A 47 11.937 13.900 -19.435 1.00 0.00 H new ATOM 0 HA THR A 47 13.501 13.226 -17.013 1.00 0.00 H new ATOM 0 HB THR A 47 10.579 13.884 -17.228 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.228 16.018 -16.431 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.756 14.453 -14.827 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.181 12.757 -15.161 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.464 13.952 -14.854 1.00 0.00 H new ATOM 718 N LEU A 48 12.555 10.940 -16.741 1.00 0.00 N ATOM 719 CA LEU A 48 12.161 9.538 -16.731 1.00 0.00 C ATOM 720 C LEU A 48 10.798 9.370 -16.075 1.00 0.00 C ATOM 721 O LEU A 48 10.618 9.636 -14.887 1.00 0.00 O ATOM 722 CB LEU A 48 13.202 8.697 -15.983 1.00 0.00 C ATOM 723 CG LEU A 48 14.492 8.423 -16.757 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.553 7.830 -15.841 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.214 7.497 -17.930 1.00 0.00 C ATOM 0 H LEU A 48 13.252 11.191 -16.040 1.00 0.00 H new ATOM 0 HA LEU A 48 12.100 9.194 -17.764 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.456 9.205 -15.052 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.749 7.743 -15.712 1.00 0.00 H new ATOM 0 HG LEU A 48 14.872 9.368 -17.145 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.463 7.643 -16.411 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.769 8.530 -15.033 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.188 6.892 -15.421 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.140 7.310 -18.473 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.812 6.553 -17.561 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.490 7.963 -18.598 1.00 0.00 H new ATOM 737 N LYS A 49 9.844 8.913 -16.880 1.00 0.00 N ATOM 738 CA LYS A 49 8.481 8.687 -16.428 1.00 0.00 C ATOM 739 C LYS A 49 7.985 7.343 -16.950 1.00 0.00 C ATOM 740 O LYS A 49 8.558 6.790 -17.888 1.00 0.00 O ATOM 741 CB LYS A 49 7.557 9.814 -16.906 1.00 0.00 C ATOM 742 CG LYS A 49 7.964 11.197 -16.417 1.00 0.00 C ATOM 743 CD LYS A 49 6.776 12.149 -16.379 1.00 0.00 C ATOM 744 CE LYS A 49 7.143 13.471 -15.720 1.00 0.00 C ATOM 745 NZ LYS A 49 6.042 14.472 -15.813 1.00 0.00 N ATOM 0 H LYS A 49 9.997 8.690 -17.863 1.00 0.00 H new ATOM 0 HA LYS A 49 8.470 8.677 -15.338 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.537 9.816 -17.996 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.542 9.605 -16.569 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.400 11.118 -15.421 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.736 11.603 -17.071 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.423 12.333 -17.394 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.954 11.685 -15.834 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.386 13.297 -14.672 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.039 13.874 -16.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.337 15.356 -15.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.826 14.659 -16.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.194 14.100 -15.340 1.00 0.00 H new ATOM 759 N TRP A 50 6.928 6.814 -16.348 1.00 0.00 N ATOM 760 CA TRP A 50 6.388 5.524 -16.772 1.00 0.00 C ATOM 761 C TRP A 50 5.363 5.687 -17.896 1.00 0.00 C ATOM 762 O TRP A 50 4.350 6.367 -17.736 1.00 0.00 O ATOM 763 CB TRP A 50 5.765 4.795 -15.581 1.00 0.00 C ATOM 764 CG TRP A 50 6.797 4.184 -14.685 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.555 3.080 -14.947 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.202 4.652 -13.395 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.407 2.834 -13.899 1.00 0.00 N ATOM 768 CE2 TRP A 50 8.205 3.782 -12.934 1.00 0.00 C ATOM 769 CE3 TRP A 50 6.812 5.719 -12.583 1.00 0.00 C ATOM 770 CZ2 TRP A 50 8.826 3.949 -11.703 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.431 5.881 -11.359 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.426 4.999 -10.929 1.00 0.00 C ATOM 0 H TRP A 50 6.430 7.251 -15.572 1.00 0.00 H new ATOM 0 HA TRP A 50 7.213 4.927 -17.161 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.157 5.495 -15.007 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.096 4.015 -15.945 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.494 2.487 -15.847 1.00 0.00 H new ATOM 0 HE1 TRP A 50 9.080 2.070 -13.848 1.00 0.00 H new ATOM 0 HE3 TRP A 50 6.042 6.404 -12.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.598 3.272 -11.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.141 6.704 -10.723 1.00 0.00 H new ATOM 0 HH2 TRP A 50 8.888 5.152 -9.965 1.00 0.00 H new ATOM 783 N GLN A 51 5.643 5.054 -19.034 1.00 0.00 N ATOM 784 CA GLN A 51 4.763 5.118 -20.203 1.00 0.00 C ATOM 785 C GLN A 51 5.295 4.198 -21.304 1.00 0.00 C ATOM 786 O GLN A 51 6.508 4.064 -21.462 1.00 0.00 O ATOM 787 CB GLN A 51 4.677 6.564 -20.713 1.00 0.00 C ATOM 788 CG GLN A 51 3.910 6.721 -22.018 1.00 0.00 C ATOM 789 CD GLN A 51 4.052 8.112 -22.610 1.00 0.00 C ATOM 790 OE1 GLN A 51 4.811 8.323 -23.555 1.00 0.00 O ATOM 791 NE2 GLN A 51 3.316 9.070 -22.057 1.00 0.00 N ATOM 0 H GLN A 51 6.479 4.486 -19.173 1.00 0.00 H new ATOM 0 HA GLN A 51 3.764 4.786 -19.919 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.202 7.179 -19.949 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.687 6.950 -20.850 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.268 5.985 -22.737 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.855 6.509 -21.844 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.699 8.852 -21.274 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.368 10.024 -22.415 1.00 0.00 H new ATOM 800 N PRO A 52 4.409 3.532 -22.074 1.00 0.00 N ATOM 801 CA PRO A 52 4.838 2.614 -23.137 1.00 0.00 C ATOM 802 C PRO A 52 5.594 3.317 -24.259 1.00 0.00 C ATOM 803 O PRO A 52 5.070 3.530 -25.353 1.00 0.00 O ATOM 804 CB PRO A 52 3.535 2.003 -23.651 1.00 0.00 C ATOM 805 CG PRO A 52 2.475 2.974 -23.258 1.00 0.00 C ATOM 806 CD PRO A 52 2.938 3.598 -21.968 1.00 0.00 C ATOM 0 HA PRO A 52 5.541 1.871 -22.760 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.563 1.865 -24.732 