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 33 THR OG1 : rot 70:sc= -0.714 USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 62 SER OG : rot 140:sc= 0.259 USER MOD Set 2.2: A 71 SER OG : rot 121:sc= 0.154 USER MOD Set 3.1: A 51 GLN : amide:sc= -0.0306 X(o=-2.7,f=-2.6) USER MOD Set 3.2: A 53 SER OG : rot 180:sc= -2.63! USER MOD Set 4.1: A 43 ASN : amide:sc= -4.16! C(o=-7!,f=-6.8!) USER MOD Set 4.2: A 58 THR OG1 : rot 110:sc= -2.87! USER MOD Set 5.1: A 7 THR OG1 : rot -160:sc= 0 USER MOD Set 5.2: A 93 ASN : amide:sc= -0.773! C(o=-0.77!,f=-8!) USER MOD Single : A 10 ASN : amide:sc= -7.56! C(o=-7.6!,f=-17!) USER MOD Single : A 11 THR OG1 : rot -80:sc= -1.43 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 26:sc= -1.81! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 32 SER OG : rot 180:sc=-0.00182 USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.00234) USER MOD Single : A 36 ASN : amide:sc= -4.61 K(o=-4.6,f=-6.4!) USER MOD Single : A 40 HIS :FLIP no HE2:sc= -4.41 F(o=-5.2,f=-4.4) 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= -3.77 K(o=-3.8,f=-9!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc=-0.00693 K(o=-0.0069,f=-1.5) USER MOD Single : A 60 TYR OH : rot -20:sc= 1.51 USER MOD Single : A 61 ASN : amide:sc=-0.00465 K(o=-0.0047,f=-1.3) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.14) 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 116:sc= -0.422! 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 46:sc= 0.906 USER MOD Single : A 83 SER OG : rot -120:sc= -0.0581 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -4.77! C(o=-6.8!,f=-4.8!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A 4 11.115 -4.829 -5.030 1.00 0.00 N ATOM 59 CA PHE A 4 11.883 -5.882 -5.699 1.00 0.00 C ATOM 60 C PHE A 4 13.355 -5.858 -5.280 1.00 0.00 C ATOM 61 O PHE A 4 13.975 -6.907 -5.106 1.00 0.00 O ATOM 62 CB PHE A 4 11.765 -5.737 -7.223 1.00 0.00 C ATOM 63 CG PHE A 4 12.655 -4.675 -7.807 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.245 -3.354 -7.849 1.00 0.00 C ATOM 65 CD2 PHE A 4 13.904 -5.002 -8.308 1.00 0.00 C ATOM 66 CE1 PHE A 4 13.065 -2.376 -8.378 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.728 -4.030 -8.840 1.00 0.00 C ATOM 68 CZ PHE A 4 14.309 -2.715 -8.875 1.00 0.00 C ATOM 0 HA PHE A 4 11.465 -6.842 -5.395 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.004 -6.693 -7.688 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.730 -5.509 -7.477 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.273 -3.084 -7.464 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.237 -6.029 -8.282 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.734 -1.348 -8.403 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.699 -4.298 -9.228 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.952 -1.953 -9.290 1.00 0.00 H new ATOM 78 N ILE A 5 13.915 -4.659 -5.129 1.00 0.00 N ATOM 79 CA ILE A 5 15.318 -4.520 -4.743 1.00 0.00 C ATOM 80 C ILE A 5 15.569 -5.050 -3.334 1.00 0.00 C ATOM 81 O ILE A 5 16.714 -5.280 -2.944 1.00 0.00 O ATOM 82 CB ILE A 5 15.777 -3.047 -4.814 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.305 -2.960 -4.769 1.00 0.00 C ATOM 84 CG2 ILE A 5 15.162 -2.234 -3.679 1.00 0.00 C ATOM 85 CD1 ILE A 5 17.974 -3.388 -6.057 1.00 0.00 C ATOM 0 H ILE A 5 13.423 -3.776 -5.267 1.00 0.00 H new ATOM 0 HA ILE A 5 15.895 -5.112 -5.453 1.00 0.00 H new ATOM 0 HB ILE A 5 15.434 -2.627 -5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.596 -1.934 -4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.672 -3.584 -3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.499 -1.200 -3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.075 -2.268 -3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.472 -2.653 -2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.055 -3.300 -5.952 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.713 -4.424 -6.276 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.636 -2.749 -6.873 1.00 0.00 H new ATOM 97 N GLU A 6 14.497 -5.259 -2.579 1.00 0.00 N ATOM 98 CA GLU A 6 14.623 -5.776 -1.221 1.00 0.00 C ATOM 99 C GLU A 6 14.951 -7.268 -1.239 1.00 0.00 C ATOM 100 O GLU A 6 15.540 -7.796 -0.295 1.00 0.00 O ATOM 101 CB GLU A 6 13.334 -5.534 -0.432 1.00 0.00 C ATOM 102 CG GLU A 6 13.193 -4.109 0.079 1.00 0.00 C ATOM 103 CD GLU A 6 13.021 -4.041 1.585 1.00 0.00 C ATOM 104 OE1 GLU A 6 13.910 -4.540 2.307 1.00 0.00 O ATOM 105 OE2 GLU A 6 11.999 -3.488 2.041 1.00 0.00 O ATOM 0 H GLU A 6 13.539 -5.081 -2.880 1.00 0.00 H new ATOM 0 HA GLU A 6 15.440 -5.245 -0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.480 -5.770 -1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.302 -6.220 0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.074 -3.536 -0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.336 -3.638 -0.402 1.00 0.00 H new ATOM 112 N THR A 7 14.579 -7.940 -2.327 1.00 0.00 N ATOM 113 CA THR A 7 14.845 -9.366 -2.478 1.00 0.00 C ATOM 114 C THR A 7 15.743 -9.644 -3.685 1.00 0.00 C ATOM 115 O THR A 7 16.103 -10.792 -3.947 1.00 0.00 O ATOM 116 CB THR A 7 13.534 -10.139 -2.621 1.00 0.00 C ATOM 117 OG1 THR A 7 12.748 -9.602 -3.670 1.00 0.00 O ATOM 118 CG2 THR A 7 12.691 -10.129 -1.364 1.00 0.00 C ATOM 0 H THR A 7 14.092 -7.517 -3.117 1.00 0.00 H new ATOM 0 HA THR A 7 15.367 -9.700 -1.581 1.00 0.00 H new ATOM 0 HB THR A 7 13.827 -11.167 -2.833 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.814 -9.876 -3.552 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.776 -10.696 -1.535 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.251 -10.583 -0.547 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.438 -9.101 -1.104 1.00 0.00 H new ATOM 126 N CYS A 8 16.091 -8.597 -4.429 1.00 0.00 N ATOM 127 CA CYS A 8 16.934 -8.754 -5.605 1.00 0.00 C ATOM 128 C CYS A 8 18.326 -8.184 -5.366 1.00 0.00 C ATOM 129 O CYS A 8 18.503 -7.240 -4.594 1.00 0.00 O ATOM 130 CB CYS A 8 16.293 -8.080 -6.822 1.00 0.00 C ATOM 131 SG CYS A 8 14.632 -8.709 -7.236 1.00 0.00 S ATOM 0 H CYS A 8 15.803 -7.637 -4.238 1.00 0.00 H new ATOM 0 HA CYS A 8 17.031 -9.822 -5.802 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.228 -7.008 -6.637 1.00 0.00 H new ATOM 0 HB3 CYS A 8 16.946 -8.215 -7.684 1.00 0.00 H new ATOM 136 N ARG A 9 19.309 -8.766 -6.038 1.00 0.00 N ATOM 137 CA ARG A 9 20.692 -8.329 -5.907 1.00 0.00 C ATOM 138 C ARG A 9 21.337 -8.158 -7.277 1.00 0.00 C ATOM 139 O ARG A 9 20.742 -8.506 -8.296 1.00 0.00 O ATOM 140 CB ARG A 9 21.488 -9.338 -5.076 1.00 0.00 C ATOM 141 CG ARG A 9 21.172 -10.787 -5.414 1.00 0.00 C ATOM 142 CD ARG A 9 22.379 -11.685 -5.200 1.00 0.00 C ATOM 143 NE ARG A 9 23.341 -11.581 -6.294 1.00 0.00 N ATOM 144 CZ ARG A 9 24.615 -11.956 -6.200 1.00 0.00 C ATOM 145 NH1 ARG A 9 25.084 -12.455 -5.062 1.00 0.00 N ATOM 146 NH2 ARG A 9 25.421 -11.833 -7.245 1.00 0.00 N ATOM 0 H ARG A 9 19.174 -9.545 -6.682 1.00 0.00 H new ATOM 0 HA ARG A 9 20.699 -7.365 -5.399 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.553 -9.162 -5.228 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.284 -9.167 -4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.345 -11.134 -4.795 1.00 0.00 H new ATOM 0 HG3 ARG A 9 20.845 -10.857 -6.451 1.00 0.00 H new ATOM 0 HD2 ARG A 9 22.867 -11.419 -4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 9 22.049 -12.719 -5.105 1.00 0.00 H new ATOM 0 HE ARG A 9 23.018 -11.198 -7.183 1.00 0.00 H new ATOM 0 HH11 ARG A 9 24.467 -12.552 -4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 9 26.061 -12.741 -4.995 1.00 0.00 H new ATOM 0 HH21 ARG A 9 25.065 -11.451 -8.121 1.00 0.00 H new ATOM 0 HH22 ARG A 9 26.397 -12.120 -7.173 1.00 0.00 H new ATOM 160 N ASN A 10 22.553 -7.614 -7.297 1.00 0.00 N ATOM 161 CA ASN A 10 23.289 -7.389 -8.540 1.00 0.00 C ATOM 162 C ASN A 10 22.437 -6.694 -9.599 1.00 0.00 C ATOM 163 O ASN A 10 22.255 -7.205 -10.704 1.00 0.00 O ATOM 164 CB ASN A 10 23.865 -8.706 -9.081 1.00 0.00 C ATOM 165 CG ASN A 10 22.810 -9.645 -9.636 1.00 0.00 C ATOM 166 OD1 ASN A 10 22.120 -10.335 -8.887 1.00 0.00 O ATOM 167 ND2 ASN A 10 22.693 -9.688 -10.959 1.00 0.00 N ATOM 0 H ASN A 10 23.053 -7.319 -6.458 1.00 0.00 H new ATOM 0 HA ASN A 10 24.116 -6.719 -8.304 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.589 -8.482 -9.864 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.406 -9.212 -8.282 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.010 -10.311 -11.391 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.286 -9.098 -11.543 1.00 0.00 H new ATOM 174 N THR A 11 21.933 -5.512 -9.261 1.00 0.00 N ATOM 175 CA THR A 11 21.129 -4.739 -10.195 1.00 0.00 C ATOM 176 C THR A 11 22.038 -4.024 -11.188 1.00 0.00 C ATOM 177 O THR A 11 23.027 -3.400 -10.803 1.00 0.00 O ATOM 178 CB THR A 11 20.245 -3.735 -9.453 1.00 0.00 C ATOM 179 OG1 THR A 11 21.023 -2.909 -8.604 1.00 0.00 O ATOM 180 CG2 THR A 11 19.179 -4.396 -8.606 1.00 0.00 C ATOM 0 H THR A 11 22.067 -5.071 -8.351 1.00 0.00 H new ATOM 0 HA THR A 11 20.475 -5.420 -10.740 1.00 0.00 H new ATOM 0 HB THR A 11 19.758 -3.146 -10.230 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.226 -3.391 -7.775 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.586 -3.631 -8.106 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.531 -4.999 -9.242 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.651 -5.035 -7.860 1.00 0.00 H new ATOM 188 N GLN A 12 21.703 -4.131 -12.466 1.00 0.00 N ATOM 189 CA GLN A 12 22.497 -3.509 -13.520 1.00 0.00 C ATOM 190 C GLN A 12 21.662 -3.261 -14.765 1.00 0.00 C ATOM 191 O GLN A 12 20.583 -3.830 -14.926 1.00 0.00 O ATOM 192 CB GLN A 12 23.713 -4.372 -13.859 1.00 0.00 C ATOM 193 CG GLN A 12 23.363 -5.805 -14.225 1.00 0.00 C ATOM 194 CD GLN A 12 24.592 -6.672 -14.418 1.00 0.00 C ATOM 195 OE1 GLN A 12 25.575 -6.546 -13.688 1.00 0.00 O ATOM 196 NE2 GLN A 12 24.542 -7.557 -15.406 1.00 0.00 N ATOM 0 H GLN A 12 20.886 -4.643 -12.800 1.00 0.00 H new ATOM 0 HA GLN A 12 22.845 -2.545 -13.149 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.251 -3.915 -14.690 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.391 -4.380 -13.006 1.00 0.00 H new ATOM 0 HG2 GLN A 12 22.739 -6.235 -13.441 1.00 0.00 H new ATOM 0 HG3 GLN A 12 22.772 -5.809 -15.141 1.00 0.00 H new ATOM 0 HE21 GLN A 12 23.706 -7.627 -15.986 1.00 0.00 H new ATOM 0 HE22 GLN A 12 25.339 -8.167 -15.585 1.00 0.00 H new ATOM 205 N LEU A 13 22.169 -2.406 -15.643 1.00 0.00 N ATOM 206 CA LEU A 13 21.468 -2.077 -16.873 1.00 0.00 C ATOM 207 C LEU A 13 21.999 -2.897 -18.035 1.00 0.00 C ATOM 208 O LEU A 13 23.209 -3.043 -18.211 1.00 0.00 O ATOM 209 CB LEU A 13 21.629 -0.593 -17.197 1.00 0.00 C ATOM 210 CG LEU A 13 20.868 -0.122 -18.441 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.709 0.772 -18.042 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.796 0.605 -19.407 1.00 0.00 C ATOM 0 H LEU A 13 23.063 -1.929 -15.525 1.00 0.00 H new ATOM 0 HA LEU A 13 20.413 -2.308 -16.725 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.293 -0.010 -16.340 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.689 -0.378 -17.333 1.00 0.00 H new ATOM 0 HG LEU A 13 20.473 -1.000 -18.951 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.177 1.099 -18.936 1.00 0.00 H