USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 SER OG : rot 140:sc= -0.138 USER MOD Set 1.2: A 71 SER OG : rot 125:sc= -0.189 USER MOD Set 2.1: A 43 ASN : amide:sc= -3.41! C(o=-5.6!,f=-5.6!) USER MOD Set 2.2: A 58 THR OG1 : rot 126:sc= -2.19! USER MOD Set 3.1: A 7 THR OG1 : rot -140:sc= 0.12 USER MOD Set 3.2: A 93 ASN : amide:sc= -0.119! C(o=0.0015!,f=-7!) USER MOD Single : A 10 ASN : amide:sc= -7.15! C(o=-7.2!,f=-15!) USER MOD Single : A 11 THR OG1 : rot -70:sc= -1.35 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 -159:sc= -1.76 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0109 USER MOD Single : A 33 THR OG1 : rot 60:sc= -1.49 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -2.58 K(o=-2.6,f=-9.7!) USER MOD Single : A 40 HIS : no HE2:sc= -5.22! C(o=-5.2!,f=-4.7!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 53 SER OG : rot 180:sc= -1.17 USER MOD Single : A 54 ASN : amide:sc= -2.23 K(o=-2.2,f=-1.6!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot -33:sc= 0.482 USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 65 GLN : amide:sc= 0.417 X(o=0.42,f=0) USER MOD Single : A 67 SER OG : rot 111: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 180:sc= -0.263 USER MOD Single : A 77 ASN : amide:sc= -0.427 X(o=-0.43,f=-0.3) 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= 0.931 USER MOD Single : A 83 SER OG : rot -120:sc= 0.0622 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -6.68! 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 82:sc= 0.0443 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 11.371 -5.192 -5.243 1.00 0.00 N ATOM 59 CA PHE A 4 12.269 -6.174 -5.855 1.00 0.00 C ATOM 60 C PHE A 4 13.702 -6.015 -5.350 1.00 0.00 C ATOM 61 O PHE A 4 14.392 -7.002 -5.101 1.00 0.00 O ATOM 62 CB PHE A 4 12.231 -6.055 -7.384 1.00 0.00 C ATOM 63 CG PHE A 4 13.027 -4.905 -7.941 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.492 -3.628 -7.979 1.00 0.00 C ATOM 65 CD2 PHE A 4 14.310 -5.106 -8.430 1.00 0.00 C ATOM 66 CE1 PHE A 4 13.221 -2.572 -8.494 1.00 0.00 C ATOM 67 CE2 PHE A 4 15.043 -4.054 -8.946 1.00 0.00 C ATOM 68 CZ PHE A 4 14.497 -2.785 -8.978 1.00 0.00 C ATOM 0 HA PHE A 4 11.920 -7.165 -5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.605 -6.983 -7.817 1.00 0.00 H new ATOM 0 HB3 PHE A 4 11.194 -5.950 -7.702 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.495 -3.455 -7.602 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.741 -6.096 -8.407 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.793 -1.581 -8.518 1.00 0.00 H new ATOM 0 HE2 PHE A 4 16.041 -4.223 -9.323 1.00 0.00 H new ATOM 0 HZ PHE A 4 15.067 -1.961 -9.381 1.00 0.00 H new ATOM 78 N ILE A 5 14.152 -4.773 -5.209 1.00 0.00 N ATOM 79 CA ILE A 5 15.509 -4.510 -4.748 1.00 0.00 C ATOM 80 C ILE A 5 15.726 -5.031 -3.331 1.00 0.00 C ATOM 81 O ILE A 5 16.862 -5.252 -2.910 1.00 0.00 O ATOM 82 CB ILE A 5 15.837 -3.003 -4.795 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.337 -2.778 -4.591 1.00 0.00 C ATOM 84 CG2 ILE A 5 15.031 -2.238 -3.752 1.00 0.00 C ATOM 85 CD1 ILE A 5 18.171 -3.131 -5.804 1.00 0.00 C ATOM 0 H ILE A 5 13.601 -3.938 -5.406 1.00 0.00 H new ATOM 0 HA ILE A 5 16.180 -5.039 -5.425 1.00 0.00 H new ATOM 0 HB ILE A 5 15.560 -2.623 -5.778 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.508 -1.733 -4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.674 -3.374 -3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.280 -1.178 -3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.967 -2.371 -3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.269 -2.617 -2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.223 -2.947 -5.588 1.00 0.00 H new ATOM 0 HD12 ILE A 5 18.030 -4.184 -6.049 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.861 -2.517 -6.650 1.00 0.00 H new ATOM 97 N GLU A 6 14.636 -5.245 -2.603 1.00 0.00 N ATOM 98 CA GLU A 6 14.726 -5.760 -1.243 1.00 0.00 C ATOM 99 C GLU A 6 14.973 -7.268 -1.251 1.00 0.00 C ATOM 100 O GLU A 6 15.543 -7.818 -0.308 1.00 0.00 O ATOM 101 CB GLU A 6 13.448 -5.442 -0.464 1.00 0.00 C ATOM 102 CG GLU A 6 13.053 -3.974 -0.506 1.00 0.00 C ATOM 103 CD GLU A 6 14.157 -3.052 -0.025 1.00 0.00 C ATOM 104 OE1 GLU A 6 14.534 -3.146 1.162 1.00 0.00 O ATOM 105 OE2 GLU A 6 14.640 -2.233 -0.835 1.00 0.00 O ATOM 0 H GLU A 6 13.685 -5.071 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 6 15.568 -5.273 -0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.630 -6.040 -0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.583 -5.743 0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.781 -3.705 -1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.167 -3.824 0.110 1.00 0.00 H new ATOM 112 N THR A 7 14.539 -7.931 -2.323 1.00 0.00 N ATOM 113 CA THR A 7 14.717 -9.375 -2.451 1.00 0.00 C ATOM 114 C THR A 7 15.581 -9.741 -3.661 1.00 0.00 C ATOM 115 O THR A 7 15.620 -10.901 -4.073 1.00 0.00 O ATOM 116 CB THR A 7 13.357 -10.068 -2.556 1.00 0.00 C ATOM 117 OG1 THR A 7 12.725 -9.756 -3.784 1.00 0.00 O ATOM 118 CG2 THR A 7 12.405 -9.694 -1.439 1.00 0.00 C ATOM 0 H THR A 7 14.064 -7.492 -3.112 1.00 0.00 H new ATOM 0 HA THR A 7 15.235 -9.719 -1.556 1.00 0.00 H new ATOM 0 HB THR A 7 13.573 -11.134 -2.485 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.767 -9.618 -3.633 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.460 -10.221 -1.575 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.842 -9.973 -0.480 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.227 -8.619 -1.457 1.00 0.00 H new ATOM 126 N CYS A 8 16.267 -8.760 -4.239 1.00 0.00 N ATOM 127 CA CYS A 8 17.109 -9.014 -5.402 1.00 0.00 C ATOM 128 C CYS A 8 18.507 -8.435 -5.207 1.00 0.00 C ATOM 129 O CYS A 8 18.703 -7.503 -4.426 1.00 0.00 O ATOM 130 CB CYS A 8 16.465 -8.431 -6.663 1.00 0.00 C ATOM 131 SG CYS A 8 14.789 -9.067 -7.000 1.00 0.00 S ATOM 0 H CYS A 8 16.257 -7.790 -3.924 1.00 0.00 H new ATOM 0 HA CYS A 8 17.203 -10.094 -5.520 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.419 -7.346 -6.567 1.00 0.00 H new ATOM 0 HB3 CYS A 8 17.104 -8.648 -7.519 1.00 0.00 H new ATOM 136 N ARG A 9 19.475 -8.995 -5.926 1.00 0.00 N ATOM 137 CA ARG A 9 20.857 -8.542 -5.834 1.00 0.00 C ATOM 138 C ARG A 9 21.452 -8.316 -7.219 1.00 0.00 C ATOM 139 O ARG A 9 20.834 -8.644 -8.231 1.00 0.00 O ATOM 140 CB ARG A 9 21.701 -9.565 -5.071 1.00 0.00 C ATOM 141 CG ARG A 9 21.502 -10.994 -5.551 1.00 0.00 C ATOM 142 CD ARG A 9 22.791 -11.796 -5.469 1.00 0.00 C ATOM 143 NE ARG A 9 22.578 -13.105 -4.859 1.00 0.00 N ATOM 144 CZ ARG A 9 22.469 -13.300 -3.547 1.00 0.00 C ATOM 145 NH1 ARG A 9 22.578 -12.277 -2.708 1.00 0.00 N ATOM 146 NH2 ARG A 9 22.249 -14.518 -3.074 1.00 0.00 N ATOM 0 H ARG A 9 19.327 -9.764 -6.579 1.00 0.00 H new ATOM 0 HA ARG A 9 20.864 -7.595 -5.295 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.754 -9.301 -5.169 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.455 -9.509 -4.011 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.733 -11.477 -4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 9 21.142 -10.986 -6.580 1.00 0.00 H new ATOM 0 HD2 ARG A 9 23.203 -11.924 -6.470 1.00 0.00 H new ATOM 0 HD3 ARG A 9 23.528 -11.241 -4.889 1.00 0.00 H new ATOM 0 HE ARG A 9 22.509 -13.916 -5.473 1.00 0.00 H new ATOM 0 HH11 ARG A 9 22.746 -11.338 -3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 9 22.494 -12.430 -1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 9 22.163 -15.306 -3.715 1.00 0.00 H new ATOM 0 HH22 ARG A 9 22.166 -14.667 -2.068 1.00 0.00 H new ATOM 160 N ASN A 10 22.660 -7.753 -7.254 1.00 0.00 N ATOM 161 CA ASN A 10 23.367 -7.478 -8.504 1.00 0.00 C ATOM 162 C ASN A 10 22.481 -6.780 -9.531 1.00 0.00 C ATOM 163 O ASN A 10 22.297 -7.272 -10.644 1.00 0.00 O ATOM 164 CB ASN A 10 23.956 -8.769 -9.090 1.00 0.00 C ATOM 165 CG ASN A 10 22.897 -9.756 -9.545 1.00 0.00 C ATOM 166 OD1 ASN A 10 22.320 -10.482 -8.735 1.00 0.00 O ATOM 167 ND2 ASN A 10 22.645 -9.796 -10.848 1.00 0.00 N ATOM 0 H ASN A 10 23.175 -7.475 -6.418 1.00 0.00 H new ATOM 0 HA ASN A 10 24.181 -6.794 -8.265 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.596 -8.518 -9.935 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.589 -9.245 -8.341 1.00 0.00 H new ATOM 0 HD21 ASN A 10 21.950 -10.447 -11.213 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.147 -9.176 -11.484 1.00 0.00 H new ATOM 174 N THR A 11 21.955 -5.615 -9.163 1.00 0.00 N ATOM 175 CA THR A 11 21.122 -4.845 -10.073 1.00 0.00 C ATOM 176 C THR A 11 22.007 -4.098 -11.065 1.00 0.00 C ATOM 177 O THR A 11 22.995 -3.472 -10.682 1.00 0.00 O ATOM 178 CB THR A 11 20.235 -3.864 -9.301 1.00 0.00 C ATOM 179 OG1 THR A 11 21.011 -2.817 -8.744 1.00 0.00 O ATOM 180 CG2 THR A 11 19.464 -4.514 -8.171 1.00 0.00 C ATOM 0 H THR A 11 22.091 -5.188 -8.247 1.00 0.00 H new ATOM 0 HA THR A 11 20.470 -5.528 -10.618 1.00 0.00 H new ATOM 0 HB THR A 11 19.523 -3.482 -10.033 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.562 -3.171 -8.015 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.856 -3.763 -7.666 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.817 -5.294 -8.573 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.163 -4.954 -7.459 1.00 0.00 H new ATOM 188 N GLN A 12 21.657 -4.177 -12.342 1.00 0.00 N ATOM 189 CA GLN A 12 22.434 -3.521 -13.388 1.00 0.00 C ATOM 190 C GLN A 12 21.595 -3.274 -14.632 1.00 0.00 C ATOM 191 O GLN A 12 20.525 -3.859 -14.801 1.00 0.00 O ATOM 192 CB GLN A 12 23.677 -4.340 -13.735 1.00 0.00 C ATOM 193 CG GLN A 12 23.386 -5.796 -14.052 1.00 0.00 C ATOM 194 CD GLN A 12 24.534 -6.467 -14.782 1.00 