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.357 1.023 -23.209 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.335 3.732 -24.029 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.516 2.472 -23.126 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.587 4.625 -21.868 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.571 3.050 -21.100 1.00 0.00 H new ATOM 814 N SER A 53 6.839 3.650 -23.966 1.00 0.00 N ATOM 815 CA SER A 53 7.731 4.311 -24.907 1.00 0.00 C ATOM 816 C SER A 53 9.150 4.215 -24.369 1.00 0.00 C ATOM 817 O SER A 53 9.377 4.440 -23.182 1.00 0.00 O ATOM 818 CB SER A 53 7.325 5.771 -25.104 1.00 0.00 C ATOM 819 OG SER A 53 6.922 6.355 -23.878 1.00 0.00 O ATOM 0 H SER A 53 7.265 3.467 -23.058 1.00 0.00 H new ATOM 0 HA SER A 53 7.670 3.822 -25.879 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.162 6.332 -25.521 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.510 5.832 -25.825 1.00 0.00 H new ATOM 0 HG SER A 53 6.192 6.988 -24.042 1.00 0.00 H new ATOM 825 N ASN A 54 10.100 3.843 -25.217 1.00 0.00 N ATOM 826 CA ASN A 54 11.482 3.686 -24.764 1.00 0.00 C ATOM 827 C ASN A 54 12.215 5.016 -24.688 1.00 0.00 C ATOM 828 O ASN A 54 12.546 5.622 -25.708 1.00 0.00 O ATOM 829 CB ASN A 54 12.264 2.720 -25.663 1.00 0.00 C ATOM 830 CG ASN A 54 11.405 1.634 -26.290 1.00 0.00 C ATOM 831 OD1 ASN A 54 10.307 1.339 -25.819 1.00 0.00 O ATOM 832 ND2 ASN A 54 11.910 1.030 -27.363 1.00 0.00 N ATOM 0 H ASN A 54 9.947 3.647 -26.206 1.00 0.00 H new ATOM 0 HA ASN A 54 11.426 3.267 -23.759 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.750 3.289 -26.456 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.054 2.252 -25.076 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.382 0.291 -27.828 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.825 1.306 -27.720 1.00 0.00 H new ATOM 839 N PHE A 55 12.492 5.446 -23.462 1.00 0.00 N ATOM 840 CA PHE A 55 13.218 6.684 -23.220 1.00 0.00 C ATOM 841 C PHE A 55 14.493 6.735 -24.068 1.00 0.00 C ATOM 842 O PHE A 55 14.965 7.807 -24.445 1.00 0.00 O ATOM 843 CB PHE A 55 13.566 6.806 -21.734 1.00 0.00 C ATOM 844 CG PHE A 55 14.385 5.666 -21.198 1.00 0.00 C ATOM 845 CD1 PHE A 55 13.776 4.518 -20.713 1.00 0.00 C ATOM 846 CD2 PHE A 55 15.765 5.751 -21.167 1.00 0.00 C ATOM 847 CE1 PHE A 55 14.532 3.477 -20.208 1.00 0.00 C ATOM 848 CE2 PHE A 55 16.527 4.714 -20.666 1.00 0.00 C ATOM 849 CZ PHE A 55 15.910 3.576 -20.185 1.00 0.00 C ATOM 0 H PHE A 55 12.221 4.949 -22.614 1.00 0.00 H new ATOM 0 HA PHE A 55 12.581 7.522 -23.505 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.111 7.736 -21.575 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.642 6.876 -21.160 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.699 4.437 -20.730 1.00 0.00 H new ATOM 0 HD2 PHE A 55 16.253 6.640 -21.539 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.047 2.588 -19.832 1.00 0.00 H new ATOM 0 HE2 PHE A 55 17.604 4.793 -20.650 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.504 2.764 -19.791 1.00 0.00 H new ATOM 859 N SER A 56 15.038 5.551 -24.358 1.00 0.00 N ATOM 860 CA SER A 56 16.267 5.410 -25.143 1.00 0.00 C ATOM 861 C SER A 56 16.244 6.215 -26.450 1.00 0.00 C ATOM 862 O SER A 56 17.292 6.451 -27.052 1.00 0.00 O ATOM 863 CB SER A 56 16.510 3.933 -25.460 1.00 0.00 C ATOM 864 OG SER A 56 15.577 3.456 -26.414 1.00 0.00 O ATOM 0 H SER A 56 14.639 4.662 -24.055 1.00 0.00 H new ATOM 0 HA SER A 56 17.077 5.812 -24.534 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.523 3.801 -25.840 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.433 3.344 -24.546 1.00 0.00 H new ATOM 0 HG SER A 56 15.755 2.510 -26.601 1.00 0.00 H new ATOM 870 N GLN A 57 15.058 6.624 -26.896 1.00 0.00 N ATOM 871 CA GLN A 57 14.937 7.380 -28.142 1.00 0.00 C ATOM 872 C GLN A 57 15.675 8.718 -28.052 1.00 0.00 C ATOM 873 O GLN A 57 16.145 9.244 -29.062 1.00 0.00 O ATOM 874 CB GLN A 57 13.461 7.614 -28.476 1.00 0.00 C ATOM 875 CG GLN A 57 12.684 6.331 -28.735 1.00 0.00 C ATOM 876 CD GLN A 57 12.912 5.778 -30.129 1.00 0.00 C ATOM 877 OE1 GLN A 57 13.809 6.223 -30.846 1.00 0.00 O ATOM 878 NE2 GLN A 57 12.099 4.804 -30.524 1.00 0.00 N ATOM 0 H GLN A 57 14.174 6.447 -26.419 1.00 0.00 H new ATOM 0 HA GLN A 57 15.396 6.794 -28.938 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.992 8.153 -27.653 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.393 8.254 -29.356 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.974 5.581 -27.999 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.620 6.521 -28.594 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.368 4.464 -29.898 1.00 0.00 H new ATOM 0 HE22 GLN A 57 12.205 4.396 -31.453 1.00 0.00 H new ATOM 887 N THR A 58 15.786 9.259 -26.840 1.00 0.00 N ATOM 888 CA THR A 58 16.477 10.532 -26.634 1.00 0.00 C ATOM 889 C THR A 58 17.511 10.442 -25.509 1.00 0.00 C ATOM 890 O THR A 58 18.176 11.430 -25.196 1.00 0.00 O ATOM 891 CB THR A 58 15.478 11.635 -26.276 1.00 0.00 C ATOM 892 OG1 THR A 58 15.132 11.561 -24.905 1.00 0.00 O ATOM 893 CG2 THR A 58 14.190 11.581 -27.065 1.00 0.00 C ATOM 0 H THR A 58 15.409 8.839 -25.990 1.00 0.00 H new ATOM 0 HA THR A 58 16.985 10.767 -27.569 1.00 0.00 H new ATOM 0 HB THR A 58 15.989 12.566 -26.521 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.379 12.398 -24.460 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.537 12.396 -26.752 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.410 11.681 -28.128 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.693 10.628 -26.885 1.00 0.00 H new ATOM 901 N CYS A 59 17.623 9.279 -24.876 1.00 0.00 N ATOM 902 CA CYS A 59 18.553 9.115 -23.765 1.00 0.00 C ATOM 903 C CYS A 59 19.741 8.230 -24.125 1.00 0.00 C ATOM 904 O CYS A 59 19.629 7.304 -24.927 1.00 0.00 O ATOM 905 CB CYS A 59 17.822 8.536 -22.554 1.00 0.00 C ATOM 906 SG CYS A 59 16.190 9.288 -22.243 1.00 0.00 S ATOM 0 H CYS A 59 17.087 8.443 -25.110 1.00 0.00 H new ATOM 0 HA CYS A 59 18.946 10.103 -23.525 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.695 7.463 -22.698 