new ATOM 0 HD12 LEU A 13 19.027 0.218 -17.397 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.088 1.642 -17.507 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.230 0.928 -20.281 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.228 1.475 -18.912 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.594 -0.068 -19.720 1.00 0.00 H new ATOM 224 N ALA A 14 21.081 -3.417 -18.836 1.00 0.00 N ATOM 225 CA ALA A 14 21.427 -4.209 -20.000 1.00 0.00 C ATOM 226 C ALA A 14 20.857 -3.538 -21.241 1.00 0.00 C ATOM 227 O ALA A 14 19.784 -2.939 -21.183 1.00 0.00 O ATOM 228 CB ALA A 14 20.887 -5.625 -19.851 1.00 0.00 C ATOM 0 H ALA A 14 20.078 -3.300 -18.695 1.00 0.00 H new ATOM 0 HA ALA A 14 22.511 -4.273 -20.095 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.153 -6.210 -20.731 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.319 -6.088 -18.963 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.802 -5.592 -19.752 1.00 0.00 H new ATOM 234 N GLY A 15 21.574 -3.607 -22.353 1.00 0.00 N ATOM 235 CA GLY A 15 21.094 -2.963 -23.560 1.00 0.00 C ATOM 236 C GLY A 15 20.902 -1.472 -23.351 1.00 0.00 C ATOM 237 O GLY A 15 21.592 -0.870 -22.527 1.00 0.00 O ATOM 0 H GLY A 15 22.468 -4.090 -22.442 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.803 -3.130 -24.371 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.150 -3.414 -23.865 1.00 0.00 H new ATOM 241 N SER A 16 19.999 -0.861 -24.109 1.00 0.00 N ATOM 242 CA SER A 16 19.781 0.577 -23.997 1.00 0.00 C ATOM 243 C SER A 16 18.793 0.941 -22.892 1.00 0.00 C ATOM 244 O SER A 16 18.970 1.957 -22.219 1.00 0.00 O ATOM 245 CB SER A 16 19.259 1.127 -25.323 1.00 0.00 C ATOM 246 OG SER A 16 19.914 0.518 -26.423 1.00 0.00 O ATOM 0 H SER A 16 19.413 -1.331 -24.799 1.00 0.00 H new ATOM 0 HA SER A 16 20.744 1.021 -23.744 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.185 0.954 -25.394 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.411 2.206 -25.357 1.00 0.00 H new ATOM 0 HG SER A 16 19.560 0.887 -27.259 1.00 0.00 H new ATOM 252 N SER A 17 17.752 0.137 -22.701 1.00 0.00 N ATOM 253 CA SER A 17 16.768 0.440 -21.676 1.00 0.00 C ATOM 254 C SER A 17 16.263 -0.813 -20.957 1.00 0.00 C ATOM 255 O SER A 17 15.092 -0.892 -20.590 1.00 0.00 O ATOM 256 CB SER A 17 15.607 1.211 -22.300 1.00 0.00 C ATOM 257 OG SER A 17 15.287 0.704 -23.581 1.00 0.00 O ATOM 0 H SER A 17 17.572 -0.714 -23.234 1.00 0.00 H new ATOM 0 HA SER A 17 17.254 1.055 -20.918 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.733 1.146 -21.651 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.868 2.266 -22.378 1.00 0.00 H new ATOM 0 HG SER A 17 15.562 -0.235 -23.639 1.00 0.00 H new ATOM 263 N GLU A 18 17.152 -1.778 -20.738 1.00 0.00 N ATOM 264 CA GLU A 18 16.788 -3.007 -20.033 1.00 0.00 C ATOM 265 C GLU A 18 17.512 -3.115 -18.701 1.00 0.00 C ATOM 266 O GLU A 18 18.671 -2.726 -18.578 1.00 0.00 O ATOM 267 CB GLU A 18 17.088 -4.252 -20.869 1.00 0.00 C ATOM 268 CG GLU A 18 16.018 -4.573 -21.889 1.00 0.00 C ATOM 269 CD GLU A 18 16.427 -4.221 -23.306 1.00 0.00 C ATOM 270 OE1 GLU A 18 16.632 -3.021 -23.584 1.00 0.00 O ATOM 271 OE2 GLU A 18 16.543 -5.146 -24.138 1.00 0.00 O ATOM 0 H GLU A 18 18.126 -1.735 -21.037 1.00 0.00 H new ATOM 0 HA GLU A 18 15.714 -2.955 -19.856 1.00 0.00 H new ATOM 0 HB2 GLU A 18 18.038 -4.112 -21.384 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.210 -5.106 -20.202 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.782 -5.636 -21.838 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.107 -4.032 -21.634 1.00 0.00 H new ATOM 278 N LEU A 19 16.825 -3.668 -17.711 1.00 0.00 N ATOM 279 CA LEU A 19 17.402 -3.861 -16.391 1.00 0.00 C ATOM 280 C LEU A 19 17.454 -5.350 -16.085 1.00 0.00 C ATOM 281 O LEU A 19 16.427 -6.030 -16.118 1.00 0.00 O ATOM 282 CB LEU A 19 16.577 -3.129 -15.326 1.00 0.00 C ATOM 283 CG LEU A 19 16.819 -3.584 -13.884 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.286 -3.432 -13.515 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.940 -2.800 -12.922 1.00 0.00 C ATOM 0 H LEU A 19 15.862 -3.992 -17.800 1.00 0.00 H new ATOM 0 HA LEU A 19 18.411 -3.448 -16.377 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.791 -2.062 -15.394 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.520 -3.257 -15.557 1.00 0.00 H new ATOM 0 HG LEU A 19 16.554 -4.639 -13.807 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.438 -3.760 -12.487 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.894 -4.040 -14.184 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.578 -2.386 -13.609 1.00 0.00 H new ATOM 0 HD21 LEU A 19 16.126 -3.137 -11.902 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.172 -1.738 -13.001 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.892 -2.962 -13.172 1.00 0.00 H new ATOM 297 N ALA A 20 18.635 -5.865 -15.776 1.00 0.00 N ATOM 298 CA ALA A 20 18.771 -7.273 -15.459 1.00 0.00 C ATOM 299 C ALA A 20 19.257 -7.437 -14.024 1.00 0.00 C ATOM 300 O ALA A 20 20.070 -6.650 -13.538 1.00 0.00 O ATOM 301 CB ALA A 20 19.706 -7.943 -16.453 1.00 0.00 C ATOM 0 H ALA A 20 19.504 -5.332 -15.739 1.00 0.00 H new ATOM 0 HA ALA A 20 17.800 -7.762 -15.539 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.802 -9.000 -16.207 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.301 -7.840 -17.460 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.687 -7.469 -16.406 1.00 0.00 H new ATOM 307 N ALA A 21 18.737 -8.448 -13.344 1.00 0.00 N ATOM 308 CA ALA A 21 19.094 -8.697 -11.954 1.00 0.00 C ATOM 309 C ALA A 21 18.755 -10.124 -11.547 1.00 0.00 C ATOM 310 O ALA A 21 18.086 -10.846 -12.284 1.00 0.00 O ATOM 311 CB ALA A 21 18.390 -7.704 -11.042 1.00 0.00 C ATOM 0 H ALA A 21 18.065 -9.110 -13.732 1.00 0.00 H new ATOM 0 HA ALA A 21 20.171 -8.565 -11.853 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.666 -7.902 -10.006 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.688 -6.690 -11.309 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.311 -7.807 -11.156 1.00 0.00 H new ATOM 317 N GLU A 22 19.181 -10.513 -10.353 1.00 0.00 N ATOM 318 CA GLU A 22 18.879 -11.835 -9.832 1.00 0.00 C ATOM 319 C GLU A 22 18.011 -11.686 -8.589 1.00 0.00 C ATOM 320 O GLU A 22 18.297 -10.859 -7.722 1.00 0.00 O ATOM 321 CB GLU A 22 20.165 -12.596 -9.500 1.00 0.00 C ATOM 322 CG GLU A 22 21.081 -12.796 -10.697 1.00 0.00 C ATOM 323 CD GLU A 22 22.548 -12.813 -10.314 1.00 0.00 C ATOM 324 OE1 GLU A 22 22.875 -13.360 -9.239 1.00 0.00 O ATOM 325 OE2 GLU A 22 23.371 -12.280 -11.088 1.00 0.00 O ATOM 0 H GLU A 22 19.737 -9.930 -9.728 1.00 0.00 H new ATOM 0 HA GLU A 22 18.343 -12.408 -10.588 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.707 -12.055 -8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.904 -13.570 -9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.828 -13.734 -11.191 1.00 0.00 H new ATOM 0 HG3 GLU A 22 20.907 -11.999 -11.420 1.00 0.00 H new ATOM 332 N CYS A 23 16.944 -12.467 -8.500 1.00 0.00 N ATOM 333 CA CYS A 23 16.050 -12.376 -7.355 1.00 0.00 C ATOM 334 C CYS A 23 15.762 -13.746 -6.760 1.00 0.00 C ATOM 335 O CYS A 23 15.497 -14.709 -7.479 1.00 0.00 O ATOM 336 CB CYS A 23 14.745 -11.694 -7.761 1.00 0.00 C ATOM 337 SG CYS A 23 14.980 -10.122 -8.652 1.00 0.00 S ATOM 0 H CYS A 23 16.678 -13.162 -9.197 1.00 0.00 H new ATOM 0 HA CYS A 23 16.547 -11.779 -6.590 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.171 -12.375 -8.390 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.150 -11.508 -6.867 1.00 0.00 H new ATOM 342 N LYS A 24 15.834 -13.825 -5.439 1.00 0.00 N ATOM 343 CA LYS A 24 15.594 -15.075 -4.736 1.00 0.00 C ATOM 344 C LYS A 24 14.142 -15.524 -4.875 1.00 0.00 C ATOM 345 O LYS A 24 13.215 -14.721 -4.779 1.00 0.00 O ATOM 346 CB LYS A 24 15.963 -14.936 -3.258 1.00 0.00 C ATOM 347 CG LYS A 24 15.178 -13.855 -2.534 1.00 0.00 C ATOM 348 CD LYS A 24 15.122 -14.116 -1.038 1.00 0.00 C ATOM 349 CE LYS A 24 16.141 -13.275 -0.287 1.00 0.00 C ATOM 350 NZ LYS A 24 15.727 -13.025 1.121 1.00 0.00 N ATOM 0 H LYS A 24 16.057 -13.036 -4.832 1.00 0.00 H new ATOM 0 HA LYS A 24 16.227 -15.837 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.796 -15.891 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 24 17.028 -14.716 -3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.638 -12.884 -2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.165 -13.809 -2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.121 -13.895 -0.666 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.308 -15.173 -0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.107 -13.781 -0.297 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.275 -12.323 -0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.449 -12.448 1.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.818 -12.520 1.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.624 -13.932 1.619 1.00 0.00 H new ATOM 364 N THR A 25 13.964 -16.821 -5.101 1.00 0.00 N ATOM 365 CA THR A 25 12.636 -17.402 -5.255 1.00 0.00 C ATOM 366 C THR A 25 12.035 -17.742 -3.895 1.00 0.00 C ATOM 367 O THR A 25 12.626 -17.445 -2.857 1.00 0.00 O ATOM 368 CB THR A 25 12.705 -18.655 -6.129 1.00 0.00 C ATOM 369 OG1 THR A 25 13.499 -19.654 -5.513 1.00 0.00 O ATOM 370 CG2 THR A 25 13.283 -18.390 -7.502 1.00 0.00 C ATOM 0 H THR A 25 14.727 -17.493 -5.182 1.00 0.00 H new ATOM 0 HA THR A 25 11.994 -16.667 -5.741 1.00 0.00 H new ATOM 0 HB THR A 25 11.673 -18.988 -6.243 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.529 -20.448 -6.087 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.305 -19.318 -8.073 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.664 -17.659 -8.022 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.297 -18.002 -7.401 1.00 0.00 H new ATOM 378 N ARG A 26 10.856 -18.356 -3.903 1.00 0.00 N ATOM 379 CA ARG A 26 10.184 -18.726 -2.662 1.00 0.00 C ATOM 380 C ARG A 26 11.018 -19.721 -1.861 1.00 0.00 C ATOM 381 O ARG A 26 10.944 -19.761 -0.633 1.00 0.00 O ATOM 382 CB ARG A 26 8.809 -19.326 -2.961 1.00 0.00 C ATOM 383 CG ARG A 26 7.911 -18.413 -3.779 1.00 0.00 C ATOM 384 CD ARG A 26 7.025 -17.558 -2.887 1.00 0.00 C ATOM 385 NE ARG A 26 6.089 -16.747 -3.662 1.00 0.00 N ATOM 386 CZ ARG A 26 4.977 -17.225 -4.216 1.00 0.00 C ATOM 387 NH1 ARG A 26 4.659 -18.507 -4.084 1.00 0.00 N ATOM 388 NH2 ARG A 26 4.181 -16.419 -4.905 1.00 0.00 N ATOM 0 H ARG A 26 10.348 -18.607 -4.751 1.00 0.00 H new ATOM 0 HA ARG A 26 10.060 -17.822 -2.066 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.941 -20.266 -3.496 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.312 -19.562 -2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.523 -17.769 -4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.289 -19.013 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.469 -18.201 -2.205 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.648 -16.907 -2.274 1.00 0.00 H new ATOM 0 HE ARG A 26 6.300 -15.757 -3.786 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.268 -19.132 -3.556 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.806 -18.867 -4.511 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.421 -15.433 -5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.329 -16.785 -5.330 1.00 0.00 H new ATOM 402 N ALA A 27 