0.00 C ATOM 195 OE1 GLN A 12 24.424 -6.804 -15.960 1.00 0.00 O ATOM 196 NE2 GLN A 12 25.646 -6.664 -14.082 1.00 0.00 N ATOM 0 H GLN A 12 20.841 -4.688 -12.679 1.00 0.00 H new ATOM 0 HA GLN A 12 22.753 -2.553 -13.002 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.173 -3.884 -14.592 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.376 -4.293 -12.900 1.00 0.00 H new ATOM 0 HG2 GLN A 12 23.184 -6.334 -13.126 1.00 0.00 H new ATOM 0 HG3 GLN A 12 22.484 -5.860 -14.661 1.00 0.00 H new ATOM 0 HE21 GLN A 12 25.694 -6.369 -13.107 1.00 0.00 H new ATOM 0 HE22 GLN A 12 26.452 -7.111 -14.520 1.00 0.00 H new ATOM 205 N LEU A 13 22.091 -2.402 -15.500 1.00 0.00 N ATOM 206 CA LEU A 13 21.386 -2.073 -16.729 1.00 0.00 C ATOM 207 C LEU A 13 21.928 -2.875 -17.900 1.00 0.00 C ATOM 208 O LEU A 13 23.140 -3.008 -18.074 1.00 0.00 O ATOM 209 CB LEU A 13 21.524 -0.585 -17.044 1.00 0.00 C ATOM 210 CG LEU A 13 20.831 -0.140 -18.337 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.671 0.790 -18.027 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.819 0.530 -19.286 1.00 0.00 C ATOM 0 H LEU A 13 22.977 -1.912 -15.375 1.00 0.00 H new ATOM 0 HA LEU A 13 20.335 -2.321 -16.580 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.115 -0.011 -16.212 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.583 -0.338 -17.111 1.00 0.00 H new ATOM 0 HG LEU A 13 20.439 -1.028 -18.833 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.191 1.096 -18.957 1.00 0.00 H new ATOM 0 HD12 LEU A 13 18.947 0.272 -17.398 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.041 1.671 -17.503 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.300 0.836 -20.195 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.251 1.406 -18.802 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.613 -0.172 -19.540 1.00 0.00 H new ATOM 224 N ALA A 14 21.017 -3.393 -18.710 1.00 0.00 N ATOM 225 CA ALA A 14 21.372 -4.166 -19.883 1.00 0.00 C ATOM 226 C ALA A 14 20.841 -3.461 -21.121 1.00 0.00 C ATOM 227 O ALA A 14 19.770 -2.858 -21.082 1.00 0.00 O ATOM 228 CB ALA A 14 20.799 -5.572 -19.776 1.00 0.00 C ATOM 0 H ALA A 14 20.012 -3.287 -18.570 1.00 0.00 H new ATOM 0 HA ALA A 14 22.456 -4.248 -19.956 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.072 -6.144 -20.663 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.201 -6.062 -18.890 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.713 -5.517 -19.699 1.00 0.00 H new ATOM 234 N GLY A 15 21.591 -3.508 -22.214 1.00 0.00 N ATOM 235 CA GLY A 15 21.150 -2.838 -23.422 1.00 0.00 C ATOM 236 C GLY A 15 20.928 -1.354 -23.192 1.00 0.00 C ATOM 237 O GLY A 15 21.603 -0.748 -22.359 1.00 0.00 O ATOM 0 H GLY A 15 22.486 -3.992 -22.287 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.893 -2.977 -24.207 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.225 -3.294 -23.774 1.00 0.00 H new ATOM 241 N SER A 16 20.010 -0.756 -23.947 1.00 0.00 N ATOM 242 CA SER A 16 19.749 0.677 -23.825 1.00 0.00 C ATOM 243 C SER A 16 18.717 1.010 -22.750 1.00 0.00 C ATOM 244 O SER A 16 18.839 2.034 -22.076 1.00 0.00 O ATOM 245 CB SER A 16 19.257 1.232 -25.160 1.00 0.00 C ATOM 246 OG SER A 16 19.964 0.655 -26.245 1.00 0.00 O ATOM 0 H SER A 16 19.439 -1.235 -24.643 1.00 0.00 H new ATOM 0 HA SER A 16 20.693 1.137 -23.533 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.191 1.033 -25.269 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.382 2.315 -25.175 1.00 0.00 H new ATOM 0 HG SER A 16 19.629 1.026 -27.088 1.00 0.00 H new ATOM 252 N SER A 17 17.694 0.176 -22.588 1.00 0.00 N ATOM 253 CA SER A 17 16.666 0.457 -21.597 1.00 0.00 C ATOM 254 C SER A 17 16.197 -0.802 -20.866 1.00 0.00 C ATOM 255 O SER A 17 15.024 -0.918 -20.516 1.00 0.00 O ATOM 256 CB SER A 17 15.486 1.148 -22.279 1.00 0.00 C ATOM 257 OG SER A 17 15.230 0.580 -23.552 1.00 0.00 O ATOM 0 H SER A 17 17.557 -0.684 -23.120 1.00 0.00 H new ATOM 0 HA SER A 17 17.099 1.113 -20.842 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.598 1.061 -21.653 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.696 2.212 -22.387 1.00 0.00 H new ATOM 0 HG SER A 17 14.723 1.217 -24.098 1.00 0.00 H new ATOM 263 N GLU A 18 17.114 -1.737 -20.629 1.00 0.00 N ATOM 264 CA GLU A 18 16.780 -2.974 -19.920 1.00 0.00 C ATOM 265 C GLU A 18 17.507 -3.085 -18.587 1.00 0.00 C ATOM 266 O GLU A 18 18.631 -2.611 -18.433 1.00 0.00 O ATOM 267 CB GLU A 18 17.090 -4.211 -20.766 1.00 0.00 C ATOM 268 CG GLU A 18 16.011 -4.556 -21.773 1.00 0.00 C ATOM 269 CD GLU A 18 16.363 -4.139 -23.187 1.00 0.00 C ATOM 270 OE1 GLU A 18 17.544 -4.276 -23.568 1.00 0.00 O ATOM 271 OE2 GLU A 18 15.456 -3.683 -23.915 1.00 0.00 O ATOM 0 H GLU A 18 18.090 -1.664 -20.915 1.00 0.00 H new ATOM 0 HA GLU A 18 15.708 -2.931 -19.729 1.00 0.00 H new ATOM 0 HB2 GLU A 18 18.029 -4.050 -21.296 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.240 -5.063 -20.103 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.832 -5.631 -21.751 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.080 -4.072 -21.479 1.00 0.00 H new ATOM 278 N LEU A 19 16.850 -3.728 -17.630 1.00 0.00 N ATOM 279 CA LEU A 19 17.410 -3.937 -16.302 1.00 0.00 C ATOM 280 C LEU A 19 17.458 -5.433 -16.004 1.00 0.00 C ATOM 281 O LEU A 19 16.433 -6.113 -16.055 1.00 0.00 O ATOM 282 CB LEU A 19 16.561 -3.207 -15.251 1.00 0.00 C ATOM 283 CG LEU A 19 16.716 -3.701 -13.809 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.154 -3.540 -13.341 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.765 -2.951 -12.888 1.00 0.00 C ATOM 0 H LEU A 19 15.916 -4.118 -17.753 1.00 0.00 H new ATOM 0 HA LEU A 19 18.422 -3.533 -16.266 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.812 -2.147 -15.281 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.512 -3.294 -15.534 1.00 0.00 H new ATOM 0 HG LEU A 19 16.464 -4.761 -13.777 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.245 -3.896 -12.315 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.814 -4.120 -13.986 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.436 -2.488 -13.386 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.886 -3.313 -11.867 1.00 0.00 H new ATOM 0 HD22 LEU A 19 15.989 -1.885 -12.924 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.738 -3.117 -13.212 1.00 0.00 H new ATOM 297 N ALA A 20 18.638 -5.952 -15.682 1.00 0.00 N ATOM 298 CA ALA A 20 18.774 -7.365 -15.374 1.00 0.00 C ATOM 299 C ALA A 20 19.286 -7.539 -13.950 1.00 0.00 C ATOM 300 O ALA A 20 20.093 -6.744 -13.467 1.00 0.00 O ATOM 301 CB ALA A 20 19.695 -8.033 -16.385 1.00 0.00 C ATOM 0 H ALA A 20 19.505 -5.418 -15.629 1.00 0.00 H new ATOM 0 HA ALA A 20 17.799 -7.848 -15.441 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.791 -9.092 -16.146 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.277 -7.923 -17.386 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.678 -7.563 -16.349 1.00 0.00 H new ATOM 307 N ALA A 21 18.798 -8.569 -13.272 1.00 0.00 N ATOM 308 CA ALA A 21 19.185 -8.828 -11.891 1.00 0.00 C ATOM 309 C ALA A 21 18.876 -10.266 -11.496 1.00 0.00 C ATOM 310 O ALA A 21 18.200 -10.989 -12.230 1.00 0.00 O ATOM 311 CB ALA A 21 18.478 -7.857 -10.959 1.00 0.00 C ATOM 0 H ALA A 21 18.133 -9.240 -13.656 1.00 0.00 H new ATOM 0 HA ALA A 21 20.262 -8.681 -11.804 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.774 -8.059 -9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.753 -6.835 -11.221 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.399 -7.979 -11.057 1.00 0.00 H new ATOM 317 N GLU A 22 19.328 -10.665 -10.312 1.00 0.00 N ATOM 318 CA GLU A 22 19.045 -11.997 -9.800 1.00 0.00 C ATOM 319 C GLU A 22 18.100 -11.866 -8.610 1.00 0.00 C ATOM 320 O GLU A 22 18.310 -11.019 -7.740 1.00 0.00 O ATOM 321 CB GLU A 22 20.335 -12.705 -9.382 1.00 0.00 C ATOM 322 CG GLU A 22 21.350 -12.837 -10.506 1.00 0.00 C ATOM 323 CD GLU A 22 21.844 -14.260 -10.683 1.00 0.00 C ATOM 324 OE1 GLU A 22 21.000 -15.178 -10.742 1.00 0.00 O ATOM 325 OE2 GLU A 22 23.075 -14.455 -10.759 1.00 0.00 O ATOM 0 H GLU A 22 19.891 -10.084 -9.691 1.00 0.00 H new ATOM 0 HA GLU A 22 18.579 -12.597 -10.582 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.789 -12.157 -8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.089 -13.699 -9.008 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.901 -12.494 -11.438 1.00 0.00 H new ATOM 0 HG3 GLU A 22 22.199 -12.185 -10.302 1.00 0.00 H new ATOM 332 N CYS A 23 17.051 -12.679 -8.566 1.00 0.00 N ATOM 333 CA CYS A 23 16.095 -12.591 -7.470 1.00 0.00 C ATOM 334 C CYS A 23 15.796 -13.950 -6.855 1.00 0.00 C ATOM 335 O CYS A 23 15.579 -14.935 -7.561 1.00 0.00 O ATOM 336 CB CYS A 23 14.802 -11.942 -7.961 1.00 0.00 C ATOM 337 SG CYS A 23 15.029 -10.260 -8.623 1.00 0.00 S ATOM 0 H CYS A 23 16.843 -13.394 -9.263 1.00 0.00 H new ATOM 0 HA CYS A 23 16.545 -11.976 -6.691 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.362 -12.571 -8.735 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.089 -11.905 -7.137 1.00 0.00 H new ATOM 342 N LYS A 24 15.805 -13.991 -5.530 1.00 0.00 N ATOM 343 CA LYS A 24 15.544 -15.225 -4.798 1.00 0.00 C ATOM 344 C LYS A 24 14.102 -15.692 -4.974 1.00 0.00 C ATOM 345 O LYS A 24 13.163 -14.897 -4.928 1.00 0.00 O ATOM 346 CB LYS A 24 15.858 -15.037 -3.311 1.00 0.00 C ATOM 347 CG LYS A 24 14.948 -14.036 -2.615 1.00 0.00 C ATOM 348 CD LYS A 24 14.744 -14.389 -1.151 1.00 0.00 C ATOM 349 CE LYS A 24 15.679 -13.597 -0.252 1.00 0.00 C ATOM 350 NZ LYS A 24 15.704 -14.135 1.136 1.00 0.00 N ATOM 0 H LYS A 24 15.991 -13.182 -4.937 1.00 0.00 H new ATOM 0 HA LYS A 24 16.196 -15.996 -5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.777 -16.000 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.892 -14.709 -3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.378 -13.037 -2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.983 -14.008 -3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.710 -14.190 -0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.915 -15.456 -1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.686 -13.618 -0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.365 -12.553 -0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.353 -13.567 1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.748 -14.091 1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.028 -15.123 1.120 1.00 0.00 H new ATOM 364 N THR A 25 13.942 -16.996 -5.173 1.00 0.00 N ATOM 365 CA THR A 25 12.625 -17.592 -5.353 1.00 0.00 C ATOM 366 C THR A 25 11.998 -17.925 -4.004 1.00 0.00 C ATOM 367 O THR A 25 12.591 -17.663 -2.957 1.00 0.00 O ATOM 368 CB THR A 25 12.729 -18.853 -6.212 1.00 0.00 C ATOM 369 OG1 THR A 25 13.701 -19.741 -5.688 1.00 0.00 O ATOM 370 CG2 THR A 25 13.101 -18.561 -7.649 1.00 0.00 C ATOM 0 H THR A 25 14.713 -17.663 -5.214 1.00 0.00 H new ATOM 0 HA THR A 25 11.986 -16.870 -5.862 1.00 0.00 H new ATOM 0 HB THR A 25 11.736 -19.302 -6.191 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.750 -20.541 -6.251 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.159 -19.496 -8.207 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.344 -17.917 -8.097 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.068 -18.059 -7.680 1.00 0.00 H new ATOM 378 N ARG A 26 10.797 -18.497 -4.026 1.00 0.00 N ATOM 379 CA ARG A 26 10.104 -18.855 -2.794 1.00 0.00 C ATOM 380 C ARG A 26 10.902 -19.878 -1.988 1.00 0.00 C ATOM 381 O ARG A 26 10.796 -19.934 -0.762 1.00 0.00 O ATOM 382 CB ARG A 26 8.714 -19.412 -3.113 1.00 0.00 C ATOM 383 CG ARG A 26 7.823 -18.434 -3.863 1.00 0.00 C ATOM 384 CD ARG A 26 6.357 -18.828 -3.766 1.00 0.00 C ATOM 385 NE ARG A 26 5.490 -17.671 -3.553 1.00 0.00 N ATOM 386 CZ ARG A 26 5.303 -16.710 -4.456 1.00 0.00 C ATOM 387 NH1 ARG A 26 5.913 -16.769 -5.633 1.00 0.00 N ATOM 388 NH2 ARG A 26 4.503 -15.688 -4.183 1.00 0.00 N ATOM 0 H ARG A 26 10.286 -18.721 -4.880 1.00 0.00 H new ATOM 0 HA ARG A 26 10.001 -17.952 -2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.823 -20.320 -3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.224 -19.697 -2.182 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.959 -17.432 -3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.122 -18.397 -4.910 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.059 -19.341 -4.680 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.225 -19.535 -2.947 1.00 0.00 H new ATOM 0 HE ARG A 26 5.000 -17.595 -2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.529 -17.553 -5.850 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.766 -16.030 -6.321 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.030 -15.637 -3.281 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.361 -14.953 -4.875 1.00 0.00 H new ATOM 402 N ALA A 27 11.682 -20.702 -2.686 1.00 0.00 N ATOM 403 CA ALA A 27 12.476 -21.739 -2.034 1.00 0.00 C ATOM 404 C ALA A 27 13.804 -21.208 -1.491 1.00 0.00 C ATOM 405 O ALA A 27 14.673 -21.989 -1.104 1.00 0.00 O ATOM 406 CB ALA A 27 12.726 -22.887 -3.003 1.00 0.00 C ATOM 0 H ALA A 27 11.780 -20.671 -3.701 1.00 0.00 H new ATOM 0 HA ALA A 27 11.902 -22.096 -1.179 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.319 -23.657 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.773 -23.310 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.265 -22.516 -3.875 1.00 0.00 H new ATOM 412 N GLN A 28 13.972 -19.887 -1.480 1.00 0.00 N ATOM 413 CA GLN A 28 15.211 -19.273 -1.003 1.00 0.00 C ATOM 414 C GLN A 28 16.385 -19.606 -1.920 1.00 0.00 C ATOM 415 O GLN A 28 17.520 -19.761 -1.470 1.00 0.00 O ATOM 416 CB GLN A 28 15.523 -19.732 0.423 1.00 0.00 C ATOM 417 CG GLN A 28 14.312 -19.730 1.339 1.00 0.00 C ATOM 418 CD GLN A 28 14.646 -20.197 2.743 1.00 0.00 C ATOM 419 OE1 GLN A 28 14.161 -21.234 3.195 1.00 0.00 O ATOM 420 NE2 GLN A 28 15.481 -19.433 3.440 1.00 0.00 N ATOM 0 H GLN A 28 13.267 -19.221 -1.796 1.00 0.00 H new ATOM 0 HA GLN A 28 15.066 -18.193 -1.009 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.941 -20.738 0.389 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.289 -19.082 0.846 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.896 -18.724 1.384 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.541 -20.376 0.918 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.859 -18.581 3.026 1.00 0.00 H new ATOM 0 HE22 GLN A 28 15.743 -19.699 4.389 1.00 0.00 H new ATOM 429 N GLN A 29 16.099 -19.669 -3.213 1.00 0.00 N ATOM 430 CA GLN A 29 17.117 -19.932 -4.224 1.00 0.00 C ATOM 431 C GLN A 29 17.230 -18.712 -5.134 1.00 0.00 C ATOM 432 O GLN A 29 16.218 -18.119 -5.497 1.00 0.00 O ATOM 433 CB GLN A 29 16.760 -21.179 -5.037 1.00 0.00 C ATOM 434 CG GLN A 29 16.835 -22.469 -4.233 1.00 0.00 C ATOM 435 CD GLN A 29 17.543 -23.584 -4.979 1.00 0.00 C ATOM 436 OE1 GLN A 29 17.062 -24.061 -6.007 1.00 0.00 O ATOM 437 NE2 GLN A 29 18.691 -24.007 -4.461 1.00 0.00 N ATOM 0 H GLN A 29 15.160 -19.540 -3.591 1.00 0.00 H new ATOM 0 HA GLN A 29 18.075 -20.117 -3.738 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.752 -21.067 -5.436 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.434 -21.252 -5.890 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.356 -22.278 -3.295 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.826 -22.792 -3.977 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.052 -23.582 -3.607 1.00 0.00 H new ATOM 0 HE22 GLN A 29 19.211 -24.756 -4.918 1.00 0.00 H new ATOM 446 N PHE A 30 18.449 -18.314 -5.484 1.00 0.00 N ATOM 447 CA PHE A 30 18.641 -17.135 -6.330 1.00 0.00 C ATOM 448 C PHE A 30 18.747 -17.506 -7.806 1.00 0.00 C ATOM 449 O PHE A 30 19.577 -18.328 -8.194 1.00 0.00 O ATOM 450 CB PHE A 30 19.894 -16.372 -5.900 1.00 0.00 C ATOM 451 CG PHE A 30 19.695 -15.556 -4.655 1.00 0.00 C ATOM 452 CD1 PHE A 30 19.784 -16.144 -3.403 1.00 0.00 C ATOM 453 CD2 PHE A 30 19.415 -14.201 -4.736 1.00 0.00 C ATOM 454 CE1 PHE A 30 19.596 -15.396 -2.256 1.00 0.00 C ATOM 455 CE2 PHE A 30 19.225 -13.449 -3.593 1.00 0.00 C ATOM 456 CZ PHE A 30 19.317 -14.046 -2.351 1.00 0.00 C ATOM 0 H PHE A 30 19.310 -18.782 -5.201 1.00 0.00 H new ATOM 0 HA PHE A 30 17.764 -16.499 -6.205 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.704 -17.082 -5.735 1.00 0.00 H new ATOM 0 HB3 PHE A 30 20.207 -15.714 -6.711 1.00 0.00 H new ATOM 0 HD1 PHE A 30 20.003 -17.199 -3.323 1.00 0.00 H new ATOM 0 HD2 PHE A 30 19.345 -13.728 -5.704 1.00 0.00 H new ATOM 0 HE1 PHE A 30 19.667 -15.866 -1.286 1.00 0.00 H new ATOM 0 HE2 PHE A 30 19.005 -12.395 -3.671 1.00 0.00 H new ATOM 0 HZ PHE A 30 19.171 -13.459 -1.456 1.00 0.00 H new ATOM 466 N VAL A 31 17.899 -16.890 -8.626 1.00 0.00 N ATOM 467 CA VAL A 31 17.892 -17.146 -10.059 1.00 0.00 C ATOM 468 C VAL A 31 17.905 -15.834 -10.842 1.00 0.00 C ATOM 469 O VAL A 31 17.427 -14.808 -10.360 1.00 0.00 O ATOM 470 CB VAL A 31 16.657 -17.969 -10.470 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.770 -19.397 -9.957 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.387 -17.310 -9.958 1.00 0.00 C ATOM 0 H VAL A 31 17.206 -16.208 -8.318 1.00 0.00 H new ATOM 0 HA VAL A 31 18.791 -17.716 -10.293 1.00 0.00 H new ATOM 0 HB VAL A 31 16.610 -18.003 -11.558 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.888 -19.962 -10.258 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.661 -19.865 -10.376 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.842 -19.388 -8.869 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.523 -17.904 -10.257 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.424 -17.245 -8.871 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.302 -16.308 -10.379 1.00 0.00 H new ATOM 482 N SER A 32 18.483 -15.867 -12.037 1.00 0.00 N ATOM 483 CA SER A 32 18.583 -14.673 -12.872 1.00 0.00 C ATOM 484 C SER A 32 17.231 -14.276 -13.467 1.00 0.00 C ATOM 485 O SER A 32 16.482 -15.118 -13.965 1.00 0.00 O ATOM 486 CB SER A 32 19.597 -14.898 -13.994 1.00 0.00 C ATOM 487 OG SER A 32 20.899 -14.506 -13.593 1.00 0.00 O ATOM 0 H SER A 32 18.890 -16.706 -12.450 1.00 0.00 H new ATOM 0 HA SER A 32 18.918 -13.856 -12.233 1.00 0.00 H new ATOM 0 HB2 SER A 32 19.602 -15.950 -14.278 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.299 -14.331 -14.876 1.00 0.00 H new ATOM 0 HG SER A 32 21.528 -14.662 -14.328 1.00 0.00 H new ATOM 493 N THR A 33 16.943 -12.975 -13.420 1.00 0.00 N ATOM 494 CA THR A 33 15.698 -12.430 -13.954 1.00 0.00 C ATOM 495 C THR A 33 15.949 -11.062 -14.586 1.00 0.00 C ATOM 496 O THR A 33 16.967 -10.425 -14.316 1.00 0.00 O ATOM 497 CB THR A 33 14.641 -12.314 -12.856 1.00 0.00 C ATOM 498 OG1 THR A 33 13.541 -11.540 -13.302 1.00 0.00 O ATOM 499 CG2 THR A 33 15.162 -11.680 -11.584 1.00 0.00 C ATOM 0 H THR A 33 17.563 -12.275 -13.013 1.00 0.00 H new ATOM 0 HA THR A 33 15.327 -13.112 -14.719 1.00 0.00 H new ATOM 0 HB THR A 33 14.342 -13.338 -12.634 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.139 -11.966 -14.088 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.360 -11.629 -10.848 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.981 -12.280 -11.187 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.521 -10.674 -11.800 1.00 0.00 H new ATOM 507 N LYS A 34 15.029 -10.614 -15.434 1.00 0.00 N ATOM 508 CA LYS A 34 15.191 -9.332 -16.100 1.00 0.00 C ATOM 509 C LYS A 34 13.872 -8.577 -16.230 1.00 0.00 C ATOM 510 O LYS A 34 12.791 -9.164 -16.215 1.00 0.00 O ATOM 511 CB LYS A 34 15.799 -9.540 -17.487 1.00 0.00 C ATOM 512 CG LYS A 34 16.297 -8.258 -18.133 1.00 0.00 C ATOM 513 CD LYS A 34 16.914 -8.527 -19.495 1.00 0.00 C ATOM 514 CE LYS A 34 15.852 -8.611 -20.578 1.00 0.00 C ATOM 515 NZ LYS A 34 16.429 -9.029 -21.886 1.00 0.00 N ATOM 0 H LYS A 34 14.173 -11.115 -15.673 1.00 0.00 H new ATOM 0 HA LYS A 34 15.858 -8.729 -15.484 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.628 -10.243 -17.409 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.053 -9.998 -18.136 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.469 -7.557 -18.239 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.035 -7.785 -17.485 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.622 -7.735 -19.738 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.478 -9.459 -19.463 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.081 -9.321 -20.277 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.367 -7.641 -20.