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.445 8.667 -21.669 1.00 0.00 H new ATOM 911 N TYR A 60 20.884 8.540 -23.519 1.00 0.00 N ATOM 912 CA TYR A 60 22.120 7.795 -23.750 1.00 0.00 C ATOM 913 C TYR A 60 22.923 7.673 -22.458 1.00 0.00 C ATOM 914 O TYR A 60 22.728 8.447 -21.518 1.00 0.00 O ATOM 915 CB TYR A 60 22.966 8.462 -24.836 1.00 0.00 C ATOM 916 CG TYR A 60 23.469 9.841 -24.469 1.00 0.00 C ATOM 917 CD1 TYR A 60 24.468 10.015 -23.519 1.00 0.00 C ATOM 918 CD2 TYR A 60 22.944 10.969 -25.081 1.00 0.00 C ATOM 919 CE1 TYR A 60 24.928 11.278 -23.191 1.00 0.00 C ATOM 920 CE2 TYR A 60 23.397 12.232 -24.761 1.00 0.00 C ATOM 921 CZ TYR A 60 24.389 12.382 -23.815 1.00 0.00 C ATOM 922 OH TYR A 60 24.843 13.640 -23.494 1.00 0.00 O ATOM 0 H TYR A 60 20.980 9.310 -22.857 1.00 0.00 H new ATOM 0 HA TYR A 60 21.850 6.795 -24.090 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.820 7.823 -25.059 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.375 8.534 -25.749 1.00 0.00 H new ATOM 0 HD1 TYR A 60 24.892 9.151 -23.029 1.00 0.00 H new ATOM 0 HD2 TYR A 60 22.166 10.857 -25.822 1.00 0.00 H new ATOM 0 HE1 TYR A 60 25.705 11.398 -22.450 1.00 0.00 H new ATOM 0 HE2 TYR A 60 22.977 13.099 -25.249 1.00 0.00 H new ATOM 0 HH TYR A 60 24.258 14.313 -23.900 1.00 0.00 H new ATOM 932 N ASN A 61 23.808 6.680 -22.411 1.00 0.00 N ATOM 933 CA ASN A 61 24.637 6.437 -21.233 1.00 0.00 C ATOM 934 C ASN A 61 23.777 6.044 -20.035 1.00 0.00 C ATOM 935 O ASN A 61 23.988 6.519 -18.918 1.00 0.00 O ATOM 936 CB ASN A 61 25.481 7.675 -20.911 1.00 0.00 C ATOM 937 CG ASN A 61 26.694 7.790 -21.816 1.00 0.00 C ATOM 938 OD1 ASN A 61 26.999 6.876 -22.582 1.00 0.00 O ATOM 939 ND2 ASN A 61 27.393 8.916 -21.734 1.00 0.00 N ATOM 0 H ASN A 61 23.970 6.028 -23.179 1.00 0.00 H new ATOM 0 HA ASN A 61 25.309 5.607 -21.451 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.866 8.569 -21.014 1.00 0.00 H new ATOM 0 HB3 ASN A 61 25.807 7.631 -19.872 1.00 0.00 H new ATOM 0 HD21 ASN A 61 28.218 9.048 -22.320 1.00 0.00 H new ATOM 0 HD22 ASN A 61 27.105 9.649 -21.085 1.00 0.00 H new ATOM 946 N SER A 62 22.805 5.169 -20.285 1.00 0.00 N ATOM 947 CA SER A 62 21.908 4.694 -19.240 1.00 0.00 C ATOM 948 C SER A 62 22.650 3.816 -18.245 1.00 0.00 C ATOM 949 O SER A 62 23.457 2.969 -18.624 1.00 0.00 O ATOM 950 CB SER A 62 20.741 3.918 -19.853 1.00 0.00 C ATOM 951 OG SER A 62 19.915 4.765 -20.633 1.00 0.00 O ATOM 0 H SER A 62 22.620 4.775 -21.207 1.00 0.00 H new ATOM 0 HA SER A 62 21.518 5.562 -18.709 1.00 0.00 H new ATOM 0 HB2 SER A 62 21.125 3.109 -20.474 1.00 0.00 H new ATOM 0 HB3 SER A 62 20.150 3.459 -19.060 1.00 0.00 H new ATOM 0 HG SER A 62 19.432 4.230 -21.297 1.00 0.00 H new ATOM 957 N ALA A 63 22.365 4.029 -16.968 1.00 0.00 N ATOM 958 CA ALA A 63 22.998 3.263 -15.905 1.00 0.00 C ATOM 959 C ALA A 63 22.027 2.997 -14.761 1.00 0.00 C ATOM 960 O ALA A 63 21.091 3.765 -14.536 1.00 0.00 O ATOM 961 CB ALA A 63 24.224 3.998 -15.394 1.00 0.00 C ATOM 0 H ALA A 63 21.697 4.728 -16.643 1.00 0.00 H new ATOM 0 HA ALA A 63 23.303 2.300 -16.316 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.691 3.417 -14.599 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.934 4.133 -16.210 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.928 4.973 -15.006 1.00 0.00 H new ATOM 967 N ILE A 64 22.256 1.906 -14.038 1.00 0.00 N ATOM 968 CA ILE A 64 21.400 1.548 -12.920 1.00 0.00 C ATOM 969 C ILE A 64 22.212 1.234 -11.664 1.00 0.00 C ATOM 970 O ILE A 64 23.268 0.605 -11.727 1.00 0.00 O ATOM 971 CB ILE A 64 20.482 0.362 -13.286 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.442 0.842 -14.298 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.795 -0.216 -12.052 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.454 -0.217 -14.714 1.00 0.00 C ATOM 0 H ILE A 64 23.025 1.258 -14.208 1.00 0.00 H new ATOM 0 HA ILE A 64 20.774 2.413 -12.700 1.00 0.00 H new ATOM 0 HB ILE A 64 21.088 -0.433 -13.720 1.00 0.00 H new ATOM 0 HG12 ILE A 64 18.897 1.684 -13.871 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.957 1.212 -15.185 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.157 -1.049 -12.347 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.549 -0.568 -11.348 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.188 0.556 -11.578 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.751 0.204 -15.433 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.986 -1.051 -15.172 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.910 -0.571 -13.838 1.00 0.00 H new ATOM 986 N GLN A 65 21.688 1.676 -10.524 1.00 0.00 N ATOM 987 CA GLN A 65 22.317 1.453 -9.223 1.00 0.00 C ATOM 988 C GLN A 65 21.240 1.062 -8.222 1.00 0.00 C ATOM 989 O GLN A 65 20.422 1.892 -7.824 1.00 0.00 O ATOM 990 CB GLN A 65 23.047 2.713 -8.736 1.00 0.00 C ATOM 991 CG GLN A 65 23.883 3.402 -9.806 1.00 0.00 C ATOM 992 CD GLN A 65 25.116 4.085 -9.241 1.00 0.00 C ATOM 993 OE1 GLN A 65 25.127 5.299 -9.031 1.00 0.00 O ATOM 994 NE2 GLN A 65 26.164 3.307 -8.996 1.00 0.00 N ATOM 0 H GLN A 65 20.814 2.200 -10.475 1.00 0.00 H new ATOM 0 HA GLN A 65 23.054 0.656 -9.318 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.311 3.421 -8.354 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.695 2.444 -7.901 1.00 0.00 H new ATOM 0 HG2 GLN A 65 24.189 2.667 -10.550 1.00 0.00 H new ATOM 0 HG3 GLN A 65 23.268 4.140 -10.321 1.00 0.00 H new ATOM 0 HE21 GLN A 65 26.111 2.306 -9.185 1.00 0.00 H new ATOM 0 HE22 GLN A 65 27.022 3.710 -8.619 1.00 0.00 H new ATOM 1003 N GLY A 66 21.230 -0.207 -7.832 1.00 0.00 N ATOM 1004 CA GLY A 66 20.228 -0.685 -6.899 1.00 0.00 C ATOM 1005 C GLY A 66 18.850 -0.726 -7.531 1.00 0.00 C ATOM 1006 O GLY A 66 18.645 -1.402 -8.540 1.00 0.00 O ATOM 0 H GLY A 66 21.897 -0.913 -8.145 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.499 -1.682 -6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.208 -0.037 -6.023 1.00 0.00 H new ATOM 1010 N SER A 67 17.899 -0.018 -6.932 1.00 0.00 N ATOM 1011 CA SER A 67 16.533 0.007 -7.441 1.00 0.00 C ATOM 1012 C SER A 67 16.238 1.281 -8.234 1.00 0.00 C ATOM 1013 O SER A 67 15.165 1.411 -8.821 1.00 0.00 O ATOM 1014 CB SER A 67 15.546 -0.111 -6.279 1.00 0.00 C ATOM 1015 OG SER A 67 15.373 1.138 -5.632 1.00 0.00 O ATOM 0 H SER A 67 18.048 0.545 -6.095 1.00 0.00 H new ATOM 0 HA SER A 67 16.420 -0.840 -8.118 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.585 -0.470 -6.648 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.908 -0.849 -5.563 1.00 0.00 H new ATOM 0 HG SER A 67 15.011 0.993 -4.733 1.00 0.00 H new ATOM 1021 N VAL A 68 17.187 2.214 -8.261 1.00 0.00 N ATOM 1022 CA VAL A 68 17.002 3.469 -8.995 1.00 0.00 C ATOM 1023 C VAL A 68 17.732 3.450 -10.340 1.00 0.00 C ATOM 1024 O VAL A 68 18.855 2.954 -10.443 1.00 0.00 O ATOM 1025 CB VAL A 68 17.492 4.683 -8.180 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.016 5.979 -8.820 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.019 4.593 -6.737 1.00 0.00 C ATOM 0 H VAL A 68 18.086 2.129 -7.788 1.00 0.00 H new ATOM 0 HA VAL A 68 15.930 3.564 -9.170 1.00 0.00 H new ATOM 0 HB VAL A 68 18.582 4.677 -8.179 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.370 6.826 -8.233 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.410 6.050 -9.834 1.00 0.00 H new ATOM 0 HG13 VAL A 68 15.927 5.990 -8.852 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.377 5.460 -6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.930 4.571 -6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.411 3.684 -6.282 1.00 0.00 H new ATOM 1037 N LEU A 69 17.082 3.994 -11.368 1.00 0.00 N ATOM 1038 CA LEU A 69 17.658 4.046 -12.710 1.00 0.00 C ATOM 1039 C LEU A 69 18.209 5.446 -13.009 1.00 0.00 C ATOM 1040 O LEU A 69 17.508 6.448 -12.851 1.00 0.00 O ATOM 1041 CB LEU A 69 16.593 3.651 -13.748 1.00 0.00 C ATOM 1042 CG LEU A 69 16.888 4.056 -15.199 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.250 3.541 -15.637 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.796 3.545 -16.134 1.00 0.00 C ATOM 0 H LEU A 69 16.152 4.407 -11.296 1.00 0.00 H new ATOM 0 HA LEU A 69 18.486 3.339 -12.766 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.463 2.569 -13.712 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.643 4.097 -13.453 1.00 0.00 H new ATOM 0 HG LEU A 69 16.902 5.145 -15.251 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.438 3.840 -16.668 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.022 3.960 -14.992 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.268 2.453 -15.565 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.024 3.843 -17.157 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.746 2.458 -16.075 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.836 3.969 -15.838 1.00 0.00 H new ATOM 1056 N THR A 70 19.472 5.513 -13.439 1.00 0.00 N ATOM 1057 CA THR A 70 20.113 6.786 -13.760 1.00 0.00 C ATOM 1058 C THR A 70 20.478 6.828 -15.241 1.00 0.00 C ATOM 1059 O THR A 70 21.184 5.950 -15.735 1.00 0.00 O ATOM 1060 CB THR A 70 21.377 6.961 -12.916 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.131 6.615 -11.566 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.927 8.371 -12.938 1.00 0.00 C ATOM 0 H THR A 70 20.070 4.697 -13.572 1.00 0.00 H new ATOM 0 HA THR A 70 19.417 7.596 -13.539 1.00 0.00 H new ATOM 0 HB THR A 70 22.115 6.297 -13.366 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.952 6.732 -11.044 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.823 8.422 -12.319 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.178 8.648 -13.962 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.177 9.060 -12.549 1.00 0.00 H new ATOM 1070 N SER A 71 19.983 7.831 -15.958 1.00 0.00 N ATOM 1071 CA SER A 71 20.261 7.935 -17.388 1.00 0.00 C ATOM 1072 C SER A 71 20.228 9.382 -17.866 1.00 0.00 C ATOM 1073 O SER A 71 19.547 10.222 -17.279 1.00 0.00 O ATOM 1074 CB SER A 71 19.262 7.091 -18.179 1.00 0.00 C ATOM 1075 OG SER A 71 19.235 7.467 -19.544 1.00 0.00 O ATOM 0 H SER A 71 19.395 8.574 -15.581 1.00 0.00 H new ATOM 0 HA SER A 71 21.268 7.556 -17.560 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.527 6.037 -18.095 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.267 7.204 -17.749 1.00 0.00 H new ATOM 0 HG SER A 71 19.428 6.685 -20.103 1.00 0.00 H new ATOM 1081 N THR A 72 20.955 9.669 -18.946 1.00 0.00 N ATOM 1082 CA THR A 72 20.976 11.013 -19.502 1.00 0.00 C ATOM 1083 C THR A 72 19.935 11.127 -20.617 1.00 0.00 C ATOM 1084 O THR A 72 19.926 10.327 -21.554 1.00 0.00 O ATOM 1085 CB THR A 72 22.372 11.333 -20.044 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.373 10.881 -19.149 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.604 12.809 -20.282 1.00 0.00 C ATOM 0 H THR A 72 21.531 8.992 -19.446 1.00 0.00 H new ATOM 0 HA THR A 72 20.733 11.730 -18.718 1.00 0.00 H new ATOM 0 HB THR A 72 22.432 10.816 -21.002 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.258 11.093 -19.514 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.613 12.962 -20.665 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.880 13.179 -21.008 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.487 13.352 -19.344 1.00 0.00 H new ATOM 1095 N CYS A 73 19.045 12.111 -20.508 1.00 0.00 N ATOM 1096 CA CYS A 73 17.994 12.287 -21.508 1.00 0.00 C ATOM 1097 C CYS A 73 17.978 13.694 -22.094 1.00 0.00 C ATOM 1098 O CYS A 73 18.168 14.682 -21.386 1.00 0.00 O ATOM 1099 CB CYS A 73 16.626 11.971 -20.898 1.00 0.00 C ATOM 1100 SG CYS A 73 16.405 10.218 -20.451 1.00 0.00 S ATOM 0 H CYS A 73 19.029 12.791 -19.748 1.00 0.00 H new ATOM 0 HA CYS A 73 18.209 11.593 -22.321 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.486 12.584 -20.007 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.848 12.256 -21.607 1.00 0.00 H new ATOM 1105 N GLU A 74 17.690 13.769 -23.391 1.00 0.00 N ATOM 1106 CA GLU A 74 17.599 15.049 -24.085 1.00 0.00 C ATOM 1107 C GLU A 74 16.309 15.773 -23.715 1.00 0.00 C ATOM 1108 O GLU A 74 15.248 15.154 -23.630 1.00 0.00 O ATOM 1109 CB GLU A 74 17.654 14.852 -25.601 1.00 0.00 C ATOM 1110 CG GLU A 74 17.711 16.159 -26.375 1.00 0.00 