11.790 -20.541 -2.567 1.00 0.00 N ATOM 403 CA ALA A 27 12.617 -21.555 -1.924 1.00 0.00 C ATOM 404 C ALA A 27 13.945 -20.992 -1.420 1.00 0.00 C ATOM 405 O ALA A 27 14.832 -21.749 -1.026 1.00 0.00 O ATOM 406 CB ALA A 27 12.862 -22.709 -2.882 1.00 0.00 C ATOM 0 H ALA A 27 11.860 -20.523 -3.584 1.00 0.00 H new ATOM 0 HA ALA A 27 12.072 -21.914 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.481 -23.462 -2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.909 -23.153 -3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.373 -22.341 -3.772 1.00 0.00 H new ATOM 412 N GLN A 28 14.098 -19.669 -1.454 1.00 0.00 N ATOM 413 CA GLN A 28 15.337 -19.026 -1.022 1.00 0.00 C ATOM 414 C GLN A 28 16.495 -19.368 -1.953 1.00 0.00 C ATOM 415 O GLN A 28 17.637 -19.529 -1.521 1.00 0.00 O ATOM 416 CB GLN A 28 15.684 -19.443 0.408 1.00 0.00 C ATOM 417 CG GLN A 28 14.513 -19.344 1.369 1.00 0.00 C ATOM 418 CD GLN A 28 14.469 -18.016 2.099 1.00 0.00 C ATOM 419 OE1 GLN A 28 14.765 -16.968 1.524 1.00 0.00 O ATOM 420 NE2 GLN A 28 14.101 -18.054 3.373 1.00 0.00 N ATOM 0 H GLN A 28 13.379 -19.022 -1.776 1.00 0.00 H new ATOM 0 HA GLN A 28 15.178 -17.948 -1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 28 16.051 -20.469 0.400 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.498 -18.816 0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.583 -19.483 0.818 1.00 0.00 H new ATOM 0 HG3 GLN A 28 14.576 -20.153 2.097 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.864 -18.945 3.809 1.00 0.00 H new ATOM 0 HE22 GLN A 28 14.055 -17.192 3.916 1.00 0.00 H new ATOM 429 N GLN A 29 16.188 -19.427 -3.243 1.00 0.00 N ATOM 430 CA GLN A 29 17.186 -19.695 -4.269 1.00 0.00 C ATOM 431 C GLN A 29 17.281 -18.481 -5.183 1.00 0.00 C ATOM 432 O GLN A 29 16.261 -17.901 -5.545 1.00 0.00 O ATOM 433 CB GLN A 29 16.815 -20.944 -5.073 1.00 0.00 C ATOM 434 CG GLN A 29 16.768 -22.213 -4.237 1.00 0.00 C ATOM 435 CD GLN A 29 18.136 -22.839 -4.049 1.00 0.00 C ATOM 436 OE1 GLN A 29 18.958 -22.343 -3.278 1.00 0.00 O ATOM 437 NE2 GLN A 29 18.388 -23.935 -4.755 1.00 0.00 N ATOM 0 H GLN A 29 15.244 -19.291 -3.605 1.00 0.00 H new ATOM 0 HA GLN A 29 18.152 -19.880 -3.799 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.842 -20.790 -5.540 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.538 -21.076 -5.878 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.340 -21.985 -3.261 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.105 -22.934 -4.715 1.00 0.00 H new ATOM 0 HE21 GLN A 29 17.678 -24.312 -5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 29 19.292 -24.400 -4.670 1.00 0.00 H new ATOM 446 N PHE A 30 18.495 -18.077 -5.540 1.00 0.00 N ATOM 447 CA PHE A 30 18.676 -16.904 -6.393 1.00 0.00 C ATOM 448 C PHE A 30 18.761 -17.290 -7.865 1.00 0.00 C ATOM 449 O PHE A 30 19.594 -18.109 -8.256 1.00 0.00 O ATOM 450 CB PHE A 30 19.943 -16.146 -5.989 1.00 0.00 C ATOM 451 CG PHE A 30 19.805 -15.388 -4.700 1.00 0.00 C ATOM 452 CD1 PHE A 30 20.051 -16.009 -3.486 1.00 0.00 C ATOM 453 CD2 PHE A 30 19.427 -14.054 -4.702 1.00 0.00 C ATOM 454 CE1 PHE A 30 19.924 -15.314 -2.298 1.00 0.00 C ATOM 455 CE2 PHE A 30 19.298 -13.354 -3.517 1.00 0.00 C ATOM 456 CZ PHE A 30 19.546 -13.985 -2.314 1.00 0.00 C ATOM 0 H PHE A 30 19.360 -18.537 -5.257 1.00 0.00 H new ATOM 0 HA PHE A 30 17.806 -16.262 -6.258 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.767 -16.854 -5.898 1.00 0.00 H new ATOM 0 HB3 PHE A 30 20.208 -15.449 -6.784 1.00 0.00 H new ATOM 0 HD1 PHE A 30 20.345 -17.048 -3.468 1.00 0.00 H new ATOM 0 HD2 PHE A 30 19.231 -13.556 -5.640 1.00 0.00 H new ATOM 0 HE1 PHE A 30 20.120 -15.809 -1.358 1.00 0.00 H new ATOM 0 HE2 PHE A 30 19.004 -12.315 -3.532 1.00 0.00 H new ATOM 0 HZ PHE A 30 19.445 -13.440 -1.387 1.00 0.00 H new ATOM 466 N VAL A 31 17.896 -16.693 -8.679 1.00 0.00 N ATOM 467 CA VAL A 31 17.874 -16.968 -10.107 1.00 0.00 C ATOM 468 C VAL A 31 17.902 -15.669 -10.906 1.00 0.00 C ATOM 469 O VAL A 31 17.418 -14.635 -10.446 1.00 0.00 O ATOM 470 CB VAL A 31 16.626 -17.778 -10.505 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.741 -19.214 -10.015 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.367 -17.122 -9.959 1.00 0.00 C ATOM 0 H VAL A 31 17.200 -16.014 -8.371 1.00 0.00 H new ATOM 0 HA VAL A 31 18.762 -17.557 -10.335 1.00 0.00 H new ATOM 0 HB VAL A 31 16.559 -17.794 -11.593 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.850 -19.770 -10.306 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.621 -19.680 -10.459 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.835 -19.221 -8.929 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.496 -17.708 -10.250 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.424 -17.073 -8.872 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.277 -16.114 -10.363 1.00 0.00 H new ATOM 482 N SER A 32 18.498 -15.720 -12.092 1.00 0.00 N ATOM 483 CA SER A 32 18.610 -14.537 -12.938 1.00 0.00 C ATOM 484 C SER A 32 17.261 -14.144 -13.532 1.00 0.00 C ATOM 485 O SER A 32 16.516 -14.986 -14.033 1.00 0.00 O ATOM 486 CB SER A 32 19.620 -14.780 -14.060 1.00 0.00 C ATOM 487 OG SER A 32 20.948 -14.597 -13.599 1.00 0.00 O ATOM 0 H SER A 32 18.910 -16.565 -12.489 1.00 0.00 H new ATOM 0 HA SER A 32 18.957 -13.715 -12.311 1.00 0.00 H new ATOM 0 HB2 SER A 32 19.502 -15.792 -14.447 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.421 -14.098 -14.887 1.00 0.00 H new ATOM 0 HG SER A 32 21.575 -14.760 -14.334 1.00 0.00 H new ATOM 493 N THR A 33 16.966 -12.848 -13.477 1.00 0.00 N ATOM 494 CA THR A 33 15.717 -12.313 -14.007 1.00 0.00 C ATOM 495 C THR A 33 15.955 -10.950 -14.652 1.00 0.00 C ATOM 496 O THR A 33 16.968 -10.301 -14.393 1.00 0.00 O ATOM 497 CB THR A 33 14.671 -12.198 -12.897 1.00 0.00 C ATOM 498 OG1 THR A 33 13.521 -11.513 -13.361 1.00 0.00 O ATOM 499 CG2 THR A 33 15.174 -11.471 -11.669 1.00 0.00 C ATOM 0 H THR A 33 17.581 -12.145 -13.067 1.00 0.00 H new ATOM 0 HA THR A 33 15.343 -12.999 -14.767 1.00 0.00 H new ATOM 0 HB THR A 33 14.435 -13.225 -12.618 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.042 -12.076 -14.004 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.381 -11.426 -10.923 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.031 -12.004 -11.256 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.473 -10.459 -11.942 1.00 0.00 H new ATOM 507 N LYS A 34 15.026 -10.519 -15.498 1.00 0.00 N ATOM 508 CA LYS A 34 15.170 -9.241 -16.175 1.00 0.00 C ATOM 509 C LYS A 34 13.835 -8.518 -16.312 1.00 0.00 C ATOM 510 O LYS A 34 12.770 -9.135 -16.318 1.00 0.00 O ATOM 511 CB LYS A 34 15.786 -9.448 -17.562 1.00 0.00 C ATOM 512 CG LYS A 34 16.246 -8.158 -18.226 1.00 0.00 C ATOM 513 CD LYS A 34 16.584 -8.377 -19.691 1.00 0.00 C ATOM 514 CE LYS A 34 17.790 -9.286 -19.854 1.00 0.00 C ATOM 515 NZ LYS A 34 17.393 -10.677 -20.207 1.00 0.00 N ATOM 0 H LYS A 34 14.175 -11.031 -15.728 1.00 0.00 H new ATOM 0 HA LYS A 34 15.828 -8.620 -15.567 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.636 -10.125 -17.475 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.054 -9.937 -18.205 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.463 -7.404 -18.141 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.120 -7.770 -17.704 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.726 -8.814 -20.202 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.784 -7.417 -20.167 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.443 -8.887 -20.630 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.365 -9.296 -18.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.179 -11.326 -19.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.559 -10.952 -19.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.164 -10.726 -21.220 1.00 0.00 H new ATOM 529 N ILE A 35 13.920 -7.200 -16.440 1.00 0.00 N ATOM 530 CA ILE A 35 12.751 -6.347 -16.596 1.00 0.00 C ATOM 531 C ILE A 35 13.032 -5.328 -17.694 1.00 0.00 C ATOM 532 O ILE A 35 14.057 -4.648 -17.660 1.00 0.00 O ATOM 533 CB ILE A 35 12.416 -5.624 -15.274 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.137 -4.797 -15.409 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.578 -4.748 -14.838 1.00 0.00 C ATOM 536 CD1 ILE A 35 9.916 -5.484 -14.838 1.00 0.00 C ATOM 0 H ILE A 35 14.805 -6.692 -16.438 1.00 0.00 H new ATOM 0 HA ILE A 35 11.892 -6.961 -16.867 1.00 0.00 H new ATOM 0 HB ILE A 35 12.246 -6.380 -14.508 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.276 -3.841 -14.905 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.963 -4.579 -16.463 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.325 -4.246 -13.904 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.464 -5.366 -14.689 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.781 -4.003 -15.607 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.044 -4.843 -14.967 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.753 -6.428 -15.359 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.070 -5.677 -13.776 1.00 0.00 H new ATOM 548 N ASN A 36 12.146 -5.233 -18.683 1.00 0.00 N ATOM 549 CA ASN A 36 12.345 -4.309 -19.795 1.00 0.00 C ATOM 550 C ASN A 36 11.793 -2.927 -19.461 1.00 0.00 C ATOM 551 O ASN A 36 10.588 -2.760 -19.283 1.00 0.00 O ATOM 552 CB ASN A 36 11.647 -4.854 -21.041 1.00 0.00 C ATOM 553 CG ASN A 36 12.193 -4.258 -22.322 1.00 0.00 C ATOM 554 OD1 ASN A 36 13.311 -4.564 -22.733 1.00 0.00 O ATOM 555 ND2 ASN A 36 11.403 -3.408 -22.963 1.00 0.00 N ATOM 0 H ASN A 36 11.288 -5.782 -18.737 1.00 0.00 H new ATOM 0 HA ASN A 36 13.415 -4.215 -19.981 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.760 -5.938 -21.072 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.579 -4.647 -20.975 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.715 -2.979 -23.834 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.483 -3.183 -22.585 1.00 0.00 H new ATOM 562 N LEU A 37 12.673 -1.937 -19.384 1.00 0.00 N ATOM 563 CA LEU A 37 12.256 -0.574 -19.071 1.00 0.00 C ATOM 564 C LEU A 37 11.823 0.181 -20.328 1.00 0.00 C ATOM 565 O LEU A 37 11.203 1.241 -20.237 1.00 0.00 O ATOM 566 CB LEU A 37 13.388 0.178 -18.367 1.00 0.00 C ATOM 567 CG LEU A 37 13.908 -0.491 -17.093 1.00 0.00 C ATOM 568 CD1 LEU A 37 14.993 -1.507 -17.424 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.428 0.552 -16.115 1.00 0.00 C ATOM 0 H LEU A 37 13.676 -2.050 -19.533 1.00 0.00 H new ATOM 0 HA LEU A 37 11.397 -0.633 -18.403 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.218 0.293 -19.065 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.040 1.180 -18.118 1.00 0.00 H new ATOM 0 HG LEU A 37 13.080 -1.019 -16.621 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.349 -1.971 -16.504 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.585 -2.273 -18.083 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.822 -1.005 -17.922 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.793 0.057 -15.215 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.242 1.111 -16.578 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.622 1.237 -15.850 1.00 0.00 H new ATOM 581 N ASP A 38 12.184 -0.344 -21.499 1.00 0.00 N ATOM 582 CA ASP A 38 11.856 0.310 -22.766 1.00 0.00 C ATOM 583 C ASP A 38 10.354 0.579 -22.899 1.00 0.00 C ATOM 