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.674 -9.075 -22.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.147 -8.339 -22.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.870 -9.966 -21.788 1.00 0.00 H new ATOM 529 N ILE A 35 13.993 -7.262 -16.377 1.00 0.00 N ATOM 530 CA ILE A 35 12.846 -6.375 -16.530 1.00 0.00 C ATOM 531 C ILE A 35 13.160 -5.334 -17.600 1.00 0.00 C ATOM 532 O ILE A 35 14.184 -4.654 -17.522 1.00 0.00 O ATOM 533 CB ILE A 35 12.512 -5.675 -15.195 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.230 -4.849 -15.315 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.672 -4.802 -14.741 1.00 0.00 C ATOM 536 CD1 ILE A 35 9.997 -5.583 -14.835 1.00 0.00 C ATOM 0 H ILE A 35 14.892 -6.780 -16.393 1.00 0.00 H new ATOM 0 HA ILE A 35 11.979 -6.964 -16.830 1.00 0.00 H new ATOM 0 HB ILE A 35 12.348 -6.446 -14.442 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.343 -3.930 -14.741 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.089 -4.559 -16.356 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.416 -4.318 -13.799 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.560 -5.419 -14.602 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.873 -4.042 -15.496 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.124 -4.940 -14.948 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.860 -6.489 -15.426 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.118 -5.850 -13.785 1.00 0.00 H new ATOM 548 N ASN A 36 12.300 -5.217 -18.610 1.00 0.00 N ATOM 549 CA ASN A 36 12.529 -4.269 -19.696 1.00 0.00 C ATOM 550 C ASN A 36 11.948 -2.900 -19.358 1.00 0.00 C ATOM 551 O ASN A 36 10.744 -2.764 -19.149 1.00 0.00 O ATOM 552 CB ASN A 36 11.892 -4.793 -20.982 1.00 0.00 C ATOM 553 CG ASN A 36 12.491 -4.162 -22.224 1.00 0.00 C ATOM 554 OD1 ASN A 36 13.107 -3.098 -22.157 1.00 0.00 O ATOM 555 ND2 ASN A 36 12.310 -4.814 -23.367 1.00 0.00 N ATOM 0 H ASN A 36 11.443 -5.764 -18.698 1.00 0.00 H new ATOM 0 HA ASN A 36 13.605 -4.162 -19.836 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.017 -5.875 -21.031 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.820 -4.597 -20.959 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.688 -4.436 -24.235 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.793 -5.693 -23.376 1.00 0.00 H new ATOM 562 N LEU A 37 12.805 -1.889 -19.305 1.00 0.00 N ATOM 563 CA LEU A 37 12.364 -0.536 -18.989 1.00 0.00 C ATOM 564 C LEU A 37 11.939 0.233 -20.240 1.00 0.00 C ATOM 565 O LEU A 37 11.334 1.298 -20.140 1.00 0.00 O ATOM 566 CB LEU A 37 13.469 0.218 -18.249 1.00 0.00 C ATOM 567 CG LEU A 37 13.994 -0.491 -16.999 1.00 0.00 C ATOM 568 CD1 LEU A 37 15.095 -1.476 -17.363 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.491 0.521 -15.976 1.00 0.00 C ATOM 0 H LEU A 37 13.807 -1.979 -19.476 1.00 0.00 H new ATOM 0 HA LEU A 37 11.489 -0.616 -18.344 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.301 0.383 -18.934 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.092 1.200 -17.963 1.00 0.00 H new ATOM 0 HG LEU A 37 13.172 -1.050 -16.552 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.455 -1.970 -16.460 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.702 -2.223 -18.053 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.919 -0.942 -17.837 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.860 -0.004 -15.095 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.297 1.112 -16.411 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.672 1.181 -15.689 1.00 0.00 H new ATOM 581 N ASP A 38 12.293 -0.276 -21.417 1.00 0.00 N ATOM 582 CA ASP A 38 11.966 0.408 -22.662 1.00 0.00 C ATOM 583 C ASP A 38 10.455 0.620 -22.828 1.00 0.00 C ATOM 584 O ASP A 38 10.018 1.699 -23.226 1.00 0.00 O ATOM 585 CB ASP A 38 12.539 -0.360 -23.863 1.00 0.00 C ATOM 586 CG ASP A 38 11.676 -1.528 -24.304 1.00 0.00 C ATOM 587 OD1 ASP A 38 11.095 -2.204 -23.431 1.00 0.00 O ATOM 588 OD2 ASP A 38 11.587 -1.768 -25.527 1.00 0.00 O ATOM 0 H ASP A 38 12.802 -1.152 -21.534 1.00 0.00 H new ATOM 0 HA ASP A 38 12.426 1.395 -22.620 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.660 0.328 -24.700 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.532 -0.729 -23.608 1.00 0.00 H new ATOM 593 N ASP A 39 9.654 -0.397 -22.520 1.00 0.00 N ATOM 594 CA ASP A 39 8.199 -0.275 -22.641 1.00 0.00 C ATOM 595 C ASP A 39 7.559 0.183 -21.336 1.00 0.00 C ATOM 596 O ASP A 39 6.382 0.539 -21.311 1.00 0.00 O ATOM 597 CB ASP A 39 7.559 -1.588 -23.090 1.00 0.00 C ATOM 598 CG ASP A 39 8.117 -2.793 -22.360 1.00 0.00 C ATOM 599 OD1 ASP A 39 7.849 -2.929 -21.147 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.818 -3.602 -23.001 1.00 0.00 O ATOM 0 H ASP A 39 9.980 -1.305 -22.189 1.00 0.00 H new ATOM 0 HA ASP A 39 8.017 0.483 -23.403 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.482 -1.537 -22.927 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.713 -1.714 -24.162 1.00 0.00 H new ATOM 605 N HIS A 40 8.330 0.186 -20.253 1.00 0.00 N ATOM 606 CA HIS A 40 7.817 0.619 -18.958 1.00 0.00 C ATOM 607 C HIS A 40 8.216 2.068 -18.724 1.00 0.00 C ATOM 608 O HIS A 40 7.364 2.945 -18.576 1.00 0.00 O ATOM 609 CB HIS A 40 8.368 -0.271 -17.837 1.00 0.00 C ATOM 610 CG HIS A 40 7.590 -1.538 -17.650 1.00 0.00 C ATOM 611 ND1 HIS A 40 6.265 -1.556 -17.268 1.00 0.00 N ATOM 612 CD2 HIS A 40 7.951 -2.835 -17.809 1.00 0.00 C ATOM 613 CE1 HIS A 40 5.845 -2.807 -17.201 1.00 0.00 C ATOM 614 NE2 HIS A 40 6.847 -3.602 -17.525 1.00 0.00 N ATOM 0 H HIS A 40 9.308 -0.105 -20.246 1.00 0.00 H new ATOM 0 HA HIS A 40 6.730 0.535 -18.955 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.406 -0.519 -18.057 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.365 0.290 -16.903 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.698 -0.732 -17.068 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.925 -3.198 -18.104 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.850 -3.125 -16.927 1.00 0.00 H new ATOM 623 N ILE A 41 9.523 2.310 -18.718 1.00 0.00 N ATOM 624 CA ILE A 41 10.052 3.649 -18.537 1.00 0.00 C ATOM 625 C ILE A 41 10.015 4.422 -19.851 1.00 0.00 C ATOM 626 O ILE A 41 10.179 3.850 -20.927 1.00 0.00 O ATOM 627 CB ILE A 41 11.498 3.624 -18.000 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.573 2.806 -16.710 1.00 0.00 C ATOM 629 CG2 ILE A 41 12.007 5.040 -17.766 1.00 0.00 C ATOM 630 CD1 ILE A 41 10.821 3.433 -15.554 1.00 0.00 C ATOM 0 H ILE A 41 10.235 1.589 -18.837 1.00 0.00 H new ATOM 0 HA ILE A 41 9.420 4.147 -17.802 1.00 0.00 H new ATOM 0 HB ILE A 41 12.135 3.151 -18.747 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.172 1.810 -16.897 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.619 2.681 -16.428 1.00 0.00 H new ATOM 0 HG21 ILE A 41 13.028 5.002 -17.387 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.989 5.593 -18.705 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.369 5.540 -17.038 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.917 2.800 -14.672 1.00 0.00 H new ATOM 0 HD12 ILE A 41 11.237 4.418 -15.341 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.768 3.533 -15.817 1.00 0.00 H new ATOM 642 N ALA A 42 9.787 5.721 -19.745 1.00 0.00 N ATOM 643 CA ALA A 42 9.717 6.590 -20.920 1.00 0.00 C ATOM 644 C ALA A 42 10.421 7.918 -20.669 1.00 0.00 C ATOM 645 O ALA A 42 10.809 8.226 -19.543 1.00 0.00 O ATOM 646 CB ALA A 42 8.265 6.846 -21.294 1.00 0.00 C ATOM 0 H ALA A 42 9.646 6.203 -18.857 1.00 0.00 H new ATOM 0 HA ALA A 42 10.223 6.083 -21.741 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.224 7.494 -22.170 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.775 5.899 -21.520 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.754 7.329 -20.461 1.00 0.00 H new ATOM 652 N ASN A 43 10.587 8.695 -21.735 1.00 0.00 N ATOM 653 CA ASN A 43 11.246 9.994 -21.648 1.00 0.00 C ATOM 654 C ASN A 43 10.253 11.117 -21.926 1.00 0.00 C ATOM 655 O ASN A 43 9.806 11.296 -23.058 1.00 0.00 O ATOM 656 CB ASN A 43 12.407 10.059 -22.640 1.00 0.00 C ATOM 657 CG ASN A 43 13.112 11.398 -22.627 1.00 0.00 C ATOM 658 OD1 ASN A 43 13.822 11.730 -21.678 1.00 0.00 O ATOM 659 ND2 ASN A 43 12.915 12.173 -23.687 1.00 0.00 N ATOM 0 H ASN A 43 10.273 8.446 -22.673 1.00 0.00 H new ATOM 0 HA ASN A 43 11.635 10.120 -20.638 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.125 9.273 -22.405 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.033 9.860 -23.644 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.362 13.089 -23.739 