C ATOM 1111 CD GLU A 74 17.027 16.067 -27.723 1.00 0.00 C ATOM 1112 OE1 GLU A 74 17.603 15.443 -28.639 1.00 0.00 O ATOM 1113 OE2 GLU A 74 15.916 16.618 -27.863 1.00 0.00 O ATOM 0 H GLU A 74 17.516 12.957 -23.983 1.00 0.00 H new ATOM 0 HA GLU A 74 18.451 15.654 -23.774 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.528 14.251 -25.851 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.778 14.287 -25.919 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.241 16.947 -25.786 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.752 16.447 -26.519 1.00 0.00 H new ATOM 1120 N ARG A 75 16.393 17.080 -23.504 1.00 0.00 N ATOM 1121 CA ARG A 75 15.216 17.865 -23.157 1.00 0.00 C ATOM 1122 C ARG A 75 14.555 18.422 -24.409 1.00 0.00 C ATOM 1123 O ARG A 75 15.234 18.771 -25.374 1.00 0.00 O ATOM 1124 CB ARG A 75 15.588 19.013 -22.219 1.00 0.00 C ATOM 1125 CG ARG A 75 16.371 18.570 -20.996 1.00 0.00 C ATOM 1126 CD ARG A 75 16.407 19.653 -19.927 1.00 0.00 C ATOM 1127 NE ARG A 75 15.201 19.641 -19.097 1.00 0.00 N ATOM 1128 CZ ARG A 75 15.047 20.370 -17.989 1.00 0.00 C ATOM 1129 NH1 ARG A 75 16.016 21.173 -17.569 1.00 0.00 N ATOM 1130 NH2 ARG A 75 13.917 20.292 -17.297 1.00 0.00 N ATOM 0 H ARG A 75 17.258 17.616 -23.567 1.00 0.00 H new ATOM 0 HA ARG A 75 14.513 17.206 -22.647 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.177 19.746 -22.771 1.00 0.00 H new ATOM 0 HB3 ARG A 75 14.677 19.515 -21.894 1.00 0.00 H new ATOM 0 HG2 ARG A 75 15.921 17.667 -20.584 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.389 18.314 -21.289 1.00 0.00 H new ATOM 0 HD2 ARG A 75 17.284 19.511 -19.295 1.00 0.00 H new ATOM 0 HD3 ARG A 75 16.511 20.629 -20.402 1.00 0.00 H new ATOM 0 HE ARG A 75 14.430 19.038 -19.383 1.00 0.00 H new ATOM 0 HH11 ARG A 75 16.888 21.238 -18.094 1.00 0.00 H new ATOM 0 HH12 ARG A 75 15.889 21.726 -16.721 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.168 19.676 -17.612 1.00 0.00 H new ATOM 0 HH22 ARG A 75 13.798 20.848 -16.450 1.00 0.00 H new ATOM 1144 N THR A 76 13.227 18.497 -24.395 1.00 0.00 N ATOM 1145 CA THR A 76 12.478 19.010 -25.536 1.00 0.00 C ATOM 1146 C THR A 76 12.996 20.381 -25.970 1.00 0.00 C ATOM 1147 O THR A 76 12.887 20.751 -27.139 1.00 0.00 O ATOM 1148 CB THR A 76 10.988 19.095 -25.192 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.526 17.866 -24.660 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.113 19.436 -26.379 1.00 0.00 C ATOM 0 H THR A 76 12.648 18.209 -23.606 1.00 0.00 H new ATOM 0 HA THR A 76 12.616 18.319 -26.368 1.00 0.00 H new ATOM 0 HB THR A 76 10.909 19.900 -24.461 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.879 18.042 -23.945 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.071 19.479 -26.062 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.410 20.403 -26.784 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.227 18.671 -27.147 1.00 0.00 H new ATOM 1158 N ASN A 77 13.563 21.132 -25.025 1.00 0.00 N ATOM 1159 CA ASN A 77 14.099 22.458 -25.327 1.00 0.00 C ATOM 1160 C ASN A 77 15.505 22.364 -25.924 1.00 0.00 C ATOM 1161 O ASN A 77 16.141 23.383 -26.198 1.00 0.00 O ATOM 1162 CB ASN A 77 14.135 23.325 -24.065 1.00 0.00 C ATOM 1163 CG ASN A 77 13.987 24.806 -24.367 1.00 0.00 C ATOM 1164 OD1 ASN A 77 14.877 25.424 -24.954 1.00 0.00 O ATOM 1165 ND2 ASN A 77 12.859 25.383 -23.967 1.00 0.00 N ATOM 0 H ASN A 77 13.662 20.847 -24.051 1.00 0.00 H new ATOM 0 HA ASN A 77 13.439 22.920 -26.062 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.336 23.014 -23.392 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.076 23.158 -23.541 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.704 26.376 -24.143 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.148 24.833 -23.484 1.00 0.00 H new ATOM 1172 N GLY A 78 15.987 21.139 -26.119 1.00 0.00 N ATOM 1173 CA GLY A 78 17.311 20.938 -26.676 1.00 0.00 C ATOM 1174 C GLY A 78 18.383 20.847 -25.615 1.00 0.00 C ATOM 1175 O GLY A 78 18.389 21.609 -24.647 1.00 0.00 O ATOM 0 H GLY A 78 15.481 20.281 -25.900 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.316 20.024 -27.270 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.544 21.760 -27.353 1.00 0.00 H new ATOM 1179 N GLY A 79 19.272 19.890 -25.799 1.00 0.00 N ATOM 1180 CA GLY A 79 20.345 19.663 -24.853 1.00 0.00 C ATOM 1181 C GLY A 79 20.217 18.305 -24.193 1.00 0.00 C ATOM 1182 O GLY A 79 19.405 17.488 -24.625 1.00 0.00 O ATOM 0 H GLY A 79 19.271 19.256 -26.598 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.305 19.732 -25.365 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.333 20.443 -24.091 1.00 0.00 H new ATOM 1186 N TYR A 80 21.019 18.051 -23.163 1.00 0.00 N ATOM 1187 CA TYR A 80 20.977 16.766 -22.468 1.00 0.00 C ATOM 1188 C TYR A 80 20.888 16.958 -20.956 1.00 0.00 C ATOM 1189 O TYR A 80 21.489 17.876 -20.396 1.00 0.00 O ATOM 1190 CB TYR A 80 22.212 15.935 -22.830 1.00 0.00 C ATOM 1191 CG TYR A 80 22.461 15.861 -24.322 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.511 15.320 -25.179 1.00 0.00 C ATOM 1193 CD2 TYR A 80 23.638 16.351 -24.874 1.00 0.00 C ATOM 1194 CE1 TYR A 80 21.726 15.270 -26.544 1.00 0.00 C ATOM 1195 CE2 TYR A 80 23.862 16.301 -26.236 1.00 0.00 C ATOM 1196 CZ TYR A 80 22.903 15.762 -27.067 1.00 0.00 C ATOM 1197 OH TYR A 80 23.120 15.718 -28.425 1.00 0.00 O ATOM 0 H TYR A 80 21.702 18.712 -22.792 1.00 0.00 H new ATOM 0 HA TYR A 80 20.082 16.233 -22.789 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.087 16.364 -22.342 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.091 14.925 -22.437 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.589 14.932 -24.772 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.390 16.778 -24.227 1.00 0.00 H new ATOM 0 HE1 TYR A 80 20.976 14.848 -27.197 1.00 0.00 H new ATOM 0 HE2 TYR A 80 24.784 16.683 -26.648 1.00 0.00 H new ATOM 0 HH TYR A 80 23.997 16.106 -28.629 1.00 0.00 H new ATOM 1207 N ASN A 81 20.117 16.092 -20.304 1.00 0.00 N ATOM 1208 CA ASN A 81 19.929 16.161 -18.859 1.00 0.00 C ATOM 1209 C ASN A 81 19.579 14.784 -18.300 