584 O ASP A 38 9.944 1.683 -23.258 1.00 0.00 O ATOM 585 CB ASP A 38 12.312 -0.536 -23.966 1.00 0.00 C ATOM 586 CG ASP A 38 13.575 -1.342 -23.708 1.00 0.00 C ATOM 587 OD1 ASP A 38 13.679 -1.965 -22.630 1.00 0.00 O ATOM 588 OD2 ASP A 38 14.459 -1.356 -24.591 1.00 0.00 O ATOM 0 H ASP A 38 12.702 -1.217 -21.597 1.00 0.00 H new ATOM 0 HA ASP A 38 12.388 1.261 -22.764 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.508 -1.218 -24.244 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.481 0.122 -24.819 1.00 0.00 H new ATOM 593 N ASP A 39 9.530 -0.423 -22.604 1.00 0.00 N ATOM 594 CA ASP A 39 8.075 -0.267 -22.693 1.00 0.00 C ATOM 595 C ASP A 39 7.475 0.172 -21.363 1.00 0.00 C ATOM 596 O ASP A 39 6.300 0.530 -21.297 1.00 0.00 O ATOM 597 CB ASP A 39 7.395 -1.552 -23.166 1.00 0.00 C ATOM 598 CG ASP A 39 7.999 -2.797 -22.548 1.00 0.00 C ATOM 599 OD1 ASP A 39 7.753 -3.044 -21.349 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.719 -3.526 -23.263 1.00 0.00 O ATOM 0 H ASP A 39 9.839 -1.347 -22.303 1.00 0.00 H new ATOM 0 HA ASP A 39 7.893 0.513 -23.432 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.334 -1.508 -22.920 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.468 -1.618 -24.252 1.00 0.00 H new ATOM 605 N HIS A 40 8.275 0.153 -20.301 1.00 0.00 N ATOM 606 CA HIS A 40 7.800 0.564 -18.984 1.00 0.00 C ATOM 607 C HIS A 40 8.164 2.023 -18.753 1.00 0.00 C ATOM 608 O HIS A 40 7.294 2.892 -18.699 1.00 0.00 O ATOM 609 CB HIS A 40 8.419 -0.320 -17.896 1.00 0.00 C ATOM 610 CG HIS A 40 7.686 -1.611 -17.694 1.00 0.00 C ATOM 611 ND1 HIS A 40 8.131 -2.892 -17.660 1.00 0.00 N flip ATOM 612 CD2 HIS A 40 6.320 -1.679 -17.518 1.00 0.00 C flip ATOM 613 CE1 HIS A 40 7.035 -3.697 -17.468 1.00 0.00 C flip ATOM 614 NE2 HIS A 40 5.956 -2.942 -17.385 1.00 0.00 N flip ATOM 0 H HIS A 40 9.251 -0.141 -20.326 1.00 0.00 H new ATOM 0 HA HIS A 40 6.717 0.452 -18.938 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.455 -0.535 -18.158 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.436 0.231 -16.956 1.00 0.00 H new ATOM 0 HD1 HIS A 40 9.098 -3.200 -17.759 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.651 -0.831 -17.493 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.053 -4.774 -17.396 1.00 0.00 H new ATOM 623 N ILE A 41 9.463 2.285 -18.644 1.00 0.00 N ATOM 624 CA ILE A 41 9.953 3.639 -18.451 1.00 0.00 C ATOM 625 C ILE A 41 9.978 4.391 -19.776 1.00 0.00 C ATOM 626 O ILE A 41 10.179 3.798 -20.834 1.00 0.00 O ATOM 627 CB ILE A 41 11.367 3.656 -17.833 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.471 2.632 -16.701 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.707 5.049 -17.322 1.00 0.00 C ATOM 630 CD1 ILE A 41 10.413 2.801 -15.632 1.00 0.00 C ATOM 0 H ILE A 41 10.193 1.574 -18.687 1.00 0.00 H new ATOM 0 HA ILE A 41 9.269 4.130 -17.759 1.00 0.00 H new ATOM 0 HB ILE A 41 12.084 3.386 -18.608 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.394 1.629 -17.121 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.456 2.710 -16.241 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.707 5.044 -16.889 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.673 5.758 -18.149 1.00 0.00 H new ATOM 0 HG23 ILE A 41 10.984 5.344 -16.561 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.549 2.041 -14.862 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.503 3.791 -15.184 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.424 2.693 -16.078 1.00 0.00 H new ATOM 642 N ALA A 42 9.761 5.696 -19.702 1.00 0.00 N ATOM 643 CA ALA A 42 9.751 6.542 -20.895 1.00 0.00 C ATOM 644 C ALA A 42 10.416 7.889 -20.631 1.00 0.00 C ATOM 645 O ALA A 42 10.765 8.213 -19.496 1.00 0.00 O ATOM 646 CB ALA A 42 8.325 6.744 -21.380 1.00 0.00 C ATOM 0 H ALA A 42 9.589 6.196 -18.830 1.00 0.00 H new ATOM 0 HA ALA A 42 10.325 6.035 -21.671 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.329 7.375 -22.269 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.883 5.778 -21.623 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.739 7.224 -20.596 1.00 0.00 H new ATOM 652 N ASN A 43 10.608 8.660 -21.698 1.00 0.00 N ATOM 653 CA ASN A 43 11.249 9.968 -21.603 1.00 0.00 C ATOM 654 C ASN A 43 10.263 11.090 -21.927 1.00 0.00 C ATOM 655 O ASN A 43 9.821 11.228 -23.067 1.00 0.00 O ATOM 656 CB ASN A 43 12.441 10.024 -22.559 1.00 0.00 C ATOM 657 CG ASN A 43 13.138 11.368 -22.550 1.00 0.00 C ATOM 658 OD1 ASN A 43 13.882 11.687 -21.624 1.00 0.00 O ATOM 659 ND2 ASN A 43 12.896 12.163 -23.586 1.00 0.00 N ATOM 0 H ASN A 43 10.327 8.399 -22.643 1.00 0.00 H new ATOM 0 HA ASN A 43 11.595 10.110 -20.579 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.156 9.247 -22.287 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.100 9.803 -23.571 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.335 13.082 -23.637 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.271 11.854 -24.331 1.00 0.00 H new ATOM 666 N ILE A 44 9.932 11.899 -20.923 1.00 0.00 N ATOM 667 CA ILE A 44 9.011 13.015 -21.118 1.00 0.00 C ATOM 668 C ILE A 44 9.730 14.352 -20.944 1.00 0.00 C ATOM 669 O ILE A 44 9.778 14.907 -19.846 1.00 0.00 O ATOM 670 CB ILE A 44 7.813 12.936 -20.147 1.00 0.00 C ATOM 671 CG1 ILE A 44 6.946 11.721 -20.483 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.982 14.212 -20.210 1.00 0.00 C ATOM 673 CD1 ILE A 44 7.614 10.398 -20.183 1.00 0.00 C ATOM 0 H ILE A 44 10.286 11.803 -19.971 1.00 0.00 H new ATOM 0 HA ILE A 44 8.632 12.946 -22.138 1.00 0.00 H new ATOM 0 HB ILE A 44 8.196 12.828 -19.132 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.014 11.784 -19.921 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.683 11.754 -21.540 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.143 14.135 -19.518 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.603 15.064 -19.934 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.605 14.351 -21.223 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.941 9.582 -20.446 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.532 10.313 -20.765 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.852 10.343 -19.121 1.00 0.00 H new ATOM 685 N ASP A 45 10.283 14.861 -22.042 1.00 0.00 N ATOM 686 CA ASP A 45 11.003 16.134 -22.032 1.00 0.00 C ATOM 687 C ASP A 45 12.333 16.006 -21.297 1.00 0.00 C ATOM 688 O ASP A 45 12.756 16.924 -20.593 1.00 0.00 O ATOM 689 CB ASP A 45 10.156 17.230 -21.378 1.00 0.00 C ATOM 690 CG ASP A 45 10.777 18.606 -21.525 1.00 0.00 C ATOM 691 OD1 ASP A 45 11.573 18.801 -22.467 1.00 0.00 O ATOM 692 OD2 ASP A 45 10.468 19.488 -20.696 1.00 0.00 O ATOM 0 H ASP A 45 10.246 14.409 -22.956 1.00 0.00 H new ATOM 0 HA ASP A 45 11.202 16.408 -23.068 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.162 17.233 -21.826 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.028 17.003 -20.320 1.00 0.00 H new ATOM 697 N GLY A 46 12.997 14.871 -21.478 1.00 0.00 N ATOM 698 CA GLY A 46 14.277 14.653 -20.834 1.00 0.00 C ATOM 699 C GLY A 46 14.150 14.126 -19.417 1.00 0.00 C ATOM 700 O GLY A 46 15.157 13.895 -18.748 1.00 0.00 O ATOM 0 H GLY A 46 12.672 14.098 -22.059 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.859 13.947 -21.427 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.833 15.590 -20.818 1.00 0.00 H new ATOM 704 N THR A 47 12.918 13.926 -18.952 1.00 0.00 N ATOM 705 CA THR A 47 12.687 13.420 -17.603 1.00 0.00 C ATOM 706 C THR A 47 12.134 11.998 -17.641 1.00 0.00 C ATOM 707 O THR A 47 11.262 11.680 -18.451 1.00 0.00 O ATOM 708 CB THR A 47 11.713 14.339 -16.863 1.00 0.00 C ATOM 709 OG1 THR A 47 12.159 15.683 -16.909 1.00 0.00 O ATOM 710 CG2 THR A 47 11.524 13.968 -15.408 1.00 0.00 C ATOM 0 H THR A 47 12.069 14.106 -19.488 1.00 0.00 H new ATOM 0 HA THR A 47 13.640 13.402 -17.075 1.00 0.00 H new ATOM 0 HB THR A 47 10.759 14.220 -17.377 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.522 16.255 -16.432 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.821 14.660 -14.944 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.132 12.953 -15.339 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.482 14.023 -14.891 1.00 0.00 H new ATOM 718 N LEU A 48 12.673 11.140 -16.782 1.00 0.00 N ATOM 719 CA LEU A 48 12.263 9.741 -16.744 1.00 0.00 C ATOM 720 C LEU A 48 10.928 9.569 -16.028 1.00 0.00 C ATOM 721 O LEU A 48 10.785 9.879 -14.845 1.00 0.00 O ATOM 722 CB LEU A 48 13.334 8.895 -16.054 1.00 0.00 C ATOM 723 CG LEU A 48 14.579 8.614 -16.896 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.749 8.223 -16.006 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.295 7.521 -17.916 1.00 0.00 C ATOM 0 H LEU A 48 13.393 11.388 -16.104 1.00 0.00 H new ATOM 0 HA LEU A 48 12.141 9.404 -17.773 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.640 9.400 -15.138 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.890 7.944 -15.760 1.00 0.00 H new ATOM 0 HG LEU A 48 14.846 9.525 -17.432 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.626 8.027 -16.623 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.967 9.036 -15.314 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.494 7.325 -15.443 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.191 7.333 -18.507 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.004 6.607 -17.398 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.486 7.839 -18.574 1.00 0.00 H new ATOM 737 N LYS A 49 9.954 9.063 -16.780 1.00 0.00 N ATOM 738 CA LYS A 49 8.612 8.828 -16.273 1.00 0.00 C ATOM 739 C LYS A 49 8.094 7.482 -16.766 1.00 0.00 C ATOM 740 O LYS A 49 8.630 6.915 -17.717 1.00 0.00 O ATOM 741 CB LYS A 49 7.670 9.946 -16.716 1.00 0.00 C ATOM 742 CG LYS A 49 8.165 11.333 -16.348 1.00 0.00 C ATOM 743 CD LYS A 49 7.025 12.225 -15.886 1.00 0.00 C ATOM 744 CE LYS A 49 7.452 13.680 -15.810 1.00 0.00 C ATOM 745 NZ LYS A 49 6.321 14.569 -15.431 1.00 0.00 N ATOM 0 H LYS A 49 10.077 8.805 -17.759 1.00 0.00 H new ATOM 0 HA LYS A 49 8.650 8.816 -15.184 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.536 9.891 -17.796 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.691 9.786 -16.265 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.912 11.256 -15.558 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.657 11.786 -17.209 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.184 12.127 -16.572 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.677 11.895 -14.907 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.256 13.785 -15.082 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.852 13.992 -16.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.652 15.554 -15.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.563 14.488 -16.