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.317 11.853 -24.449 1.00 0.00 H new ATOM 666 N ILE A 44 9.915 11.872 -20.888 1.00 0.00 N ATOM 667 CA ILE A 44 8.979 12.980 -21.023 1.00 0.00 C ATOM 668 C ILE A 44 9.692 14.324 -20.868 1.00 0.00 C ATOM 669 O ILE A 44 9.806 14.856 -19.764 1.00 0.00 O ATOM 670 CB ILE A 44 7.838 12.871 -19.990 1.00 0.00 C ATOM 671 CG1 ILE A 44 7.184 11.489 -20.070 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.805 13.965 -20.216 1.00 0.00 C ATOM 673 CD1 ILE A 44 6.560 11.191 -21.417 1.00 0.00 C ATOM 0 H ILE A 44 10.275 11.737 -19.943 1.00 0.00 H new ATOM 0 HA ILE A 44 8.551 12.925 -22.024 1.00 0.00 H new ATOM 0 HB ILE A 44 8.258 13.001 -18.993 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.933 10.728 -19.850 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.417 11.414 -19.299 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.008 13.871 -19.478 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.280 14.941 -20.115 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.385 13.868 -21.217 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.116 10.196 -21.400 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.787 11.929 -21.631 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.327 11.233 -22.191 1.00 0.00 H new ATOM 685 N ASP A 45 10.177 14.865 -21.987 1.00 0.00 N ATOM 686 CA ASP A 45 10.888 16.144 -21.985 1.00 0.00 C ATOM 687 C ASP A 45 12.235 16.022 -21.280 1.00 0.00 C ATOM 688 O ASP A 45 12.654 16.930 -20.560 1.00 0.00 O ATOM 689 CB ASP A 45 10.045 17.230 -21.311 1.00 0.00 C ATOM 690 CG ASP A 45 10.489 18.627 -21.699 1.00 0.00 C ATOM 691 OD1 ASP A 45 11.596 18.766 -22.263 1.00 0.00 O ATOM 692 OD2 ASP A 45 9.729 19.583 -21.439 1.00 0.00 O ATOM 0 H ASP A 45 10.090 14.436 -22.908 1.00 0.00 H new ATOM 0 HA ASP A 45 11.065 16.426 -23.023 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.998 17.095 -21.583 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.110 17.118 -20.229 1.00 0.00 H new ATOM 697 N GLY A 46 12.917 14.901 -21.504 1.00 0.00 N ATOM 698 CA GLY A 46 14.217 14.691 -20.890 1.00 0.00 C ATOM 699 C GLY A 46 14.120 14.182 -19.462 1.00 0.00 C ATOM 700 O GLY A 46 15.132 14.055 -18.773 1.00 0.00 O ATOM 0 H GLY A 46 12.594 14.137 -22.098 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.784 13.977 -21.487 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.774 15.628 -20.900 1.00 0.00 H new ATOM 704 N THR A 47 12.902 13.892 -19.014 1.00 0.00 N ATOM 705 CA THR A 47 12.685 13.398 -17.659 1.00 0.00 C ATOM 706 C THR A 47 12.141 11.974 -17.682 1.00 0.00 C ATOM 707 O THR A 47 11.273 11.644 -18.490 1.00 0.00 O ATOM 708 CB THR A 47 11.713 14.317 -16.916 1.00 0.00 C ATOM 709 OG1 THR A 47 12.043 15.677 -17.136 1.00 0.00 O ATOM 710 CG2 THR A 47 11.692 14.086 -15.421 1.00 0.00 C ATOM 0 H THR A 47 12.052 13.990 -19.569 1.00 0.00 H new ATOM 0 HA THR A 47 13.643 13.392 -17.138 1.00 0.00 H new ATOM 0 HB THR A 47 10.728 14.079 -17.317 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.410 16.249 -16.655 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.982 14.771 -14.957 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.392 13.058 -15.216 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.687 14.262 -15.012 1.00 0.00 H new ATOM 718 N LEU A 48 12.681 11.128 -16.810 1.00 0.00 N ATOM 719 CA LEU A 48 12.271 9.731 -16.760 1.00 0.00 C ATOM 720 C LEU A 48 10.933 9.571 -16.048 1.00 0.00 C ATOM 721 O LEU A 48 10.799 9.844 -14.855 1.00 0.00 O ATOM 722 CB LEU A 48 13.332 8.884 -16.052 1.00 0.00 C ATOM 723 CG LEU A 48 14.552 8.519 -16.902 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.702 8.061 -16.016 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.197 7.438 -17.913 1.00 0.00 C ATOM 0 H LEU A 48 13.399 11.384 -16.133 1.00 0.00 H new ATOM 0 HA LEU A 48 12.160 9.386 -17.788 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.674 9.423 -15.168 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.865 7.963 -15.703 1.00 0.00 H new ATOM 0 HG LEU A 48 14.868 9.409 -17.447 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.561 7.806 -16.637 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.976 8.864 -15.331 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.395 7.185 -15.444 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.077 7.193 -18.507 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.854 6.547 -17.387 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.405 7.799 -18.569 1.00 0.00 H new ATOM 737 N LYS A 49 9.953 9.105 -16.813 1.00 0.00 N ATOM 738 CA LYS A 49 8.606 8.868 -16.318 1.00 0.00 C ATOM 739 C LYS A 49 8.105 7.532 -16.850 1.00 0.00 C ATOM 740 O LYS A 49 8.661 7.000 -17.810 1.00 0.00 O ATOM 741 CB LYS A 49 7.659 9.995 -16.742 1.00 0.00 C ATOM 742 CG LYS A 49 8.205 11.389 -16.471 1.00 0.00 C ATOM 743 CD LYS A 49 8.045 11.781 -15.009 1.00 0.00 C ATOM 744 CE LYS A 49 7.760 13.268 -14.857 1.00 0.00 C ATOM 745 NZ LYS A 49 7.627 13.664 -13.428 1.00 0.00 N ATOM 0 H LYS A 49 10.073 8.880 -17.801 1.00 0.00 H new ATOM 0 HA LYS A 49 8.630 8.844 -15.229 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.448 9.898 -17.807 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.711 9.878 -16.217 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.259 11.427 -16.745 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.686 12.112 -17.101 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.232 11.207 -14.564 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.952 11.526 -14.462 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.564 13.841 -15.319 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.843 13.518 -15.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.433 14.684 -13.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.844 13.136 -12.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.511 13.449 -12.924 1.00 0.00 H new ATOM 759 N TRP A 50 7.064 6.986 -16.238 1.00 0.00 N ATOM 760 CA TRP A 50 6.530 5.702 -16.683 1.00 0.00 C ATOM 761 C TRP A 50 5.517 5.883 -17.814 1.00 0.00 C ATOM 762 O TRP A 50 4.528 6.602 -17.670 1.00 0.00 O ATOM 763 CB TRP A 50 5.898 4.948 -15.511 1.00 0.00 C ATOM 764 CG TRP A 50 6.921 4.283 -14.643 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.600 3.129 -14.916 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.398 4.738 -13.374 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.475 2.845 -13.898 1.00 0.00 N ATOM 768 CE2 TRP A 50 8.368 3.816 -12.938 1.00 0.00 C ATOM 769 CE3 TRP A 50 7.105 5.839 -12.566 1.00 0.00 C ATOM 770 CZ2 TRP A 50 9.042 3.962 -11.731 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.775 5.981 -11.367 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.734 5.048 -10.961 1.00 0.00 C ATOM 0 H TRP A 50 6.577 7.402 -15.444 1.00 0.00 H new ATOM 0 HA TRP A 50 7.360 5.111 -17.070 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.311 5.642 -14.910 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.208 4.197 -15.895 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.467 2.528 -15.804 1.00 0.00 H new ATOM 0 HE1 TRP A 50 9.103 2.042 -13.862 1.00 0.00 H new ATOM 0 HE3 TRP A 50 6.368 6.566 -12.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.782 3.243 -11.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.555 6.827 -10.732 1.00 0.00 H new ATOM 0 HH2 TRP A 50 9.242 5.189 -10.019 1.00 0.00 H new ATOM 783 N GLN A 51 5.781 5.224 -18.939 1.00 0.00 N ATOM 784 CA GLN A 51 4.911 5.297 -20.116 1.00 0.00 C ATOM 785 C GLN A 51 5.373 4.285 -21.164 1.00 0.00 C ATOM 786 O GLN A 51 6.551 3.932 -21.211 1.00 0.00 O ATOM 787 CB GLN A 51 4.934 6.706 -20.723 1.00 0.00 C ATOM 788 CG GLN A 51 3.934 7.669 -20.102 1.00 0.00 C ATOM 789 CD GLN A 51 3.069 8.362 -21.138 1.00 0.00 C ATOM 790 OE1 GLN A 51 2.220 7.737 -21.774 1.00 0.00 O ATOM 791 NE2 GLN A 51 3.280 9.663 -21.313 1.00 0.00 N ATOM 0 H GLN A 51 6.598 4.627 -19.063 1.00 0.00 H new ATOM 0 HA GLN A 51 3.892 5.066 -19.805 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.936 7.120 -20.614 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.735 6.632 -21.792 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.295 7.125 -19.406 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.471 8.420 -19.522 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.994 10.142 -20.764 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.728 10.182 -21.996 1.00 0.00 H new ATOM 800 N PRO A 52 4.456 3.794 -22.020 1.00 0.00 N ATOM 801 CA PRO A 52 4.803 2.813 -23.052 1.00 0.00 C ATOM 802 C PRO A 52 5.599 3.431 -24.195 1.00 0.00 C ATOM 803 O PRO A 52 5.163 3.445 -25.346 1.00 0.00 O ATOM 804 CB PRO A 52 3.447 2.312 -23.536 1.00 0.00 C ATOM 805 CG PRO A 52 2.518 3.454 -23.291 1.00 0.00 C ATOM 806 CD PRO A 52 3.022 4.144 -22.049 1.00 0.00 C ATOM 0 HA PRO A 52 5.444 2.021 -22.666 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.477 2.044 -24.592 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.135 1.422 -22.990 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.508 4.138 -24.140 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.496 3.102 -23.154 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.873 5.223 -22.100 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.505 3.793 -21.156 1.00 0.00 H new ATOM 814 N SER A 53 6.783 3.919 -23.854 1.00 0.00 N ATOM 815 CA SER A 53 7.695 4.529 -24.812 1.00 0.00 C ATOM 816 C SER A 53 9.111 4.426 -24.264 1.00 0.00 C ATOM 817 O SER A 53 9.333 4.656 -23.079 1.00 0.00 O ATOM 818 CB SER A 53 7.319 5.992 -25.062 1.00 0.00 C ATOM 819 OG SER A 53 6.973 6.645 -23.853 1.00 0.00 O