1.00 0.00 C ATOM 1210 O ASN A 81 18.695 14.102 -18.816 1.00 0.00 O ATOM 1211 CB ASN A 81 18.825 17.165 -18.519 1.00 0.00 C ATOM 1212 CG ASN A 81 18.894 17.635 -17.080 1.00 0.00 C ATOM 1213 OD1 ASN A 81 19.971 17.926 -16.560 1.00 0.00 O ATOM 1214 ND2 ASN A 81 17.740 17.713 -16.429 1.00 0.00 N ATOM 0 H ASN A 81 19.610 15.331 -20.757 1.00 0.00 H new ATOM 0 HA ASN A 81 20.861 16.494 -18.403 1.00 0.00 H new ATOM 0 HB2 ASN A 81 18.903 18.026 -19.183 1.00 0.00 H new ATOM 0 HB3 ASN A 81 17.853 16.708 -18.703 1.00 0.00 H new ATOM 0 HD21 ASN A 81 17.722 18.024 -15.458 1.00 0.00 H new ATOM 0 HD22 ASN A 81 16.871 17.462 -16.900 1.00 0.00 H new ATOM 1221 N THR A 82 20.289 14.374 -17.253 1.00 0.00 N ATOM 1222 CA THR A 82 20.063 13.070 -16.633 1.00 0.00 C ATOM 1223 C THR A 82 19.086 13.161 -15.467 1.00 0.00 C ATOM 1224 O THR A 82 19.184 14.055 -14.624 1.00 0.00 O ATOM 1225 CB THR A 82 21.379 12.443 -16.173 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.130 11.344 -15.316 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.284 13.402 -15.436 1.00 0.00 C ATOM 0 H THR A 82 21.027 14.926 -16.815 1.00 0.00 H new ATOM 0 HA THR A 82 19.619 12.428 -17.394 1.00 0.00 H new ATOM 0 HB THR A 82 21.884 12.133 -17.088 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.465 10.753 -15.727 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.198 12.886 -15.141 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.534 14.239 -16.087 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.774 13.773 -14.547 1.00 0.00 H new ATOM 1235 N SER A 83 18.142 12.223 -15.425 1.00 0.00 N ATOM 1236 CA SER A 83 17.138 12.175 -14.372 1.00 0.00 C ATOM 1237 C SER A 83 17.194 10.829 -13.644 1.00 0.00 C ATOM 1238 O SER A 83 17.707 9.840 -14.179 1.00 0.00 O ATOM 1239 CB SER A 83 15.743 12.394 -14.963 1.00 0.00 C ATOM 1240 OG SER A 83 15.413 11.365 -15.879 1.00 0.00 O ATOM 0 H SER A 83 18.054 11.480 -16.118 1.00 0.00 H new ATOM 0 HA SER A 83 17.347 12.969 -13.656 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.005 12.423 -14.161 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.705 13.360 -15.466 1.00 0.00 H new ATOM 0 HG SER A 83 15.091 11.762 -16.715 1.00 0.00 H new ATOM 1246 N SER A 84 16.674 10.799 -12.421 1.00 0.00 N ATOM 1247 CA SER A 84 16.669 9.577 -11.627 1.00 0.00 C ATOM 1248 C SER A 84 15.247 9.202 -11.217 1.00 0.00 C ATOM 1249 O SER A 84 14.410 10.070 -10.975 1.00 0.00 O ATOM 1250 CB SER A 84 17.549 9.745 -10.386 1.00 0.00 C ATOM 1251 OG SER A 84 18.914 9.883 -10.742 1.00 0.00 O ATOM 0 H SER A 84 16.252 11.605 -11.960 1.00 0.00 H new ATOM 0 HA SER A 84 17.074 8.771 -12.240 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.226 10.621 -9.824 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.427 8.883 -9.730 1.00 0.00 H new ATOM 0 HG SER A 84 19.454 9.991 -9.931 1.00 0.00 H new ATOM 1257 N ILE A 85 14.983 7.901 -11.140 1.00 0.00 N ATOM 1258 CA ILE A 85 13.662 7.408 -10.759 1.00 0.00 C ATOM 1259 C ILE A 85 13.768 6.088 -9.997 1.00 0.00 C ATOM 1260 O ILE A 85 14.617 5.252 -10.307 1.00 0.00 O ATOM 1261 CB ILE A 85 12.756 7.225 -11.998 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.332 6.840 -11.575 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.346 6.181 -12.934 1.00 0.00 C ATOM 1264 CD1 ILE A 85 10.388 6.602 -12.739 1.00 0.00 C ATOM 0 H ILE A 85 15.666 7.169 -11.336 1.00 0.00 H new ATOM 0 HA ILE A 85 13.212 8.156 -10.105 1.00 0.00 H new ATOM 0 HB ILE A 85 12.703 8.173 -12.533 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.376 5.938 -10.965 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.924 7.631 -10.945 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.697 6.063 -13.802 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.335 6.503 -13.261 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.429 5.229 -12.411 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.402 6.334 -12.359 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.312 7.510 -13.337 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.771 5.791 -13.358 1.00 0.00 H new ATOM 1276 N ASP A 86 12.898 5.905 -9.005 1.00 0.00 N ATOM 1277 CA ASP A 86 12.892 4.682 -8.199 1.00 0.00 C ATOM 1278 C ASP A 86 11.842 3.698 -8.718 1.00 0.00 C ATOM 1279 O ASP A 86 10.655 4.016 -8.767 1.00 0.00 O ATOM 1280 CB ASP A 86 12.620 5.016 -6.730 1.00 0.00 C ATOM 1281 CG ASP A 86 12.654 3.789 -5.840 1.00 0.00 C ATOM 1282 OD1 ASP A 86 11.923 2.820 -6.134 1.00 0.00 O ATOM 1283 OD2 ASP A 86 13.414 3.797 -4.849 1.00 0.00 O ATOM 0 H ASP A 86 12.188 6.587 -8.739 1.00 0.00 H new ATOM 0 HA ASP A 86 13.873 4.214 -8.279 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.361 5.735 -6.381 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.645 5.496 -6.644 1.00 0.00 H new ATOM 1288 N LEU A 87 12.288 2.511 -9.126 1.00 0.00 N ATOM 1289 CA LEU A 87 11.377 1.498 -9.673 1.00 0.00 C ATOM 1290 C LEU A 87 11.008 0.407 -8.661 1.00 0.00 C ATOM 1291 O LEU A 87 10.180 -0.453 -8.955 1.00 0.00 O ATOM 1292 CB LEU A 87 11.985 0.856 -10.917 1.00 0.00 C ATOM 1293 CG LEU A 87 12.728 1.812 -11.849 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.499 1.023 -12.897 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.756 2.785 -12.504 1.00 0.00 C ATOM 0 H LEU A 87 13.266 2.225 -9.090 1.00 0.00 H new ATOM 0 HA LEU A 87 10.456 2.021 -9.930 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.675 0.073 -10.601 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.189 0.371 -11.481 1.00 0.00 H new ATOM 0 HG LEU A 87 13.439 2.394 -11.263 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.026 1.712 -13.557 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.220 0.371 -12.404 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.805 0.420 -13.482 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.304 3.458 -13.164 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.019 2.229 -13.083 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.248 3.366 -11.734 1.00 0.00 H new ATOM 1307 N ASN A 88 11.633 0.417 -7.484 1.00 0.00 N ATOM 1308 CA ASN A 88 