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.955 14.287 -14.499 1.00 0.00 H new ATOM 759 N TRP A 50 7.055 6.971 -16.120 1.00 0.00 N ATOM 760 CA TRP A 50 6.485 5.683 -16.506 1.00 0.00 C ATOM 761 C TRP A 50 5.455 5.846 -17.623 1.00 0.00 C ATOM 762 O TRP A 50 4.446 6.532 -17.458 1.00 0.00 O ATOM 763 CB TRP A 50 5.856 5.001 -15.289 1.00 0.00 C ATOM 764 CG TRP A 50 6.887 4.406 -14.384 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.602 3.266 -14.602 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.337 4.930 -13.130 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.477 3.054 -13.567 1.00 0.00 N ATOM 768 CE2 TRP A 50 8.331 4.059 -12.649 1.00 0.00 C ATOM 769 CE3 TRP A 50 7.001 6.052 -12.368 1.00 0.00 C ATOM 770 CZ2 TRP A 50 8.989 4.274 -11.444 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.657 6.263 -11.171 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.641 5.378 -10.719 1.00 0.00 C ATOM 0 H TRP A 50 6.591 7.423 -15.332 1.00 0.00 H new ATOM 0 HA TRP A 50 7.290 5.054 -16.887 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.262 5.727 -14.734 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.174 4.220 -15.624 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.495 2.624 -15.464 1.00 0.00 H new ATOM 0 HE1 TRP A 50 9.130 2.274 -13.493 1.00 0.00 H new ATOM 0 HE3 TRP A 50 6.243 6.741 -12.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.749 3.592 -11.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.406 7.127 -10.573 1.00 0.00 H new ATOM 0 HH2 TRP A 50 9.135 5.571 -9.778 1.00 0.00 H new ATOM 783 N GLN A 51 5.721 5.209 -18.761 1.00 0.00 N ATOM 784 CA GLN A 51 4.826 5.280 -19.914 1.00 0.00 C ATOM 785 C GLN A 51 5.311 4.344 -21.022 1.00 0.00 C ATOM 786 O GLN A 51 6.512 4.112 -21.160 1.00 0.00 O ATOM 787 CB GLN A 51 4.746 6.720 -20.429 1.00 0.00 C ATOM 788 CG GLN A 51 3.853 6.890 -21.647 1.00 0.00 C ATOM 789 CD GLN A 51 3.872 8.307 -22.190 1.00 0.00 C ATOM 790 OE1 GLN A 51 4.156 8.529 -23.367 1.00 0.00 O ATOM 791 NE2 GLN A 51 3.568 9.274 -21.332 1.00 0.00 N ATOM 0 H GLN A 51 6.552 4.636 -18.910 1.00 0.00 H new ATOM 0 HA GLN A 51 3.830 4.962 -19.605 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.378 7.362 -19.629 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.751 7.063 -20.676 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.175 6.201 -22.428 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.830 6.619 -21.384 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.339 9.044 -20.365 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.564 10.246 -21.640 1.00 0.00 H new ATOM 800 N PRO A 52 4.384 3.775 -21.821 1.00 0.00 N ATOM 801 CA PRO A 52 4.740 2.847 -22.900 1.00 0.00 C ATOM 802 C PRO A 52 5.525 3.518 -24.021 1.00 0.00 C ATOM 803 O PRO A 52 5.033 3.689 -25.136 1.00 0.00 O ATOM 804 CB PRO A 52 3.394 2.321 -23.412 1.00 0.00 C ATOM 805 CG PRO A 52 2.380 2.745 -22.398 1.00 0.00 C ATOM 806 CD PRO A 52 2.931 3.974 -21.731 1.00 0.00 C ATOM 0 HA PRO A 52 5.397 2.056 -22.538 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.161 2.733 -24.394 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.412 1.236 -23.517 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.422 2.958 -22.873 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.206 1.953 -21.669 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.616 4.885 -22.240 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.598 4.055 -20.696 1.00 0.00 H new ATOM 814 N SER A 53 6.761 3.872 -23.706 1.00 0.00 N ATOM 815 CA SER A 53 7.666 4.506 -24.654 1.00 0.00 C ATOM 816 C SER A 53 9.091 4.389 -24.133 1.00 0.00 C ATOM 817 O SER A 53 9.340 4.612 -22.952 1.00 0.00 O ATOM 818 CB SER A 53 7.285 5.972 -24.874 1.00 0.00 C ATOM 819 OG SER A 53 6.888 6.584 -23.661 1.00 0.00 O ATOM 0 H SER A 53 7.167 3.727 -22.782 1.00 0.00 H new ATOM 0 HA SER A 53 7.591 4.001 -25.617 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.133 6.512 -25.296 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.474 6.035 -25.599 1.00 0.00 H new ATOM 0 HG SER A 53 6.651 7.520 -23.829 1.00 0.00 H new ATOM 825 N ASN A 54 10.014 3.996 -25.001 1.00 0.00 N ATOM 826 CA ASN A 54 11.408 3.808 -24.596 1.00 0.00 C ATOM 827 C ASN A 54 12.180 5.119 -24.548 1.00 0.00 C ATOM 828 O ASN A 54 12.545 5.682 -25.580 1.00 0.00 O ATOM 829 CB ASN A 54 12.128 2.834 -25.535 1.00 0.00 C ATOM 830 CG ASN A 54 11.190 1.853 -26.221 1.00 0.00 C ATOM 831 OD1 ASN A 54 10.462 1.109 -25.566 1.00 0.00 O ATOM 832 ND2 ASN A 54 11.212 1.842 -27.548 1.00 0.00 N ATOM 0 H ASN A 54 9.828 3.801 -25.985 1.00 0.00 H new ATOM 0 HA ASN A 54 11.379 3.392 -23.589 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.666 3.403 -26.294 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.873 2.277 -24.967 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.610 1.200 -28.063 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.831 2.476 -28.053 1.00 0.00 H new ATOM 839 N PHE A 55 12.460 5.572 -23.333 1.00 0.00 N ATOM 840 CA PHE A 55 13.226 6.794 -23.116 1.00 0.00 C ATOM 841 C PHE A 55 14.482 6.800 -23.988 1.00 0.00 C ATOM 842 O PHE A 55 14.958 7.851 -24.415 1.00 0.00 O ATOM 843 CB PHE A 55 13.614 6.902 -21.640 1.00 0.00 C ATOM 844 CG PHE A 55 14.407 5.723 -21.151 1.00 0.00 C ATOM 845 CD1 PHE A 55 15.789 5.715 -21.241 1.00 0.00 C ATOM 846 CD2 PHE A 55 13.767 4.618 -20.614 1.00 0.00 C ATOM 847 CE1 PHE A 55 16.519 4.626 -20.802 1.00 0.00 C ATOM 848 CE2 PHE A 55 14.490 3.526 -20.176 1.00 0.00 C ATOM 849 CZ PHE A 55 15.868 3.530 -20.269 1.00 0.00 C ATOM 0 H PHE A 55 12.165 5.107 -22.475 1.00 0.00 H new ATOM 0 HA PHE A 55 12.610 7.650 -23.391 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.196 7.811 -21.489 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.710 6.999 -21.039 1.00 0.00 H new ATOM 0 HD1 PHE A 55 16.302 6.569 -21.659 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.690 4.610 -20.537 1.00 0.00 H new ATOM 0 HE1 PHE A 55 17.596 4.632 -20.876 1.00 0.00 H new ATOM 0 HE2 PHE A 55 13.979 2.670 -19.761 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.436 2.678 -19.926 1.00 0.00 H new ATOM 859 N SER A 56 15.007 5.600 -24.248 1.00 0.00 N ATOM 860 CA SER A 56 16.215 5.421 -25.055 1.00 0.00 C ATOM 861 C SER A 56 16.186 6.227 -26.357 1.00 0.00 C ATOM 862 O SER A 56 17.226 6.439 -26.980 1.00 0.00 O ATOM 863 CB SER A 56 16.413 3.939 -25.381 1.00 0.00 C ATOM 864 OG SER A 56 15.517 3.515 -26.395 1.00 0.00 O ATOM 0 H SER A 56 14.607 4.727 -23.905 1.00 0.00 H new ATOM 0 HA SER A 56 17.048 5.794 -24.459 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.440 3.769 -25.704 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.259 3.342 -24.482 1.00 0.00 H new ATOM 0 HG SER A 56 15.665 2.565 -26.586 1.00 0.00 H new ATOM 870 N GLN A 57 15.002 6.667 -26.776 1.00 0.00 N ATOM 871 CA GLN A 57 14.875 7.431 -28.013 1.00 0.00 C ATOM 872 C GLN A 57 15.598 8.771 -27.909 1.00 0.00 C ATOM 873 O GLN A 57 16.103 9.291 -28.905 1.00 0.00 O ATOM 874 CB GLN A 57 13.400 7.659 -28.348 1.00 0.00 C ATOM 875 CG GLN A 57 12.626 6.374 -28.597 1.00 0.00 C ATOM 876 CD GLN A 57 12.960 5.741 -29.934 1.00 0.00 C ATOM 877 OE1 GLN A 57 13.725 6.295 -30.722 1.00 0.00 O ATOM 878 NE2 GLN A 57 12.385 4.572 -30.195 1.00 0.00 N ATOM 0 H GLN A 57 14.124 6.509 -26.282 1.00 0.00 H new ATOM 0 HA GLN A 57 15.338 6.853 -28.813 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.930 8.203 -27.529 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.331 8.292 -29.233 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.842 5.664 -27.799 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.557 6.584 -28.556 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.757 4.149 -29.512 1.00 0.00 H new ATOM 0 HE22 GLN A 57 12.572 4.098 -31.078 1.00 0.00 H new ATOM 887 N THR A 58 15.654 9.324 -26.703 1.00 0.00 N ATOM 888 CA THR A 58 16.325 10.601 -26.483 1.00 0.00 C ATOM 889 C THR A 58 17.376 10.496 -25.382 1.00 0.00 C ATOM 890 O THR A 58 17.970 11.500 -24.987 1.00 0.00 O ATOM 891 CB THR A 58 15.312 11.678 -26.092 1.00 0.00 C ATOM 892 OG1 THR A 58 14.983 11.569 -24.721 1.00 0.00 O ATOM 893 CG2 THR A 58 14.020 11.618 -26.876 1.00 0.00 C ATOM 0 H THR A 58 15.245 8.911 -25.865 1.00 0.00 H new ATOM 0 HA THR A 58 16.815 10.872 -27.418 1.00 0.00 H new ATOM 0 HB THR A 58 15.802 12.625 -26.318 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.362 12.329 -24.232 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.354 12.413 -26.541 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.232 11.746 -27.937 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.541 10.652 -26.715 1.00 0.00 H new ATOM 901 N CYS A 59 17.593 9.291 -24.867 1.00 0.00 N ATOM 902 CA CYS A 59 18.559 9.099 -23.797 1.00 0.00 C ATOM 903 C CYS A 59 19.710 8.199 -24.223 1.00 0.00 C ATOM 904 O CYS A 59 19.547 7.300 -25.048 1.00 0.00 O ATOM 905 CB CYS A 59 17.878 8.506 -22.564 1.00 0.00 C ATOM 906 SG CYS A 59 16.257 9.243 -22.182 1.00 0.00 S ATOM 0 H CYS A 59 17.117 8.441 -25.171 1.00 0.00 H new ATOM 0 HA CYS A 59 18.968 10.080 -23.555 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.751 7.434 -22.713 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.535 8.633 -21.703 1.00 0.00 H new ATOM 911 N TYR A 60 20.880 8.470 -23.656 1.00 0.00 N ATOM 912 CA TYR A 60 22.087 7.708 -23.951 1.00 0.00 C ATOM 913 C TYR A 60 22.919 7.548 -22.684 1.00 0.00 C ATOM 914 O TYR A 60 22.764 8.314 -21.729 1.00 0.00 O ATOM 915 CB TYR A 60 22.907 8.399 -25.043 1.00 0.00 C ATOM 916 CG TYR A 60 23.363 9.794 -24.679 1.00 0.00 C ATOM 917 CD1 TYR A 60 22.520 10.885 -24.839 1.00 0.00 C ATOM 918 CD2 TYR A 60 24.639 10.019 -24.178 1.00 0.00 C ATOM 919 CE1 TYR A 60 22.935 12.162 -24.511 1.00 0.00 C ATOM 920 CE2 TYR A 60 25.061 11.292 -23.847 1.00 0.00 C ATOM 921 CZ TYR A 60 24.205 12.360 -24.016 1.00 0.00 C ATOM 922 OH TYR A 60 24.623 13.630 -23.690 1.00 0.00 O ATOM 0 H TYR A 60 21.018 9.222 -22.981 1.00 0.00 H new ATOM 0 HA TYR A 60 21.799 6.721 -24.314 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.782 7.789 -25.267 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.311 8.449 -25.954 1.00 0.00 H new ATOM 0 HD1 TYR A 60 21.523 10.734 -25.226 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.312 9.185 -24.045 1.00 0.00 H new ATOM 0 HE1 TYR A 60 22.267 13.000 -24.642 1.00 0.00 H new ATOM 0 HE2 TYR A 60 26.056 11.450 -23.458 1.00 0.00 H new ATOM 0 HH TYR A 60 24.062 14.288 -24.151 1.00 0.00 H new ATOM 932 N ASN A 61 23.779 6.535 -22.663 1.00 0.00 N ATOM 933 CA ASN A 61 24.615 6.270 -21.498 1.00 0.00 C ATOM 934 C ASN A 61 23.750 5.922 -20.290 1.00 0.00 C ATOM 935 O ASN A 61 23.962 6.433 -19.190 1.00 0.00 O ATOM 936 CB ASN A 61 25.494 7.484 -21.183 1.00 0.00 C ATOM 937 CG ASN A 61 26.702 7.574 -22.095 1.00 0.00 C ATOM 938 OD1 ASN A 61 26.846 6.790 -23.033 1.00 0.00 O ATOM 939 ND2 ASN A 61 27.577 8.535 -21.824 1.00 0.00 N ATOM 0 H ASN A 61 23.915 5.886 -23.438 1.00 0.00 H new ATOM 0 HA ASN A 61 25.260 5.420 -21.724 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.901 8.393 -21.279 1.00 0.00 H new ATOM 0 HB3 ASN A 61 25.828 7.429 -20.147 1.00 0.00 H new ATOM 0 HD21 ASN A 61 28.409 8.646 -22.404 1.00 0.00 H new ATOM 0 HD22 ASN A 61 27.417 9.163 -21.036 1.00 0.00 H new ATOM 946 N SER A 62 22.769 5.054 -20.510 1.00 0.00 N ATOM 947 CA SER A 62 21.873 4.633 -19.443 1.00 0.00 C ATOM 948 C SER A 62 22.614 3.757 -18.444 1.00 0.00 C ATOM 949 O SER A 62 23.383 2.875 -18.824 1.00 0.00 O ATOM 950 CB SER A 62 20.664 3.889 -20.013 1.00 0.00 C ATOM 951 OG SER A 62 19.833 4.763 -20.757 1.00 0.00 O ATOM 0 H SER A 62 22.575 4.629 -21.417 1.00 0.00 H new ATOM 0 HA SER A 62 21.513 5.523 -18.926 1.00 0.00 H new ATOM 0 HB2 SER A 62 21.003 3.073 -20.651 1.00 0.00 H new ATOM 0 HB3 SER A 62 20.092 3.442 -19.200 1.00 0.00 H new ATOM 0 HG SER A 62 19.511 4.303 -21.561 1.00 0.00 H new