ATOM 0 H SER A 53 7.141 3.903 -22.899 1.00 0.00 H new ATOM 0 HA SER A 53 7.629 4.005 -25.766 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.155 6.510 -25.532 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.481 6.041 -25.758 1.00 0.00 H new ATOM 0 HG SER A 53 6.739 7.578 -24.041 1.00 0.00 H new ATOM 825 N ASN A 54 10.059 4.036 -25.106 1.00 0.00 N ATOM 826 CA ASN A 54 11.441 3.865 -24.660 1.00 0.00 C ATOM 827 C ASN A 54 12.195 5.185 -24.601 1.00 0.00 C ATOM 828 O ASN A 54 12.536 5.771 -25.629 1.00 0.00 O ATOM 829 CB ASN A 54 12.198 2.885 -25.567 1.00 0.00 C ATOM 830 CG ASN A 54 11.290 1.881 -26.256 1.00 0.00 C ATOM 831 OD1 ASN A 54 10.273 1.464 -25.704 1.00 0.00 O ATOM 832 ND2 ASN A 54 11.659 1.483 -27.470 1.00 0.00 N ATOM 0 H ASN A 54 9.902 3.833 -26.093 1.00 0.00 H new ATOM 0 HA ASN A 54 11.390 3.457 -23.650 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.745 3.449 -26.323 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.937 2.348 -24.973 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.091 0.807 -27.980 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.510 1.854 -27.892 1.00 0.00 H new ATOM 839 N PHE A 55 12.478 5.627 -23.381 1.00 0.00 N ATOM 840 CA PHE A 55 13.221 6.859 -23.154 1.00 0.00 C ATOM 841 C PHE A 55 14.466 6.911 -24.041 1.00 0.00 C ATOM 842 O PHE A 55 14.910 7.983 -24.450 1.00 0.00 O ATOM 843 CB PHE A 55 13.617 6.960 -21.677 1.00 0.00 C ATOM 844 CG PHE A 55 14.442 5.801 -21.195 1.00 0.00 C ATOM 845 CD1 PHE A 55 15.796 5.737 -21.476 1.00 0.00 C ATOM 846 CD2 PHE A 55 13.863 4.776 -20.466 1.00 0.00 C ATOM 847 CE1 PHE A 55 16.558 4.671 -21.039 1.00 0.00 C ATOM 848 CE2 PHE A 55 14.619 3.708 -20.026 1.00 0.00 C ATOM 849 CZ PHE A 55 15.968 3.655 -20.313 1.00 0.00 C ATOM 0 H PHE A 55 12.200 5.144 -22.527 1.00 0.00 H new ATOM 0 HA PHE A 55 12.584 7.705 -23.412 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.176 7.883 -21.522 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.714 7.029 -21.071 1.00 0.00 H new ATOM 0 HD1 PHE A 55 16.262 6.529 -22.043 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.808 4.812 -20.239 1.00 0.00 H new ATOM 0 HE1 PHE A 55 17.613 4.632 -21.265 1.00 0.00 H new ATOM 0 HE2 PHE A 55 14.155 2.915 -19.458 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.561 2.820 -19.970 1.00 0.00 H new ATOM 859 N SER A 56 15.017 5.732 -24.338 1.00 0.00 N ATOM 860 CA SER A 56 16.220 5.606 -25.163 1.00 0.00 C ATOM 861 C SER A 56 16.140 6.423 -26.460 1.00 0.00 C ATOM 862 O SER A 56 17.163 6.683 -27.093 1.00 0.00 O ATOM 863 CB SER A 56 16.472 4.138 -25.504 1.00 0.00 C ATOM 864 OG SER A 56 15.389 3.588 -26.232 1.00 0.00 O ATOM 0 H SER A 56 14.643 4.840 -24.014 1.00 0.00 H new ATOM 0 HA SER A 56 17.046 6.005 -24.575 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.388 4.050 -26.088 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.623 3.569 -24.586 1.00 0.00 H new ATOM 0 HG SER A 56 15.577 2.649 -26.439 1.00 0.00 H new ATOM 870 N GLN A 57 14.933 6.817 -26.863 1.00 0.00 N ATOM 871 CA GLN A 57 14.766 7.583 -28.095 1.00 0.00 C ATOM 872 C GLN A 57 15.514 8.911 -28.017 1.00 0.00 C ATOM 873 O GLN A 57 15.947 9.448 -29.036 1.00 0.00 O ATOM 874 CB GLN A 57 13.281 7.840 -28.368 1.00 0.00 C ATOM 875 CG GLN A 57 12.473 6.572 -28.599 1.00 0.00 C ATOM 876 CD GLN A 57 11.492 6.706 -29.748 1.00 0.00 C ATOM 877 OE1 GLN A 57 11.757 6.253 -30.861 1.00 0.00 O ATOM 878 NE2 GLN A 57 10.352 7.332 -29.483 1.00 0.00 N ATOM 0 H GLN A 57 14.067 6.621 -26.361 1.00 0.00 H new ATOM 0 HA GLN A 57 15.183 6.996 -28.914 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.854 8.383 -27.525 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.188 8.484 -29.242 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.153 5.744 -28.801 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.928 6.322 -27.689 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.174 7.692 -28.545 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.654 7.453 -30.217 1.00 0.00 H new ATOM 887 N THR A 58 15.675 9.433 -26.805 1.00 0.00 N ATOM 888 CA THR A 58 16.383 10.694 -26.611 1.00 0.00 C ATOM 889 C THR A 58 17.442 10.587 -25.516 1.00 0.00 C ATOM 890 O THR A 58 18.100 11.572 -25.188 1.00 0.00 O ATOM 891 CB THR A 58 15.403 11.807 -26.238 1.00 0.00 C ATOM 892 OG1 THR A 58 15.068 11.730 -24.864 1.00 0.00 O ATOM 893 CG2 THR A 58 14.109 11.771 -27.020 1.00 0.00 C ATOM 0 H THR A 58 15.327 9.005 -25.947 1.00 0.00 H new ATOM 0 HA THR A 58 16.876 10.929 -27.554 1.00 0.00 H new ATOM 0 HB THR A 58 15.922 12.735 -26.479 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.242 12.594 -24.436 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.467 12.591 -26.699 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.324 11.874 -28.084 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.603 10.822 -26.842 1.00 0.00 H new ATOM 901 N CYS A 59 17.591 9.404 -24.931 1.00 0.00 N ATOM 902 CA CYS A 59 18.557 9.217 -23.858 1.00 0.00 C ATOM 903 C CYS A 59 19.720 8.327 -24.275 1.00 0.00 C ATOM 904 O CYS A 59 19.574 7.439 -25.115 1.00 0.00 O ATOM 905 CB CYS A 59 17.870 8.616 -22.629 1.00 0.00 C ATOM 906 SG CYS A 59 16.240 9.338 -22.258 1.00 0.00 S ATOM 0 H CYS A 59 17.061 8.569 -25.179 1.00 0.00 H new ATOM 0 HA CYS A 59 18.961 10.200 -23.617 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.754 7.543 -22.780 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.519 8.748 -21.763 1.00 0.00 H new ATOM 911 N TYR A 60 20.881 8.595 -23.685 1.00 0.00 N ATOM 912 CA TYR A 60 22.099 7.840 -23.968 1.00 0.00 C ATOM 913 C TYR A 60 22.896 7.641 -22.680 1.00 0.00 C ATOM 914 O TYR A 60 22.739 8.400 -21.721 1.00 0.00 O ATOM 915 CB TYR A 60 22.959 8.569 -25.010 1.00 0.00 C ATOM 916 CG TYR A 60 23.457 9.925 -24.551 1.00 0.00 C ATOM 917 CD1 TYR A 60 22.580 10.991 -24.400 1.00 0.00 C ATOM 918 CD2 TYR A 60 24.802 10.138 -24.267 1.00 0.00 C ATOM 919 CE1 TYR A 60 23.026 12.228 -23.979 1.00 0.00 C ATOM 920 CE2 TYR A 60 25.254 11.374 -23.845 1.00 0.00 C ATOM 921 CZ TYR A 60 24.362 12.415 -23.704 1.00 0.00 C ATOM 922 OH TYR A 60 24.809 13.647 -23.282 1.00 0.00 O ATOM 0 H TYR A 60 21.005 9.340 -22.999 1.00 0.00 H new ATOM 0 HA TYR A 60 21.819 6.867 -24.372 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.816 7.944 -25.262 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.377 8.696 -25.923 1.00 0.00 H new ATOM 0 HD1 TYR A 60 21.531 10.850 -24.616 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.504 9.325 -24.378 1.00 0.00 H new ATOM 0 HE1 TYR A 60 22.330 13.046 -23.866 1.00 0.00 H new ATOM 0 HE2 TYR A 60 26.301 11.523 -23.627 1.00 0.00 H new ATOM 0 HH TYR A 60 24.273 14.351 -23.703 1.00 0.00 H new ATOM 932 N ASN A 61 23.736 6.610 -22.656 1.00 0.00 N ATOM 933 CA ASN A 61 24.547 6.307 -21.479 1.00 0.00 C ATOM 934 C ASN A 61 23.671 5.931 -20.285 1.00 0.00 C ATOM 935 O ASN A 61 23.866 6.429 -19.177 1.00 0.00 O ATOM 936 CB ASN A 61 25.433 7.505 -21.122 1.00 0.00 C ATOM 937 CG ASN A 61 26.433 7.832 -22.217 1.00 0.00 C ATOM 938 OD1 ASN A 61 26.619 7.059 -23.156 1.00 0.00 O ATOM 939 ND2 ASN A 61 27.084 8.984 -22.098 1.00 0.00 N ATOM 0 H ASN A 61 23.873 5.970 -23.438 1.00 0.00 H new ATOM 0 HA ASN A 61 25.180 5.452 -21.719 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.804 8.376 -20.936 1.00 0.00 H new ATOM 0 HB3 ASN A 61 25.968 7.295 -20.196 1.00 0.00 H new ATOM 0 HD21 ASN A 61 27.769 9.258 -22.802 1.00 0.00 H new ATOM 0 HD22 ASN A 61 26.898 9.595 -21.303 1.00 0.00 H new ATOM 946 N SER A 62 22.705 5.048 -20.519 1.00 0.00 N ATOM 947 CA SER A 62 21.813 4.602 -19.457 1.00 0.00 C ATOM 948 C SER A 62 22.566 3.728 -18.461 1.00 0.00 C ATOM 949 O SER A 62 23.330 2.843 -18.847 1.00 0.00 O ATOM 950 CB SER A 62 20.620 3.841 -20.039 1.00 0.00 C ATOM 951 OG SER A 62 19.796 4.695 -20.811 1.00 0.00 O ATOM 0 H SER A 62 22.521 4.629 -21.431 1.00 0.00 H new ATOM 0 HA SER A 62 21.438 5.481 -18.933 1.00 0.00 H new ATOM 0 HB2 SER A 62 20.977 3.018 -20.658 1.00 0.00 H new ATOM 0 HB3 SER A 62 20.036 3.401 -19.230 1.00 0.00 H new ATOM 0 HG SER A 62 19.493 4.220 -21.613 1.00 0.00 H new ATOM 957 N ALA A 63 22.344 3.986 -17.179 1.00 0.00 N ATOM 958 CA ALA A 63 23.005 3.227 -16.124 1.00 0.00 C ATOM 959 C ALA A 63 22.071 2.968 -14.951 1.00 0.00 C ATOM 960 O ALA A 63 21.146 3.739 -14.697 1.00 0.00 O ATOM 961 CB ALA A 63 24.248 3.963 -15.652 1.00 0.00 C ATOM 0 H ALA A 63 21.712 4.714 -16.844 1.00 0.00 H new ATOM 0 HA ALA A 63 23.293 2.261 -16.538 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.734 3.388 -14.864 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.936 4.088 -16.488 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.966 4.942 -15.265 1.00 0.00 H new ATOM 967 N ILE A 64 22.314 1.874 -14.238 1.00 0.00 N ATOM 968 CA ILE A 64 21.484 1.521 -13.097 1.00 0.00 C ATOM 969 C ILE A 64 22.315 1.236 -11.852 1.00 0.00 C ATOM 970 O ILE A 64 23.347 0.568 -11.909 1.00 0.00 O ATOM 971 CB ILE A 64 20.583 0.313 -13.419 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.492 0.759 -14.389 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.964 -0.266 -12.151 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.526 -0.333 -14.763 1.00 0.00 C ATOM 0 H ILE A 64 23.074 1.221 -14.430 1.00 0.00 H new ATOM 0 HA ILE A 64 20.853 2.385 -12.888 1.00 0.00 H new ATOM 0 HB ILE A 64 21.187 -0.472 -13.875 1.00 0.00 H new ATOM 0 HG12 ILE A 64 18.937 1.584 -13.942 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.960 1.143 -15.295 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.334 -1.117 -12.410 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.755 -0.593 -11.476 