11.372 -0.602 -6.460 1.00 0.00 C ATOM 1309 C ASN A 88 9.875 -0.868 -6.284 1.00 0.00 C ATOM 1310 O ASN A 88 9.471 -1.975 -5.925 1.00 0.00 O ATOM 1311 CB ASN A 88 11.970 -0.130 -5.130 1.00 0.00 C ATOM 1312 CG ASN A 88 11.766 -1.112 -3.992 1.00 0.00 C ATOM 1313 OD1 ASN A 88 11.466 -0.717 -2.865 1.00 0.00 O ATOM 1314 ND2 ASN A 88 11.931 -2.396 -4.275 1.00 0.00 N ATOM 0 H ASN A 88 12.323 1.117 -7.213 1.00 0.00 H new ATOM 0 HA ASN A 88 11.834 -1.535 -6.781 1.00 0.00 H new ATOM 0 HB2 ASN A 88 13.038 0.044 -5.262 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.523 0.826 -4.859 1.00 0.00 H new ATOM 0 HD21 ASN A 88 11.809 -3.099 -3.546 1.00 0.00 H new ATOM 0 HD22 ASN A 88 12.180 -2.682 -5.222 1.00 0.00 H new ATOM 1321 N SER A 89 9.058 0.148 -6.532 1.00 0.00 N ATOM 1322 CA SER A 89 7.613 0.013 -6.396 1.00 0.00 C ATOM 1323 C SER A 89 6.967 -0.644 -7.620 1.00 0.00 C ATOM 1324 O SER A 89 6.027 -1.430 -7.483 1.00 0.00 O ATOM 1325 CB SER A 89 6.980 1.381 -6.143 1.00 0.00 C ATOM 1326 OG SER A 89 5.721 1.251 -5.505 1.00 0.00 O ATOM 0 H SER A 89 9.370 1.073 -6.828 1.00 0.00 H new ATOM 0 HA SER A 89 7.431 -0.642 -5.544 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.644 1.984 -5.524 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.859 1.910 -7.089 1.00 0.00 H new ATOM 0 HG SER A 89 5.338 2.140 -5.353 1.00 0.00 H new ATOM 1332 N VAL A 90 7.445 -0.293 -8.813 1.00 0.00 N ATOM 1333 CA VAL A 90 6.885 -0.835 -10.049 1.00 0.00 C ATOM 1334 C VAL A 90 7.264 -2.305 -10.270 1.00 0.00 C ATOM 1335 O VAL A 90 6.393 -3.144 -10.503 1.00 0.00 O ATOM 1336 CB VAL A 90 7.281 0.022 -11.280 1.00 0.00 C ATOM 1337 CG1 VAL A 90 7.141 1.499 -10.959 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.701 -0.270 -11.745 1.00 0.00 C ATOM 0 H VAL A 90 8.215 0.361 -8.949 1.00 0.00 H new ATOM 0 HA VAL A 90 5.802 -0.792 -9.937 1.00 0.00 H new ATOM 0 HB VAL A 90 6.603 -0.243 -12.091 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.422 2.089 -11.831 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.107 1.717 -10.691 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.793 1.753 -10.124 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.936 0.352 -12.609 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.400 -0.050 -10.938 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.784 -1.321 -12.021 1.00 0.00 H new ATOM 1348 N ILE A 91 8.553 -2.615 -10.199 1.00 0.00 N ATOM 1349 CA ILE A 91 9.016 -3.987 -10.392 1.00 0.00 C ATOM 1350 C ILE A 91 8.885 -4.792 -9.095 1.00 0.00 C ATOM 1351 O ILE A 91 8.998 -4.248 -7.995 1.00 0.00 O ATOM 1352 CB ILE A 91 10.472 -4.020 -10.929 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.532 -3.373 -12.322 1.00 0.00 C ATOM 1354 CG2 ILE A 91 11.015 -5.445 -10.985 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.207 -2.017 -12.330 1.00 0.00 C ATOM 0 H ILE A 91 9.294 -1.940 -10.010 1.00 0.00 H new ATOM 0 HA ILE A 91 8.380 -4.453 -11.144 1.00 0.00 H new ATOM 0 HB ILE A 91 11.098 -3.453 -10.240 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.065 -4.039 -13.001 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.518 -3.268 -12.709 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.036 -5.430 -11.366 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.007 -5.877 -9.984 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.390 -6.047 -11.645 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.214 -1.620 -13.345 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.662 -1.335 -11.677 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.232 -2.119 -11.973 1.00 0.00 H new ATOM 1367 N GLU A 92 8.612 -6.087 -9.240 1.00 0.00 N ATOM 1368 CA GLU A 92 8.421 -6.981 -8.099 1.00 0.00 C ATOM 1369 C GLU A 92 9.108 -8.313 -8.358 1.00 0.00 C ATOM 1370 O GLU A 92 9.484 -8.605 -9.491 1.00 0.00 O ATOM 1371 CB GLU A 92 6.925 -7.233 -7.896 1.00 0.00 C ATOM 1372 CG GLU A 92 6.546 -7.606 -6.473 1.00 0.00 C ATOM 1373 CD GLU A 92 5.221 -7.004 -6.050 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.332 -6.859 -6.916 1.00 0.00 O ATOM 1375 OE2 GLU A 92 5.072 -6.677 -4.854 1.00 0.00 O ATOM 0 H GLU A 92 8.517 -6.545 -10.147 1.00 0.00 H new ATOM 0 HA GLU A 92 8.850 -6.516 -7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.374 -6.338 -8.184 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.608 -8.032 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.493 -8.691 -6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.328 -7.270 -5.792 1.00 0.00 H new ATOM 1382 N ASN A 93 9.276 -9.127 -7.318 1.00 0.00 N ATOM 1383 CA ASN A 93 9.922 -10.423 -7.478 1.00 0.00 C ATOM 1384 C ASN A 93 8.889 -11.543 -7.391 1.00 0.00 C ATOM 1385 O ASN A 93 8.477 -11.948 -6.304 1.00 0.00 O ATOM 1386 CB ASN A 93 10.997 -10.603 -6.402 1.00 0.00 C ATOM 1387 CG ASN A 93 11.647 -11.972 -6.438 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.882 -12.537 -7.508 1.00 0.00 O ATOM 1389 ND2 ASN A 93 11.942 -12.511 -5.261 1.00 0.00 N ATOM 0 H ASN A 93 8.977 -8.914 -6.367 1.00 0.00 H new ATOM 0 HA ASN A 93 10.394 -10.466 -8.459 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.764 -9.839 -6.531 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.551 -10.444 -5.420 1.00 0.00 H new ATOM 0 HD21 ASN A 93 12.382 -13.430 -5.217 1.00 0.00 H new ATOM 0 HD22 ASN A 93 11.729 -12.006 -4.401 1.00 0.00 H new ATOM 1396 N VAL A 94 8.484 -12.036 -8.557 1.00 0.00 N ATOM 1397 CA VAL A 94 7.506 -13.114 -8.651 1.00 0.00 C ATOM 1398 C VAL A 94 8.197 -14.459 -8.858 1.00 0.00 C ATOM 1399 O VAL A 94 8.517 -14.830 -9.988 1.00 0.00 O ATOM 1400 CB VAL A 94 6.513 -12.861 -9.804 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.426 -13.926 -9.831 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.902 -11.473 -9.678 1.00 0.00 C ATOM 0 H VAL A 94 8.823 -11.702 -9.459 1.00 0.00 H new ATOM 0 HA VAL A 94 6.955 -13.139 -7.711 1.00 0.00 H new ATOM 0 HB VAL A 94 7.060 -12.917 -10.745 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.739 -13.724 -10.653 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.881 -14.907 -9.971 