ATOM 957 N ALA A 63 22.377 4.012 -17.165 1.00 0.00 N ATOM 958 CA ALA A 63 23.024 3.252 -16.106 1.00 0.00 C ATOM 959 C ALA A 63 22.072 2.969 -14.954 1.00 0.00 C ATOM 960 O ALA A 63 21.143 3.736 -14.697 1.00 0.00 O ATOM 961 CB ALA A 63 24.249 3.998 -15.601 1.00 0.00 C ATOM 0 H ALA A 63 21.742 4.739 -16.836 1.00 0.00 H new ATOM 0 HA ALA A 63 23.331 2.294 -16.525 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.726 3.421 -14.809 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.953 4.139 -16.421 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.948 4.970 -15.210 1.00 0.00 H new ATOM 967 N ILE A 64 22.307 1.861 -14.262 1.00 0.00 N ATOM 968 CA ILE A 64 21.467 1.481 -13.141 1.00 0.00 C ATOM 969 C ILE A 64 22.290 1.137 -11.905 1.00 0.00 C ATOM 970 O ILE A 64 23.326 0.478 -11.990 1.00 0.00 O ATOM 971 CB ILE A 64 20.554 0.297 -13.509 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.527 0.763 -14.542 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.857 -0.258 -12.271 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.477 -0.268 -14.868 1.00 0.00 C ATOM 0 H ILE A 64 23.070 1.214 -14.459 1.00 0.00 H new ATOM 0 HA ILE A 64 20.847 2.346 -12.905 1.00 0.00 H new ATOM 0 HB ILE A 64 21.159 -0.505 -13.933 1.00 0.00 H new ATOM 0 HG12 ILE A 64 19.036 1.663 -14.171 1.00 0.00 H new ATOM 0 HG13 ILE A 64 20.048 1.039 -15.459 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.218 -1.093 -12.557 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.604 -0.601 -11.556 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.250 0.524 -11.814 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.786 0.137 -15.607 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.956 -1.161 -15.270 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.928 -0.527 -13.963 1.00 0.00 H new ATOM 986 N GLN A 65 21.793 1.576 -10.758 1.00 0.00 N ATOM 987 CA GLN A 65 22.436 1.318 -9.478 1.00 0.00 C ATOM 988 C GLN A 65 21.370 0.991 -8.444 1.00 0.00 C ATOM 989 O GLN A 65 20.571 1.850 -8.070 1.00 0.00 O ATOM 990 CB GLN A 65 23.257 2.529 -9.027 1.00 0.00 C ATOM 991 CG GLN A 65 24.211 3.050 -10.088 1.00 0.00 C ATOM 992 CD GLN A 65 25.147 4.118 -9.555 1.00 0.00 C ATOM 993 OE1 GLN A 65 25.785 3.939 -8.518 1.00 0.00 O ATOM 994 NE2 GLN A 65 25.233 5.237 -10.265 1.00 0.00 N ATOM 0 H GLN A 65 20.933 2.121 -10.688 1.00 0.00 H new ATOM 0 HA GLN A 65 23.116 0.473 -9.585 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.577 3.330 -8.738 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.828 2.259 -8.139 1.00 0.00 H new ATOM 0 HG2 GLN A 65 24.798 2.221 -10.482 1.00 0.00 H new ATOM 0 HG3 GLN A 65 23.636 3.457 -10.920 1.00 0.00 H new ATOM 0 HE21 GLN A 65 24.685 5.342 -11.119 1.00 0.00 H new ATOM 0 HE22 GLN A 65 25.847 5.991 -9.956 1.00 0.00 H new ATOM 1003 N GLY A 66 21.341 -0.261 -8.005 1.00 0.00 N ATOM 1004 CA GLY A 66 20.343 -0.677 -7.041 1.00 0.00 C ATOM 1005 C GLY A 66 18.957 -0.697 -7.655 1.00 0.00 C ATOM 1006 O GLY A 66 18.726 -1.389 -8.647 1.00 0.00 O ATOM 0 H GLY A 66 21.988 -0.993 -8.298 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.590 -1.669 -6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.355 0.000 -6.187 1.00 0.00 H new ATOM 1010 N SER A 67 18.026 0.044 -7.064 1.00 0.00 N ATOM 1011 CA SER A 67 16.657 0.081 -7.567 1.00 0.00 C ATOM 1012 C SER A 67 16.368 1.353 -8.364 1.00 0.00 C ATOM 1013 O SER A 67 15.281 1.502 -8.921 1.00 0.00 O ATOM 1014 CB SER A 67 15.670 -0.032 -6.406 1.00 0.00 C ATOM 1015 OG SER A 67 15.511 1.214 -5.748 1.00 0.00 O ATOM 0 H SER A 67 18.192 0.624 -6.241 1.00 0.00 H new ATOM 0 HA SER A 67 16.537 -0.767 -8.242 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.705 -0.376 -6.777 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.023 -0.779 -5.696 1.00 0.00 H new ATOM 0 HG SER A 67 15.147 1.066 -4.850 1.00 0.00 H new ATOM 1021 N VAL A 68 17.335 2.265 -8.429 1.00 0.00 N ATOM 1022 CA VAL A 68 17.149 3.511 -9.169 1.00 0.00 C ATOM 1023 C VAL A 68 17.840 3.466 -10.529 1.00 0.00 C ATOM 1024 O VAL A 68 18.949 2.946 -10.660 1.00 0.00 O ATOM 1025 CB VAL A 68 17.677 4.726 -8.383 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.166 6.020 -8.998 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.275 4.631 -6.919 1.00 0.00 C ATOM 0 H VAL A 68 18.247 2.167 -7.983 1.00 0.00 H new ATOM 0 HA VAL A 68 16.074 3.620 -9.315 1.00 0.00 H new ATOM 0 HB VAL A 68 18.766 4.727 -8.438 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.548 6.868 -8.431 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.507 6.091 -10.031 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.076 6.029 -8.974 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.657 5.498 -6.380 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.188 4.605 -6.841 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.692 3.722 -6.486 1.00 0.00 H new ATOM 1037 N LEU A 69 17.175 4.012 -11.540 1.00 0.00 N ATOM 1038 CA LEU A 69 17.717 4.042 -12.890 1.00 0.00 C ATOM 1039 C LEU A 69 18.269 5.432 -13.207 1.00 0.00 C ATOM 1040 O LEU A 69 17.574 6.438 -13.050 1.00 0.00 O ATOM 1041 CB LEU A 69 16.625 3.652 -13.895 1.00 0.00 C ATOM 1042 CG LEU A 69 16.865 4.082 -15.346 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.233 3.623 -15.827 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.769 3.532 -16.248 1.00 0.00 C ATOM 0 H LEU A 69 16.255 4.442 -11.448 1.00 0.00 H new ATOM 0 HA LEU A 69 18.534 3.325 -12.964 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.508 2.569 -13.872 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.681 4.082 -13.561 1.00 0.00 H new ATOM 0 HG LEU A 69 16.839 5.171 -15.390 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.381 3.940 -16.859 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.007 4.064 -15.198 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.293 2.536 -15.769 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.952 3.845 -17.276 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.767 2.443 -16.195 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.802 3.913 -15.919 1.00 0.00 H new ATOM 1056 N THR A 70 19.524 5.490 -13.646 1.00 0.00 N ATOM 1057 CA THR A 70 20.157 6.759 -13.978 1.00 0.00 C ATOM 1058 C THR A 70 20.518 6.790 -15.459 1.00 0.00 C ATOM 1059 O THR A 70 21.193 5.892 -15.957 1.00 0.00 O ATOM 1060 CB THR A 70 21.409 6.960 -13.122 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.182 6.520 -11.794 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.867 8.400 -13.052 1.00 0.00 C ATOM 0 H THR A 70 20.120 4.673 -13.779 1.00 0.00 H new ATOM 0 HA THR A 70 19.458 7.569 -13.771 1.00 0.00 H new ATOM 0 HB THR A 70 22.187 6.373 -13.610 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.994 6.655 -11.262 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.759 8.468 -12.429 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.097 8.758 -14.056 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.075 9.013 -12.621 1.00 0.00 H new ATOM 1070 N SER A 71 20.048 7.810 -16.168 1.00 0.00 N ATOM 1071 CA SER A 71 20.313 7.923 -17.600 1.00 0.00 C ATOM 1072 C SER A 71 20.314 9.379 -18.053 1.00 0.00 C ATOM 1073 O SER A 71 19.650 10.224 -17.451 1.00 0.00 O ATOM 1074 CB SER A 71 19.274 7.127 -18.392 1.00 0.00 C ATOM 1075 OG SER A 71 19.294 7.484 -19.763 1.00 0.00 O ATOM 0 H SER A 71 19.485 8.567 -15.779 1.00 0.00 H new ATOM 0 HA SER A 71 21.304 7.511 -17.791 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.472 6.060 -18.288 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.281 7.308 -17.980 1.00 0.00 H new ATOM 0 HG SER A 71 19.485 6.690 -20.305 1.00 0.00 H new ATOM 1081 N THR A 72 21.041 9.668 -19.132 1.00 0.00 N ATOM 1082 CA THR A 72 21.088 11.019 -19.670 1.00 0.00 C ATOM 1083 C THR A 72 20.052 11.152 -20.782 1.00 0.00 C ATOM 1084 O THR A 72 20.028 10.347 -21.712 1.00 0.00 O ATOM 1085 CB THR A 72 22.488 11.333 -20.203 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.472 11.037 -19.228 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.668 12.780 -20.611 1.00 0.00 C ATOM 0 H THR A 72 21.601 8.987 -19.645 1.00 0.00 H new ATOM 0 HA THR A 72 20.860 11.732 -18.877 1.00 0.00 H new ATOM 0 HB THR A 72 22.605 10.708 -21.088 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.360 11.242 -19.587 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.683 12.931 -20.979 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.956 13.027 -21.399 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.495 13.425 -19.750 1.00 0.00 H new ATOM 1095 N CYS A 73 19.180 12.149 -20.679 1.00 0.00 N ATOM 1096 CA CYS A 73 18.136 12.331 -21.681 1.00 0.00 C ATOM 1097 C CYS A 73 18.122 13.737 -22.261 1.00 0.00 C ATOM 1098 O CYS A 73 18.356 14.721 -21.561 1.00 0.00 O ATOM 1099 CB CYS A 73 16.768 12.015 -21.080 1.00 0.00 C ATOM 1100 SG CYS A 73 16.595 10.303 -20.486 1.00 0.00 S ATOM 0 H CYS A 73 19.174 12.834 -19.924 1.00 0.00 H new ATOM 0 HA CYS A 73 18.356 11.641 -22.495 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.581 12.697 -20.250 1.00 0.00 H new ATOM 0 HB3 CYS A 73 16.000 12.208 -21.830 1.00 0.00 H new ATOM 1105 N GLU A 74 17.788 13.811 -23.543 1.00 0.00 N ATOM 1106 CA GLU A 74 17.691 15.084 -24.247 1.00 0.00 C ATOM 1107 C GLU A 74 16.424 15.830 -23.838 1.00 0.00 C ATOM 1108 O GLU A 74 15.354 15.232 -23.723 1.00 0.00 O ATOM 1109 CB GLU A 74 17.702 14.853 -25.759 1.00 0.00 C ATOM 1110 CG GLU A 74 17.650 16.134 -26.575 1.00 0.00 C ATOM 1111 CD GLU A 74 16.828 15.984 -27.840 1.00 0.00 C ATOM 1112 OE1 GLU A 74 15.607 15.745 -27.731 1.00 0.00 O ATOM 1113 OE2 GLU A 74 17.407 16.103 -28.941 1.00 0.00 O ATOM 0 H GLU A 74 17.578 12.997 -24.121 1.00 0.00 H new ATOM 0 HA GLU A 74 18.553 15.694 -23.976 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.602 14.299 -26.026 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.851 14.227 -26.028 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.229 16.933 -25.965 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.664 16.435 -26.838 1.00 0.00 H new ATOM 1120 N ARG A 75 16.543 17.135 -23.624 1.00 0.00 N ATOM 1121 CA ARG A 75 15.396 17.947 -23.237 1.00 0.00 C ATOM 1122 C ARG A 75 14.736 18.561 -24.466 1.00 0.00 C ATOM 1123 O ARG A 75 15.410 18.908 -25.435 1.00 0.00 O ATOM 1124 CB ARG A 75 15.822 19.045 -22.262 1.00 0.00 C ATOM 1125 CG ARG A 75 16.700 18.542 -21.129 1.00 0.00 C ATOM 1126 CD ARG A 75 16.769 19.546 -19.989 1.00 0.00 C ATOM 1127 NE ARG A 75 15.480 19.704 -19.319 1.00 0.00 N ATOM 1128 CZ ARG A 75 15.289 20.484 -18.257 1.00 0.00 C ATOM 1129 NH1 ARG A 75 16.299 21.178 -17.745 1.00 0.00 N ATOM 1130 NH2 ARG A 75 14.086 20.572 -17.706 1.00 0.00 N ATOM 0 H ARG A 75 17.418 17.652 -23.711 1.00 0.00 H new ATOM 0 HA ARG A 75 14.672 17.301 -22.740 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.359 19.819 -22.811 1.00 0.00 H new ATOM 0 HB3 ARG A 75 14.931 19.512 -21.841 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.309 17.595 -20.758 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.704 18.347 -21.505 1.00 0.00 H new ATOM 0 HD2 ARG A 75 17.516 19.221 -19.265 1.00 0.00 H new ATOM 0 HD3 ARG A 75 17.097 20.511 -20.375 1.00 0.00 H new ATOM 0 HE ARG A 75 14.681 19.187 -19.686 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.226 