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.360 0.497 -11.660 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.781 0.061 -15.454 1.00 0.00 H new ATOM 0 HD12 ILE A 64 19.067 -1.150 -15.240 1.00 0.00 H new ATOM 0 HD13 ILE A 64 18.029 -0.702 -13.866 1.00 0.00 H new ATOM 986 N GLN A 65 21.828 1.740 -10.725 1.00 0.00 N ATOM 987 CA GLN A 65 22.478 1.549 -9.436 1.00 0.00 C ATOM 988 C GLN A 65 21.432 1.148 -8.406 1.00 0.00 C ATOM 989 O GLN A 65 20.619 1.970 -7.984 1.00 0.00 O ATOM 990 CB GLN A 65 23.186 2.834 -8.997 1.00 0.00 C ATOM 991 CG GLN A 65 24.072 3.438 -10.074 1.00 0.00 C ATOM 992 CD GLN A 65 25.458 2.822 -10.104 1.00 0.00 C ATOM 993 OE1 GLN A 65 26.291 3.098 -9.239 1.00 0.00 O ATOM 994 NE2 GLN A 65 25.710 1.980 -11.100 1.00 0.00 N ATOM 0 H GLN A 65 20.972 2.292 -10.680 1.00 0.00 H new ATOM 0 HA GLN A 65 23.226 0.761 -9.523 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.437 3.568 -8.700 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.792 2.622 -8.116 1.00 0.00 H new ATOM 0 HG2 GLN A 65 23.598 3.304 -11.046 1.00 0.00 H new ATOM 0 HG3 GLN A 65 24.159 4.512 -9.907 1.00 0.00 H new ATOM 0 HE21 GLN A 65 24.990 1.781 -11.794 1.00 0.00 H new ATOM 0 HE22 GLN A 65 26.624 1.532 -11.171 1.00 0.00 H new ATOM 1003 N GLY A 66 21.439 -0.122 -8.020 1.00 0.00 N ATOM 1004 CA GLY A 66 20.464 -0.605 -7.062 1.00 0.00 C ATOM 1005 C GLY A 66 19.070 -0.640 -7.655 1.00 0.00 C ATOM 1006 O GLY A 66 18.838 -1.314 -8.659 1.00 0.00 O ATOM 0 H GLY A 66 22.100 -0.824 -8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.744 -1.605 -6.730 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.469 0.037 -6.181 1.00 0.00 H new ATOM 1010 N SER A 67 18.135 0.069 -7.035 1.00 0.00 N ATOM 1011 CA SER A 67 16.759 0.092 -7.516 1.00 0.00 C ATOM 1012 C SER A 67 16.459 1.345 -8.339 1.00 0.00 C ATOM 1013 O SER A 67 15.365 1.482 -8.888 1.00 0.00 O ATOM 1014 CB SER A 67 15.790 0.009 -6.335 1.00 0.00 C ATOM 1015 OG SER A 67 15.653 1.271 -5.703 1.00 0.00 O ATOM 0 H SER A 67 18.303 0.633 -6.202 1.00 0.00 H new ATOM 0 HA SER A 67 16.627 -0.773 -8.166 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.816 -0.336 -6.682 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.150 -0.726 -5.615 1.00 0.00 H new ATOM 0 HG SER A 67 14.752 1.621 -5.863 1.00 0.00 H new ATOM 1021 N VAL A 68 17.423 2.259 -8.428 1.00 0.00 N ATOM 1022 CA VAL A 68 17.231 3.494 -9.189 1.00 0.00 C ATOM 1023 C VAL A 68 17.916 3.443 -10.555 1.00 0.00 C ATOM 1024 O VAL A 68 19.024 2.924 -10.692 1.00 0.00 O ATOM 1025 CB VAL A 68 17.756 4.722 -8.422 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.193 6.001 -9.022 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.410 4.622 -6.943 1.00 0.00 C ATOM 0 H VAL A 68 18.338 2.170 -7.987 1.00 0.00 H new ATOM 0 HA VAL A 68 16.155 3.588 -9.335 1.00 0.00 H new ATOM 0 HB VAL A 68 18.842 4.748 -8.513 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.573 6.860 -8.469 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.497 6.078 -10.066 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.105 5.983 -8.961 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.790 5.500 -6.420 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.328 4.570 -6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.864 3.725 -6.523 1.00 0.00 H new ATOM 1037 N LEU A 69 17.243 3.990 -11.564 1.00 0.00 N ATOM 1038 CA LEU A 69 17.776 4.023 -12.921 1.00 0.00 C ATOM 1039 C LEU A 69 18.315 5.419 -13.240 1.00 0.00 C ATOM 1040 O LEU A 69 17.606 6.417 -13.090 1.00 0.00 O ATOM 1041 CB LEU A 69 16.679 3.626 -13.920 1.00 0.00 C ATOM 1042 CG LEU A 69 16.912 4.055 -15.373 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.242 3.522 -15.882 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.768 3.580 -16.260 1.00 0.00 C ATOM 0 H LEU A 69 16.323 4.418 -11.465 1.00 0.00 H new ATOM 0 HA LEU A 69 18.597 3.311 -13.002 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.566 2.542 -13.895 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.735 4.053 -13.582 1.00 0.00 H new ATOM 0 HG LEU A 69 16.945 5.144 -15.409 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.389 3.837 -16.915 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.051 3.913 -15.265 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.241 2.433 -15.832 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.950 3.894 -17.288 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.703 2.493 -16.218 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.831 4.013 -15.909 1.00 0.00 H new ATOM 1056 N THR A 70 19.572 5.490 -13.673 1.00 0.00 N ATOM 1057 CA THR A 70 20.193 6.766 -14.006 1.00 0.00 C ATOM 1058 C THR A 70 20.537 6.813 -15.490 1.00 0.00 C ATOM 1059 O THR A 70 21.216 5.927 -16.004 1.00 0.00 O ATOM 1060 CB THR A 70 21.461 6.967 -13.172 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.266 6.515 -11.843 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.912 8.409 -13.105 1.00 0.00 C ATOM 0 H THR A 70 20.178 4.679 -13.801 1.00 0.00 H new ATOM 0 HA THR A 70 19.488 7.567 -13.781 1.00 0.00 H new ATOM 0 HB THR A 70 22.232 6.386 -13.677 1.00 0.00 H new ATOM 0 HG1 THR A 70 22.088 6.651 -11.327 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.815 8.480 -12.499 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.121 8.772 -14.111 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.125 9.016 -12.656 1.00 0.00 H new ATOM 1070 N SER A 71 20.055 7.836 -16.183 1.00 0.00 N ATOM 1071 CA SER A 71 20.311 7.965 -17.615 1.00 0.00 C ATOM 1072 C SER A 71 20.296 9.428 -18.053 1.00 0.00 C ATOM 1073 O SER A 71 19.624 10.259 -17.441 1.00 0.00 O ATOM 1074 CB SER A 71 19.282 7.157 -18.409 1.00 0.00 C ATOM 1075 OG SER A 71 19.204 7.604 -19.753 1.00 0.00 O ATOM 0 H SER A 71 19.489 8.584 -15.783 1.00 0.00 H new ATOM 0 HA SER A 71 21.306 7.569 -17.818 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.552 6.101 -18.389 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.304 7.245 -17.936 1.00 0.00 H new ATOM 0 HG SER A 71 19.362 6.850 -20.358 1.00 0.00 H new ATOM 1081 N THR A 72 21.016 9.735 -19.133 1.00 0.00 N ATOM 1082 CA THR A 72 21.051 11.092 -19.662 1.00 0.00 C ATOM 1083 C THR A 72 20.012 11.224 -20.774 1.00 0.00 C ATOM 1084 O THR A 72 19.991 10.421 -21.704 1.00 0.00 O ATOM 1085 CB THR A 72 22.445 11.423 -20.199 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.442 11.107 -19.243 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.611 12.879 -20.571 1.00 0.00 C ATOM 0 H THR A 72 21.579 9.063 -19.654 1.00 0.00 H new ATOM 0 HA THR A 72 20.820 11.795 -18.862 1.00 0.00 H new ATOM 0 HB THR A 72 22.558 10.818 -21.099 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.325 11.325 -19.607 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.621 13.046 -20.944 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.890 13.141 -21.345 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.442 13.501 -19.692 1.00 0.00 H new ATOM 1095 N CYS A 73 19.132 12.215 -20.667 1.00 0.00 N ATOM 1096 CA CYS A 73 18.084 12.390 -21.667 1.00 0.00 C ATOM 1097 C CYS A 73 18.060 13.793 -22.264 1.00 0.00 C ATOM 1098 O CYS A 73 18.287 14.789 -21.576 1.00 0.00 O ATOM 1099 CB CYS A 73 16.721 12.073 -21.057 1.00 0.00 C ATOM 1100 SG CYS A 73 16.534 10.343 -20.521 1.00 0.00 S ATOM 0 H CYS A 73 19.122 12.899 -19.911 1.00 0.00 H new ATOM 0 HA CYS A 73 18.307 11.697 -22.478 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.556 12.728 -20.201 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.945 12.302 -21.788 1.00 0.00 H new ATOM 1105 N GLU A 74 17.724 13.849 -23.551 1.00 0.00 N ATOM 1106 CA GLU A 74 17.615 15.110 -24.279 1.00 0.00 C ATOM 1107 C GLU A 74 16.341 15.859 -23.883 1.00 0.00 C ATOM 1108 O GLU A 74 15.273 15.258 -23.767 1.00 0.00 O ATOM 1109 CB GLU A 74 17.618 14.846 -25.787 1.00 0.00 C ATOM 1110 CG GLU A 74 18.255 15.959 -26.604 1.00 0.00 C ATOM 1111 CD GLU A 74 18.145 15.723 -28.099 1.00 0.00 C ATOM 1112 OE1 GLU A 74 18.636 14.677 -28.572 1.00 0.00 O ATOM 1113 OE2 GLU A 74 17.568 16.584 -28.794 1.00 0.00 O ATOM 0 H GLU A 74 17.520 13.025 -24.116 1.00 0.00 H new ATOM 0 HA GLU A 74 18.473 15.730 -24.021 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.150 13.915 -25.982 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.591 14.703 -26.123 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.778 16.907 -26.354 1.00 0.00 H new ATOM 0 HG3 GLU A 74 19.306 16.049 -26.331 1.00 0.00 H new ATOM 1120 N ARG A 75 16.455 17.168 -23.677 1.00 0.00 N ATOM 1121 CA ARG A 75 15.305 17.986 -23.295 1.00 0.00 C ATOM 1122 C ARG A 75 14.634 18.599 -24.522 1.00 0.00 C ATOM 1123 O ARG A 75 15.303 18.953 -25.493 1.00 0.00 O ATOM 1124 CB ARG A 75 15.737 19.090 -22.331 1.00 0.00 C ATOM 1125 CG ARG A 75 16.705 18.613 -21.260 1.00 0.00 C ATOM 1126 CD ARG A 75 17.069 19.730 -20.295 1.00 0.00 C ATOM 1127 NE ARG A 75 16.784 19.365 -18.909 1.00 0.00 N ATOM 1128 CZ ARG A 75 16.804 20.227 -17.897 1.00 0.00 C ATOM 1129 NH1 ARG A 75 17.114 21.500 -18.106 1.00 0.00 N ATOM 1130 NH2 ARG A 75 16.516 19.813 -16.670 1.00 0.00 N ATOM 0 H ARG A 75 17.329 17.685 -23.768 1.00 0.00 H new ATOM 0 HA ARG A 75 14.583 17.339 -22.797 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.203 19.896 -22.898 1.00 0.00 H new ATOM 0 HB3 ARG A 75 14.853 19.509 -21.850 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.259 17.786 -20.708 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.610 18.230 -21.732 1.00 0.00 H new ATOM 0 HD2 ARG A 75 18.128 19.968 -20.398 1.00 0.00 H new ATOM 0 HD3 ARG A 75 16.513 20.631 -20.555 1.00 0.00 H new ATOM 0 HE