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.878 -13.911 -8.889 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.203 -11.307 -10.498 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.373 -11.393 -8.728 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.692 -10.723 -9.717 1.00 0.00 H new ATOM 1412 N ASP A 95 8.426 -15.191 -7.769 1.00 0.00 N ATOM 1413 CA ASP A 95 9.079 -16.495 -7.842 1.00 0.00 C ATOM 1414 C ASP A 95 10.393 -16.422 -8.613 1.00 0.00 C ATOM 1415 O ASP A 95 10.787 -17.384 -9.270 1.00 0.00 O ATOM 1416 CB ASP A 95 8.148 -17.521 -8.490 1.00 0.00 C ATOM 1417 CG ASP A 95 8.576 -18.951 -8.217 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.287 -19.178 -7.215 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.199 -19.844 -9.004 1.00 0.00 O ATOM 0 H ASP A 95 8.168 -14.902 -6.825 1.00 0.00 H new ATOM 0 HA ASP A 95 9.304 -16.808 -6.823 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.134 -17.372 -8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.121 -17.353 -9.567 1.00 0.00 H new ATOM 1424 N GLY A 96 11.077 -15.287 -8.515 1.00 0.00 N ATOM 1425 CA GLY A 96 12.356 -15.131 -9.195 1.00 0.00 C ATOM 1426 C GLY A 96 12.245 -14.468 -10.554 1.00 0.00 C ATOM 1427 O GLY A 96 13.064 -14.718 -11.439 1.00 0.00 O ATOM 0 H GLY A 96 10.773 -14.474 -7.980 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.023 -14.541 -8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.816 -16.112 -9.315 1.00 0.00 H new ATOM 1431 N SER A 97 11.239 -13.621 -10.729 1.00 0.00 N ATOM 1432 CA SER A 97 11.049 -12.930 -11.996 1.00 0.00 C ATOM 1433 C SER A 97 10.586 -11.497 -11.762 1.00 0.00 C ATOM 1434 O SER A 97 9.700 -11.248 -10.947 1.00 0.00 O ATOM 1435 CB SER A 97 10.035 -13.676 -12.867 1.00 0.00 C ATOM 1436 OG SER A 97 10.650 -14.750 -13.559 1.00 0.00 O ATOM 0 H SER A 97 10.547 -13.397 -10.014 1.00 0.00 H new ATOM 0 HA SER A 97 12.006 -12.905 -12.517 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.226 -14.057 -12.244 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.588 -12.986 -13.583 1.00 0.00 H new ATOM 0 HG SER A 97 11.496 -14.980 -13.121 1.00 0.00 H new ATOM 1442 N LEU A 98 11.195 -10.554 -12.472 1.00 0.00 N ATOM 1443 CA LEU A 98 10.838 -9.149 -12.323 1.00 0.00 C ATOM 1444 C LEU A 98 9.489 -8.866 -12.968 1.00 0.00 C ATOM 1445 O LEU A 98 9.300 -9.104 -14.160 1.00 0.00 O ATOM 1446 CB LEU A 98 11.913 -8.253 -12.938 1.00 0.00 C ATOM 1447 CG LEU A 98 13.306 -8.434 -12.343 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.300 -7.499 -13.011 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.267 -8.188 -10.846 1.00 0.00 C ATOM 0 H LEU A 98 11.933 -10.735 -13.152 1.00 0.00 H new ATOM 0 HA LEU A 98 10.767 -8.929 -11.258 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.961 -8.449 -14.009 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.613 -7.212 -12.817 1.00 0.00 H new ATOM 0 HG LEU A 98 13.631 -9.459 -12.522 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.287 -7.644 -12.572 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.342 -7.715 -14.079 1.00 0.00 H new ATOM 0 HD13 LEU A 98 13.985 -6.466 -12.862 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.266 -8.319 -10.430 1.00 0.00 H new ATOM 0 HD22 LEU A 98 12.924 -7.171 -10.653 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.583 -8.896 -10.379 1.00 0.00 H new ATOM 1461 N LYS A 99 8.543 -8.387 -12.165 1.00 0.00 N ATOM 1462 CA LYS A 99 7.196 -8.102 -12.651 1.00 0.00 C ATOM 1463 C LYS A 99 6.762 -6.673 -12.346 1.00 0.00 C ATOM 1464 O LYS A 99 7.043 -6.138 -11.275 1.00 0.00 O ATOM 1465 CB LYS A 99 6.204 -9.085 -12.025 1.00 0.00 C ATOM 1466 CG LYS A 99 6.154 -10.433 -12.731 1.00 0.00 C ATOM 1467 CD LYS A 99 4.722 -10.867 -13.020 1.00 0.00 C ATOM 1468 CE LYS A 99 4.656 -12.327 -13.449 1.00 0.00 C ATOM 1469 NZ LYS A 99 3.437 -12.620 -14.257 1.00 0.00 N ATOM 0 H LYS A 99 8.684 -8.188 -11.175 1.00 0.00 H new ATOM 0 HA LYS A 99 7.208 -8.217 -13.735 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.471 -9.241 -10.980 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.209 -8.641 -12.037 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.712 -10.375 -13.666 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.644 -11.185 -12.113 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.110 -10.720 -12.130 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.301 -10.237 -13.804 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.544 -12.574 -14.031 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.667 -12.965 -12.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.433 -13.624 -14.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.588 -12.410 -13.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.439 -12.031 -15.114 1.00 0.00 H new ATOM 1483 N TYR A 100 6.063 -6.067 -13.301 1.00 0.00 N ATOM 1484 CA TYR A 100 5.570 -4.706 -13.145 1.00 0.00 C ATOM 1485 C TYR A 100 4.287 -4.699 -12.321 1.00 0.00 C ATOM 1486 O TYR A 100 3.187 -4.556 -12.858 1.00 0.00 O ATOM 1487 CB TYR A 100 5.327 -4.067 -14.514 1.00 0.00 C ATOM 1488 CG TYR A 100 5.217 -2.563 -14.461 1.00 0.00 C ATOM 1489 CD1 TYR A 100 4.014 -1.947 -14.148 1.00 0.00 C ATOM 1490 CD2 TYR A 100 6.320 -1.760 -14.718 1.00 0.00 C ATOM 1491 CE1 TYR A 100 3.912 -0.571 -14.093 1.00 0.00 C ATOM 1492 CE2 TYR A 100 6.227 -0.383 -14.664 1.00 0.00 C ATOM 1493 CZ TYR A 100 5.021 0.207 -14.351 1.00 0.00 C ATOM 1494 OH TYR A 100 4.925 1.578 -14.293 1.00 0.00 O ATOM 0 H TYR A 100 5.826 -6.500 -14.193 1.00 0.00 H new ATOM 0 HA TYR A 100 6.325 -4.121 -12.619 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.141 -4.341 -15.185 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.411 -4.476 -14.941 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.144 -2.553 -13.944 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.266 -2.219 -14.964 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.968 -0.106 -13.849 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.094 0.228 -14.866 1.00 0.00 H new ATOM 0 HH TYR A 100 5.792 1.976 -14.515 1.00 0.00 H new