21.115 -18.165 1.00 0.00 H new ATOM 0 HH12 ARG A 75 16.148 21.774 -16.931 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.307 20.042 -18.096 1.00 0.00 H new ATOM 0 HH22 ARG A 75 13.940 21.170 -16.892 1.00 0.00 H new ATOM 1144 N THR A 76 13.412 18.682 -24.428 1.00 0.00 N ATOM 1145 CA THR A 76 12.660 19.243 -25.546 1.00 0.00 C ATOM 1146 C THR A 76 13.220 20.598 -25.973 1.00 0.00 C ATOM 1147 O THR A 76 13.075 21.003 -27.127 1.00 0.00 O ATOM 1148 CB THR A 76 11.185 19.388 -25.170 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.670 18.163 -24.679 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.312 19.820 -26.328 1.00 0.00 C ATOM 0 H THR A 76 12.837 18.399 -23.634 1.00 0.00 H new ATOM 0 HA THR A 76 12.755 18.556 -26.387 1.00 0.00 H new ATOM 0 HB THR A 76 11.157 20.164 -24.405 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.403 18.272 -23.742 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.278 19.904 -25.993 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.652 20.787 -26.699 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.376 19.081 -27.127 1.00 0.00 H new ATOM 1158 N ASN A 77 13.861 21.295 -25.040 1.00 0.00 N ATOM 1159 CA ASN A 77 14.441 22.602 -25.330 1.00 0.00 C ATOM 1160 C ASN A 77 15.819 22.469 -25.977 1.00 0.00 C ATOM 1161 O ASN A 77 16.463 23.469 -26.296 1.00 0.00 O ATOM 1162 CB ASN A 77 14.548 23.428 -24.048 1.00 0.00 C ATOM 1163 CG ASN A 77 14.332 24.907 -24.295 1.00 0.00 C ATOM 1164 OD1 ASN A 77 15.282 25.691 -24.313 1.00 0.00 O ATOM 1165 ND2 ASN A 77 13.078 25.297 -24.486 1.00 0.00 N ATOM 0 H ASN A 77 13.992 20.978 -24.079 1.00 0.00 H new ATOM 0 HA ASN A 77 13.782 23.110 -26.034 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.813 23.072 -23.327 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.531 23.276 -23.602 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.870 26.281 -24.656 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.322 24.613 -24.463 1.00 0.00 H new ATOM 1172 N GLY A 78 16.264 21.233 -26.176 1.00 0.00 N ATOM 1173 CA GLY A 78 17.556 20.998 -26.787 1.00 0.00 C ATOM 1174 C GLY A 78 18.669 20.866 -25.773 1.00 0.00 C ATOM 1175 O GLY A 78 18.732 21.612 -24.796 1.00 0.00 O ATOM 0 H GLY A 78 15.750 20.389 -25.924 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.509 20.090 -27.388 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.786 21.818 -27.467 1.00 0.00 H new ATOM 1179 N GLY A 79 19.526 19.890 -26.002 1.00 0.00 N ATOM 1180 CA GLY A 79 20.628 19.627 -25.098 1.00 0.00 C ATOM 1181 C GLY A 79 20.472 18.279 -24.428 1.00 0.00 C ATOM 1182 O GLY A 79 19.664 17.464 -24.872 1.00 0.00 O ATOM 0 H GLY A 79 19.480 19.266 -26.807 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.569 19.657 -25.648 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.676 20.410 -24.341 1.00 0.00 H new ATOM 1186 N TYR A 80 21.250 18.028 -23.378 1.00 0.00 N ATOM 1187 CA TYR A 80 21.181 16.750 -22.672 1.00 0.00 C ATOM 1188 C TYR A 80 21.100 16.955 -21.159 1.00 0.00 C ATOM 1189 O TYR A 80 21.723 17.863 -20.609 1.00 0.00 O ATOM 1190 CB TYR A 80 22.403 15.892 -23.011 1.00 0.00 C ATOM 1191 CG TYR A 80 22.670 15.764 -24.496 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.656 15.418 -25.378 1.00 0.00 C ATOM 1193 CD2 TYR A 80 23.939 15.990 -25.013 1.00 0.00 C ATOM 1194 CE1 TYR A 80 21.898 15.300 -26.733 1.00 0.00 C ATOM 1195 CE2 TYR A 80 24.189 15.875 -26.367 1.00 0.00 C ATOM 1196 CZ TYR A 80 23.166 15.530 -27.222 1.00 0.00 C ATOM 1197 OH TYR A 80 23.410 15.412 -28.571 1.00 0.00 O ATOM 0 H TYR A 80 21.931 18.686 -22.999 1.00 0.00 H new ATOM 0 HA TYR A 80 20.276 16.238 -22.998 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.281 16.322 -22.530 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.264 14.896 -22.590 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.661 15.238 -24.999 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.744 16.260 -24.346 1.00 0.00 H new ATOM 0 HE1 TYR A 80 21.098 15.029 -27.406 1.00 0.00 H new ATOM 0 HE2 TYR A 80 25.182 16.055 -26.753 1.00 0.00 H new ATOM 0 HH TYR A 80 24.353 15.608 -28.751 1.00 0.00 H new ATOM 1207 N ASN A 81 20.318 16.104 -20.497 1.00 0.00 N ATOM 1208 CA ASN A 81 20.140 16.177 -19.050 1.00 0.00 C ATOM 1209 C ASN A 81 19.770 14.801 -18.496 1.00 0.00 C ATOM 1210 O ASN A 81 18.857 14.145 -18.996 1.00 0.00 O ATOM 1211 CB ASN A 81 19.057 17.199 -18.697 1.00 0.00 C ATOM 1212 CG ASN A 81 19.018 17.517 -17.214 1.00 0.00 C ATOM 1213 OD1 ASN A 81 19.752 18.381 -16.733 1.00 0.00 O ATOM 1214 ND2 ASN A 81 18.158 16.820 -16.481 1.00 0.00 N ATOM 0 H ASN A 81 19.795 15.351 -20.945 1.00 0.00 H new ATOM 0 HA ASN A 81 21.079 16.497 -18.598 1.00 0.00 H new ATOM 0 HB2 ASN A 81 19.232 18.117 -19.257 1.00 0.00 H new ATOM 0 HB3 ASN A 81 18.085 16.816 -19.009 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.087 16.991 -15.478 1.00 0.00 H new ATOM 0 HD22 ASN A 81 17.569 16.113 -16.921 1.00 0.00 H new ATOM 1221 N THR A 82 20.498 14.365 -17.473 1.00 0.00 N ATOM 1222 CA THR A 82 20.264 13.059 -16.855 1.00 0.00 C ATOM 1223 C THR A 82 19.304 13.159 -15.675 1.00 0.00 C ATOM 1224 O THR A 82 19.431 14.048 -14.833 1.00 0.00 O ATOM 1225 CB THR A 82 21.586 12.434 -16.407 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.353 11.298 -15.593 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.463 13.384 -15.628 1.00 0.00 C ATOM 0 H THR A 82 21.259 14.898 -17.051 1.00 0.00 H new ATOM 0 HA THR A 82 19.804 12.418 -17.607 1.00 0.00 H new ATOM 0 HB THR A 82 22.103 12.161 -17.327 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.668 10.733 -16.008 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.384 12.877 -15.341 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.703 14.249 -16.247 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.936 13.714 -14.732 1.00 0.00 H new ATOM 1235 N SER A 83 18.342 12.237 -15.616 1.00 0.00 N ATOM 1236 CA SER A 83 17.358 12.210 -14.539 1.00 0.00 C ATOM 1237 C SER A 83 17.405 10.865 -13.808 1.00 0.00 C ATOM 1238 O SER A 83 17.878 9.865 -14.355 1.00 0.00 O ATOM 1239 CB SER A 83 15.954 12.457 -15.100 1.00 0.00 C ATOM 1240 OG SER A 83 15.486 11.330 -15.820 1.00 0.00 O ATOM 0 H SER A 83 18.225 11.496 -16.307 1.00 0.00 H new ATOM 0 HA SER A 83 17.597 13.001 -13.829 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.267 12.682 -14.284 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.969 13.329 -15.753 1.00 0.00 H new ATOM 0 HG SER A 83 15.302 11.588 -16.747 1.00 0.00 H new ATOM 1246 N SER A 84 16.921 10.845 -12.569 1.00 0.00 N ATOM 1247 CA SER A 84 16.917 9.622 -11.774 1.00 0.00 C ATOM 1248 C SER A 84 15.504 9.262 -11.324 1.00 0.00 C ATOM 1249 O SER A 84 14.684 10.142 -11.059 1.00 0.00 O ATOM 1250 CB SER A 84 17.833 9.775 -10.558 1.00 0.00 C ATOM 1251 OG SER A 84 19.083 10.332 -10.926 1.00 0.00 O ATOM 0 H SER A 84 16.528 11.659 -12.096 1.00 0.00 H new ATOM 0 HA SER A 84 17.291 8.813 -12.401 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.353 10.412 -9.815 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.988 8.802 -10.091 1.00 0.00 H new ATOM 0 HG SER A 84 19.649 10.421 -10.131 1.00 0.00 H new ATOM 1257 N ILE A 85 15.225 7.962 -11.243 1.00 0.00 N ATOM 1258 CA ILE A 85 13.904 7.488 -10.834 1.00 0.00 C ATOM 1259 C ILE A 85 13.983 6.210 -9.994 1.00 0.00 C ATOM 1260 O ILE A 85 14.812 5.339 -10.252 1.00 0.00 O ATOM 1261 CB ILE A 85 13.020 7.223 -12.066 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.595 6.878 -11.638 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.613 6.104 -12.914 1.00 0.00 C ATOM 1264 CD1 ILE A 85 10.667 6.607 -12.802 1.00 0.00 C ATOM 0 H ILE A 85 15.893 7.221 -11.454 1.00 0.00 H new ATOM 0 HA ILE A 85 13.465 8.275 -10.221 1.00 0.00 H new ATOM 0 HB ILE A 85 12.985 8.130 -12.669 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.620 6.001 -10.991 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.192 7.700 -11.046 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.977 5.928 -13.781 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.610 6.390 -13.248 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.677 5.192 -12.320 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.672 6.369 -12.426 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.613 7.491 -13.437 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.047 5.766 -13.382 1.00 0.00 H new ATOM 1276 N ASP A 86 13.096 6.104 -9.000 1.00 0.00 N ATOM 1277 CA ASP A 86 13.039 4.931 -8.122 1.00 0.00 C ATOM 1278 C ASP A 86 11.974 3.943 -8.607 1.00 0.00 C ATOM 1279 O ASP A 86 10.781 4.246 -8.583 1.00 0.00 O ATOM 1280 CB ASP A 86 12.726 5.361 -6.687 1.00 0.00 C ATOM 1281 CG ASP A 86 12.676 4.186 -5.730 1.00 0.00 C ATOM 1282 OD1 ASP A 86 11.589 3.589 -5.580 1.00 0.00 O ATOM 1283 OD2 ASP A 86 13.723 3.862 -5.132 1.00 0.00 O ATOM 0 H ASP A 86 12.404 6.821 -8.782 1.00 0.00 H new ATOM 0 HA ASP A 86 14.011 4.439 -8.147 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.483 6.069 -6.349 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.769 5.883 -6.667 1.00 0.00 H new ATOM 1288 N LEU A 87 12.411 2.769 -9.058 1.00 0.00 N ATOM 1289 CA LEU A 87 11.488 1.752 -9.571 1.00 0.00 C ATOM 1290 C LEU A 87 11.110 0.698 -8.528 1.00 0.00 C ATOM 1291 O LEU A 87 10.281 -0.169 -8.802 1.00 0.00 O ATOM 1292 CB LEU A 87 12.084 1.074 -10.801 1.00 0.00 C ATOM 1293 CG LEU A 87 12.765 2.024 -11.784 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.527 1.243 -12.843 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.734 2.939 -12.427 1.00 0.00 C ATOM 0 H LEU A 87 13.394 2.497 -9.080 1.00 0.00 H new ATOM 0 HA LEU A 87 10.569 2.274 -9.839 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.810 0.330 -10.473 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.292 0.538 -11.324 1.00 0.00 H new ATOM 0 HG LEU A 87 13.481 2.638 -11.237 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.005 1.938 -13.534 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.288 0.627 -12.364 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.835 0.604 -13.392 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.230 3.612 -13.126 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.998 2.339 -12.962 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.234 3.523 -11.654 1.00 0.00 H new ATOM 1307 N ASN A 88 11.722 0.744 -7.346 1.00 0.00 N ATOM 1308 CA ASN A 88 11.441 -0.247 -6.301 1.00 0.00 C ATOM 1309 C ASN A 88 9.940 -0.508 -6.149 1.00 0.00 C ATOM 1310 O ASN A 88 9.534 -1.597 -5.745 1.00 0.00 O ATOM 1311 CB ASN A 88 12.004 0.245 -4.965 1.00 0.00 C ATOM 1312 CG ASN A 88 11.845 -0.779 -3.860 1.00 0.00 C ATOM 1313 OD1 ASN A 88 12.364 -1.977 -4.092 1.00 0.00 O flip ATOM 1314 ND2 ASN A 88 11.263 -0.497 -2.812 1.00 0.00 N flip ATOM 0 H ASN A 88 12.411 1.450 -7.086 1.00 0.00 H new ATOM 0 HA ASN A 88 11.918 -1.182 -6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 88 13.060 0.485 -5.085 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.498 1.167 -4.678 1.00 0.00 H new ATOM 0 HD21 ASN A 88 10.879 0.438 -2.677 1.00 0.00 H new ATOM 0 HD22 ASN A 88 11.165 -1.199 -2.078 1.00 0.00 H new ATOM 1321 N SER A 89 9.123 0.488 -6.471 1.00 0.00 N ATOM 1322 CA SER A 89 7.673 0.349 -6.362 1.00 0.00 C ATOM 1323 C SER A 89 7.053 -0.358 -7.573 1.00 0.00 C ATOM 1324 O SER A 89 6.109 -1.134 -7.425 1.00 0.00 O ATOM 1325 CB SER A 89 7.024 1.722 -6.187 1.00 0.00 C ATOM 1326 OG SER A 89 7.423 2.324 -4.968 1.00 0.00 O ATOM 0 H SER A 89 9.437 1.398 -6.809 1.00 0.00 H new ATOM 0 HA SER A 89 7.482 -0.272 -5.487 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.299 2.367 -7.022 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.939 1.620 -6.208 1.00 0.00 H new ATOM 0 HG SER A 89 6.995 3.202 -4.881 1.00 0.00 H new ATOM 1332 N VAL A 90 7.552 -0.054 -8.770 1.00 0.00 N ATOM 1333 CA VAL A 90 7.002 -0.638 -9.993 1.00 0.00 C ATOM 1334 C VAL A 90 7.362 -2.114 -10.175 1.00 0.00 C ATOM 1335 O VAL A 90 6.479 -2.947 -10.382 1.00 0.00 O ATOM 1336 CB VAL A 90 7.421 0.162 -11.251 1.00 0.00 C ATOM 1337 CG1 VAL A 90 7.241 1.650 -11.014 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.856 -0.136 -11.659 1.00 0.00 C ATOM 0 H VAL A 90 8.330 0.588 -8.919 1.00 0.00 H new ATOM 0 HA VAL A 90 5.920 -0.578 -9.876 1.00 0.00 H new ATOM 0 HB VAL A 90 6.773 -0.151 -12.070 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.540 2.199 -11.907 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.194 1.859 -10.792 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.860 1.962 -10.172 1.00 0.00 H new ATOM 0 HG21 VAL A 90 9.110 0.445 -12.545 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.529 0.131 -10.844 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.958 -1.198 -11.880 1.00 0.00 H new ATOM 1348 N ILE A 91 8.648 -2.438 -10.124 1.00 0.00 N ATOM 1349 CA ILE A 91 9.082 -3.815 -10.307 1.00 0.00 C ATOM 1350 C ILE A 91 8.962 -4.611 -9.010 1.00 0.00 C ATOM 1351 O ILE A 91 9.105 -4.064 -7.916 1.00 0.00 O ATOM 1352 CB ILE A 91 10.525 -3.892 -10.860 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.592 -3.253 -12.256 1.00 0.00 C ATOM 1354 CG2 ILE A 91 11.000 -5.339 -10.912 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.277 -1.899 -12.273 1.00 0.00 C ATOM 0 H ILE A 91 9.402 -1.771 -9.959 1.00 0.00 H new ATOM 0 HA ILE A 91 8.418 -4.263 -11.046 1.00 0.00 H new ATOM 0 HB ILE A 91 11.185 -3.339 -10.191 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.121 -3.927 -12.930 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.580 -3.143 -12.645 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.017 -5.374 -11.303 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.983 -5.764 -9.908 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.341 -5.915 -11.561 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.287 -1.509 -13.291 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.736 -1.209 -11.626 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.301 -2.005 -11.915 1.00 0.00 H new ATOM 1367 N GLU A 92 8.675 -5.903 -9.144 1.00 0.00 N ATOM 1368 CA GLU A 92 8.505 -6.783 -7.995 1.00 0.00 C ATOM 1369 C GLU A 92 9.171 -8.127 -8.258 1.00 0.00 C ATOM 1370 O GLU A 92 9.534 -8.427 -9.393 1.00 0.00 O ATOM 1371 CB GLU A 92 7.014 -7.001 -7.730 1.00 0.00 C ATOM 1372 CG GLU A 92 6.700 -7.353 -6.286 1.00 0.00 C ATOM 1373 CD GLU A 92 5.293 -6.959 -5.881 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.389 -7.022 -6.740 1.00 0.00 O ATOM 1375 OE2 GLU A 92 5.095 -6.590 -4.704 1.00 0.00 O ATOM 0 H GLU A 92 8.555 -6.365 -10.045 1.00 0.00 H new ATOM 0 HA GLU A 92 8.969 -6.318 -7.125 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.469 -6.097 -8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.651 -7.799 -8.377 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.828 -8.426 -6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.415 -6.855 -5.631 1.00 0.00 H new ATOM 1382 N ASN A 93 9.343 -8.939 -7.214 1.00 0.00 N ATOM 1383 CA ASN A 93 9.976 -10.243 -7.371 1.00 0.00 C ATOM 1384 C ASN A 93 8.944 -11.360 -7.256 1.00 0.00 C ATOM 1385 O ASN A 93 8.555 -11.756 -6.158 1.00 0.00 O ATOM 1386 CB ASN A 93 11.060 -10.425 -6.305 1.00 0.00 C ATOM 1387 CG ASN A 93 11.753 -11.772 -6.392 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.915 -12.332 -7.476 1.00 0.00 O ATOM 1389 ND2 ASN A 93 12.166 -12.298 -5.245 1.00 0.00 N ATOM 0 H ASN A 93 9.055 -8.717 -6.261 1.00 0.00 H new ATOM 0 HA ASN A 93 10.430 -10.292 -8.361 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.802 -9.633 -6.409 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.613 -10.315 -5.317 1.00 0.00 H new ATOM 0 HD21 ASN A 93 12.639 -13.202 -5.239 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.010 -11.798 -4.369 1.00 0.00 H new ATOM 1396 N VAL A 94 8.517 -11.868 -8.405 1.00 0.00 N ATOM 1397 CA VAL A 94 7.541 -12.949 -8.457 1.00 0.00 C ATOM 1398 C VAL A 94 8.226 -14.295 -8.653 1.00 0.00 C ATOM 1399 O VAL A 94 8.546 -14.673 -9.780 1.00 0.00 O ATOM 1400 CB VAL A 94 6.524 -12.730 -9.592 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.439 -13.796 -9.554 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.920 -11.338 -9.498 1.00 0.00 C ATOM 0 H VAL A 94 8.834 -11.546 -9.319 1.00 0.00 H new ATOM 0 HA VAL A 94 7.014 -12.949 -7.503 1.00 0.00 H new ATOM 0 HB VAL A 94 7.045 -12.814 -10.546 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.731 -13.623 -10.364 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.892 -14.780 -9.672 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.916 -13.749 -8.599 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.203 -11.197 -10.307 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.413 -11.225 -8.540 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.711 -10.592 -9.580 1.00 0.00 H new ATOM 1412 N ASP A 95 8.454 -15.024 -7.564 1.00 0.00 N ATOM 1413 CA ASP A 95 9.102 -16.329 -7.641 1.00 0.00 C ATOM 1414 C ASP A 95 10.425 -16.254 -8.400 1.00 0.00 C ATOM 1415 O ASP A 95 10.804 -17.197 -9.093 1.00 0.00 O ATOM 1416 CB ASP A 95 8.177 -17.350 -8.303 1.00 0.00 C ATOM 1417 CG ASP A 95 8.574 -18.778 -7.979 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.313 -18.980 -6.990 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.148 -19.694 -8.714 1.00 0.00 O ATOM 0 H ASP A 95 8.200 -14.734 -6.620 1.00 0.00 H new ATOM 0 HA ASP A 95 9.315 -16.649 -6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.152 -17.176 -7.974 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.194 -17.206 -9.383 1.00 0.00 H new ATOM 1424 N GLY A 96 11.124 -15.130 -8.265 1.00 0.00 N ATOM 1425 CA GLY A 96 12.405 -14.968 -8.939 1.00 0.00 C ATOM 1426 C GLY A 96 12.290 -14.315 -10.303 1.00 0.00 C ATOM 1427 O GLY A 96 13.110 -14.567 -11.187 1.00 0.00 O ATOM 0 H GLY A 96 10.830 -14.331 -7.704 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.064 -14.368 -8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.874 -15.945 -9.051 1.00 0.00 H new ATOM 1431 N SER A 97 11.274 -13.478 -10.483 1.00 0.00 N ATOM 1432 CA SER A 97 11.069 -12.796 -11.757 1.00 0.00 C ATOM 1433 C SER A 97 10.601 -11.361 -11.540 1.00 0.00 C ATOM 1434 O SER A 97 9.726 -11.101 -10.714 1.00 0.00 O ATOM 1435 CB SER A 97 10.051 -13.557 -12.609 1.00 0.00 C ATOM 1436 OG SER A 97 10.270 -13.328 -13.990 1.00 0.00 O ATOM 0 H SER A 97 10.582 -13.256 -9.767 1.00 0.00 H new ATOM 0 HA SER A 97 12.023 -12.769 -12.283 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.121 -14.624 -12.398 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.042 -13.245 -12.341 1.00 0.00 H new ATOM 0 HG SER A 97 9.608 -13.826 -14.513 1.00 0.00 H new ATOM 1442 N LEU A 98 11.192 -10.430 -12.286 1.00 0.00 N ATOM 1443 CA LEU A 98 10.835 -9.021 -12.168 1.00 0.00 C ATOM 1444 C LEU A 98 9.486 -8.742 -12.819 1.00 0.00 C ATOM 1445 O LEU A 98 9.304 -8.967 -14.015 1.00 0.00 O ATOM 1446 CB LEU A 98 11.904 -8.132 -12.809 1.00 0.00 C ATOM 1447 CG LEU A 98 13.320 -8.311 -12.263 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.265 -7.320 -12.923 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.334 -8.141 -10.751 1.00 0.00 C ATOM 0 H LEU A 98 11.917 -10.626 -12.976 1.00 0.00 H new ATOM 0 HA LEU A 98 10.769 -8.789 -11.105 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.919 -8.327 -13.881 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.612 -7.090 -12.679 1.00 0.00 H new ATOM 0 HG LEU A 98 13.659 -9.321 -12.495 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.271 -7.457 -12.526 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.274 -7.488 -14.000 1.00 0.00 H new ATOM 0 HD13 LEU A 98 13.929 -6.304 -12.717 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.350 -8.272 -10.380 1.00 0.00 H new ATOM 0 HD22 LEU A 98 12.979 -7.143 -10.494 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.682 -8.886 -10.295 1.00 0.00 H new ATOM 1461 N LYS A 99 8.545 -8.253 -12.021 1.00 0.00 N ATOM 1462 CA LYS A 99 7.207 -7.940 -12.509 1.00 0.00 C ATOM 1463 C LYS A 99 6.863 -6.479 -12.254 1.00 0.00 C ATOM 1464 O LYS A 99 7.173 -5.935 -11.198 1.00 0.00 O ATOM 1465 CB LYS A 99 6.175 -8.846 -11.832 1.00 0.00 C ATOM 1466 CG LYS A 99 6.072 -10.228 -12.463 1.00 0.00 C ATOM 1467 CD LYS A 99 4.625 -10.678 -12.601 1.00 0.00 C ATOM 1468 CE LYS A 99 4.520 -12.192 -12.716 1.00 0.00 C ATOM 1469 NZ LYS A 99 4.565 -12.649 -14.133 1.00 0.00 N ATOM 0 H LYS A 99 8.684 -8.064 -11.028 1.00 0.00 H new ATOM 0 HA LYS A 99 7.187 -8.115 -13.585 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.434 -8.955 -10.779 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.198 -8.364 -11.872 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.544 -10.216 -13.445 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.620 -10.947 -11.855 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.053 -10.337 -11.738 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.181 -10.214 -13.481 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.335 -12.655 -12.160 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.590 -12.527 -12.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.491 -13.686 -14.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.773 -12.228 -14.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.463 -12.353 -14.565 1.00 0.00 H new ATOM 1483 N TYR A 100 6.221 -5.849 -13.232 1.00 0.00 N ATOM 1484 CA TYR A 100 5.836 -4.449 -13.114 1.00 0.00 C ATOM 1485 C TYR A 100 4.542 -4.314 -12.317 1.00 0.00 C ATOM 1486 O TYR A 100 4.316 -3.307 -11.645 1.00 0.00 O ATOM 1487 CB TYR A 100 5.669 -3.827 -14.503 1.00 0.00 C ATOM 1488 CG TYR A 100 5.246 -2.376 -14.475 1.00 0.00 C ATOM 1489 CD1 TYR A 100 6.190 -1.357 -14.422 1.00 0.00 C ATOM 1490 CD2 TYR A 100 3.903 -2.025 -14.501 1.00 0.00 C ATOM 1491 CE1 TYR A 100 5.806 -0.030 -14.395 1.00 0.00 C ATOM 1492 CE2 TYR A 100 3.511 -0.700 -14.475 1.00 0.00 C ATOM 1493 CZ TYR A 100 4.466 0.293 -14.422 1.00 0.00 C ATOM 1494 OH TYR A 100 4.079 1.613 -14.395 1.00 0.00 O ATOM 0 H TYR A 100 5.957 -6.286 -14.115 1.00 0.00 H new ATOM 0 HA TYR A 100 6.626 -3.918 -12.583 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.612 -3.911 -15.044 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.929 -4.401 -15.061 1.00 0.00 H new ATOM 0 HD1 TYR A 100 7.241 -1.607 -14.402 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.152 -2.800 -14.542 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.552 0.750 -14.353 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.462 -0.444 -14.496 1.00 0.00 H new ATOM 0 HH TYR A 100 3.101 1.668 -14.421 1.00 0.00 H new