ARG A 75 16.556 18.392 -18.706 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.339 21.822 -19.047 1.00 0.00 H new ATOM 0 HH12 ARG A 75 17.128 22.156 -17.325 1.00 0.00 H new ATOM 0 HH21 ARG A 75 16.280 18.835 -16.504 1.00 0.00 H new ATOM 0 HH22 ARG A 75 16.531 20.473 -15.892 1.00 0.00 H new ATOM 1144 N THR A 76 13.306 18.712 -24.478 1.00 0.00 N ATOM 1145 CA THR A 76 12.542 19.272 -25.591 1.00 0.00 C ATOM 1146 C THR A 76 13.090 20.631 -26.023 1.00 0.00 C ATOM 1147 O THR A 76 12.970 21.012 -27.187 1.00 0.00 O ATOM 1148 CB THR A 76 11.070 19.413 -25.197 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.568 18.191 -24.686 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.179 19.833 -26.345 1.00 0.00 C ATOM 0 H THR A 76 12.737 18.422 -23.682 1.00 0.00 H new ATOM 0 HA THR A 76 12.634 18.587 -26.434 1.00 0.00 H new ATOM 0 HB THR A 76 11.049 20.196 -24.439 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.626 18.302 -24.438 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.150 19.914 -25.996 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.509 20.799 -26.727 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.235 19.089 -27.140 1.00 0.00 H new ATOM 1158 N ASN A 77 13.686 21.359 -25.086 1.00 0.00 N ATOM 1159 CA ASN A 77 14.244 22.675 -25.385 1.00 0.00 C ATOM 1160 C ASN A 77 15.641 22.565 -25.996 1.00 0.00 C ATOM 1161 O ASN A 77 16.280 23.577 -26.288 1.00 0.00 O ATOM 1162 CB ASN A 77 14.296 23.529 -24.118 1.00 0.00 C ATOM 1163 CG ASN A 77 14.316 25.016 -24.418 1.00 0.00 C ATOM 1164 OD1 ASN A 77 13.284 25.685 -24.371 1.00 0.00 O ATOM 1165 ND2 ASN A 77 15.496 25.543 -24.729 1.00 0.00 N ATOM 0 H ASN A 77 13.796 21.063 -24.116 1.00 0.00 H new ATOM 0 HA ASN A 77 13.592 23.153 -26.116 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.432 23.300 -23.494 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.184 23.266 -23.543 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.570 26.538 -24.940 1.00 0.00 H new ATOM 0 HD22 ASN A 77 16.327 24.952 -24.756 1.00 0.00 H new ATOM 1172 N GLY A 78 16.111 21.336 -26.192 1.00 0.00 N ATOM 1173 CA GLY A 78 17.424 21.126 -26.771 1.00 0.00 C ATOM 1174 C GLY A 78 18.510 21.004 -25.726 1.00 0.00 C ATOM 1175 O GLY A 78 18.538 21.749 -24.748 1.00 0.00 O ATOM 0 H GLY A 78 15.604 20.482 -25.959 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.408 20.222 -27.379 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.659 21.955 -27.438 1.00 0.00 H new ATOM 1179 N GLY A 79 19.381 20.035 -25.931 1.00 0.00 N ATOM 1180 CA GLY A 79 20.462 19.777 -24.997 1.00 0.00 C ATOM 1181 C GLY A 79 20.314 18.414 -24.354 1.00 0.00 C ATOM 1182 O GLY A 79 19.469 17.628 -24.777 1.00 0.00 O ATOM 0 H GLY A 79 19.362 19.411 -26.738 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.418 19.835 -25.518 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.472 20.547 -24.226 1.00 0.00 H new ATOM 1186 N TYR A 80 21.131 18.124 -23.342 1.00 0.00 N ATOM 1187 CA TYR A 80 21.064 16.832 -22.657 1.00 0.00 C ATOM 1188 C TYR A 80 20.984 17.017 -21.143 1.00 0.00 C ATOM 1189 O TYR A 80 21.606 17.922 -20.585 1.00 0.00 O ATOM 1190 CB TYR A 80 22.285 15.975 -23.002 1.00 0.00 C ATOM 1191 CG TYR A 80 22.490 15.769 -24.486 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.622 14.974 -25.225 1.00 0.00 C ATOM 1193 CD2 TYR A 80 23.554 16.368 -25.147 1.00 0.00 C ATOM 1194 CE1 TYR A 80 21.807 14.786 -26.582 1.00 0.00 C ATOM 1195 CE2 TYR A 80 23.747 16.185 -26.503 1.00 0.00 C ATOM 1196 CZ TYR A 80 22.871 15.394 -27.216 1.00 0.00 C ATOM 1197 OH TYR A 80 23.059 15.212 -28.569 1.00 0.00 O ATOM 0 H TYR A 80 21.842 18.760 -22.980 1.00 0.00 H new ATOM 0 HA TYR A 80 20.161 16.325 -22.997 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.176 16.444 -22.584 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.181 15.002 -22.521 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.789 14.495 -24.731 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.243 16.988 -24.592 1.00 0.00 H new ATOM 0 HE1 TYR A 80 21.123 14.167 -27.143 1.00 0.00 H new ATOM 0 HE2 TYR A 80 24.579 16.659 -27.002 1.00 0.00 H new ATOM 0 HH TYR A 80 23.852 15.709 -28.859 1.00 0.00 H new ATOM 1207 N ASN A 81 20.210 16.156 -20.486 1.00 0.00 N ATOM 1208 CA ASN A 81 20.043 16.217 -19.039 1.00 0.00 C ATOM 1209 C ASN A 81 19.687 14.836 -18.491 1.00 0.00 C ATOM 1210 O ASN A 81 18.792 14.166 -19.004 1.00 0.00 O ATOM 1211 CB ASN A 81 18.955 17.229 -18.668 1.00 0.00 C ATOM 1212 CG ASN A 81 18.919 17.523 -17.179 1.00 0.00 C ATOM 1213 OD1 ASN A 81 19.659 18.374 -16.685 1.00 0.00 O ATOM 1214 ND2 ASN A 81 18.055 16.819 -16.455 1.00 0.00 N ATOM 0 H ASN A 81 19.687 15.405 -20.937 1.00 0.00 H new ATOM 0 HA ASN A 81 20.984 16.541 -18.594 1.00 0.00 H new ATOM 0 HB2 ASN A 81 19.125 18.157 -19.214 1.00 0.00 H new ATOM 0 HB3 ASN A 81 17.984 16.846 -18.983 1.00 0.00 H new ATOM 0 HD21 ASN A 81 17.987 16.974 -15.449 1.00 0.00 H new ATOM 0 HD22 ASN A 81 17.460 16.123 -16.905 1.00 0.00 H new ATOM 1221 N THR A 82 20.409 14.413 -17.460 1.00 0.00 N ATOM 1222 CA THR A 82 20.192 13.106 -16.843 1.00 0.00 C ATOM 1223 C THR A 82 19.223 13.192 -15.672 1.00 0.00 C ATOM 1224 O THR A 82 19.325 14.086 -14.832 1.00 0.00 O ATOM 1225 CB THR A 82 21.519 12.499 -16.386 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.300 11.352 -15.582 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.371 13.459 -15.591 1.00 0.00 C ATOM 0 H THR A 82 21.155 14.959 -17.030 1.00 0.00 H new ATOM 0 HA THR A 82 19.748 12.458 -17.599 1.00 0.00 H new ATOM 0 HB THR A 82 22.048 12.241 -17.304 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.625 10.780 -16.004 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.298 12.966 -15.298 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.602 14.332 -16.202 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.829 13.773 -14.699 1.00 0.00 H new ATOM 1235 N SER A 83 18.281 12.253 -15.624 1.00 0.00 N ATOM 1236 CA SER A 83 17.287 12.205 -14.561 1.00 0.00 C ATOM 1237 C SER A 83 17.353 10.858 -13.836 1.00 0.00 C ATOM 1238 O SER A 83 17.847 9.869 -14.387 1.00 0.00 O ATOM 1239 CB SER A 83 15.889 12.422 -15.147 1.00 0.00 C ATOM 1240 OG SER A 83 15.652 11.543 -16.232 1.00 0.00 O ATOM 0 H SER A 83 18.187 11.510 -16.317 1.00 0.00 H new ATOM 0 HA SER A 83 17.497 12.997 -13.843 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.138 12.262 -14.374 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.787 13.454 -15.482 1.00 0.00 H new ATOM 0 HG SER A 83 15.470 12.064 -17.042 1.00 0.00 H new ATOM 1246 N SER A 84 16.861 10.821 -12.602 1.00 0.00 N ATOM 1247 CA SER A 84 16.875 9.592 -11.817 1.00 0.00 C ATOM 1248 C SER A 84 15.470 9.220 -11.355 1.00 0.00 C ATOM 1249 O SER A 84 14.651 10.090 -11.062 1.00 0.00 O ATOM 1250 CB SER A 84 17.801 9.738 -10.608 1.00 0.00 C ATOM 1251 OG SER A 84 17.599 10.981 -9.958 1.00 0.00 O ATOM 0 H SER A 84 16.450 11.624 -12.126 1.00 0.00 H new ATOM 0 HA SER A 84 17.250 8.793 -12.456 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.620 8.924 -9.907 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.839 9.657 -10.929 1.00 0.00 H new ATOM 0 HG SER A 84 18.201 11.049 -9.188 1.00 0.00 H new ATOM 1257 N ILE A 85 15.199 7.918 -11.298 1.00 0.00 N ATOM 1258 CA ILE A 85 13.889 7.431 -10.881 1.00 0.00 C ATOM 1259 C ILE A 85 13.992 6.107 -10.117 1.00 0.00 C ATOM 1260 O ILE A 85 14.812 5.251 -10.449 1.00 0.00 O ATOM 1261 CB ILE A 85 12.972 7.254 -12.106 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.536 6.974 -11.667 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.488 6.142 -13.007 1.00 0.00 C ATOM 1264 CD1 ILE A 85 10.566 6.875 -12.824 1.00 0.00 C ATOM 0 H ILE A 85 15.867 7.185 -11.535 1.00 0.00 H new ATOM 0 HA ILE A 85 13.462 8.175 -10.209 1.00 0.00 H new ATOM 0 HB ILE A 85 12.979 8.183 -12.676 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.511 6.043 -11.100 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.208 7.766 -10.994 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.826 6.033 -13.866 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.492 6.389 -13.351 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.516 5.206 -12.450 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.564 6.675 -12.443 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.563 7.814 -13.378 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.871 6.065 -13.486 1.00 0.00 H new ATOM 1276 N ASP A 86 13.146 5.948 -9.096 1.00 0.00 N ATOM 1277 CA ASP A 86 13.130 4.730 -8.278 1.00 0.00 C ATOM 1278 C ASP A 86 12.047 3.758 -8.756 1.00 0.00 C ATOM 1279 O ASP A 86 10.861 4.085 -8.741 1.00 0.00 O ATOM 1280 CB ASP A 86 12.891 5.088 -6.809 1.00 0.00 C ATOM 1281 CG ASP A 86 12.954 3.875 -5.900 1.00 0.00 C ATOM 1282 OD1 ASP A 86 12.129 2.954 -6.079 1.00 0.00 O ATOM 1283 OD2 ASP A 86 13.828 3.847 -5.008 1.00 0.00 O ATOM 0 H ASP A 86 12.461 6.649 -8.815 1.00 0.00 H new ATOM 0 HA ASP A 86 14.099 4.242 -8.380 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.636 5.817 -6.490 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.916 5.564 -6.708 1.00 0.00 H new ATOM 1288 N LEU A 87 12.464 2.569 -9.188 1.00 0.00 N ATOM 1289 CA LEU A 87 11.523 1.558 -9.687 1.00 0.00 C ATOM 1290 C LEU A 87 11.147 0.517 -8.628 1.00 0.00 C ATOM 1291 O LEU A 87 10.292 -0.333 -8.877 1.00 0.00 O ATOM 1292 CB LEU A 87 12.096 0.851 -10.913 1.00 0.00 C ATOM 1293 CG LEU A 87 12.841 1.755 -11.894 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.603 0.922 -12.913 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.871 2.693 -12.593 1.00 0.00 C ATOM 0 H LEU A 87 13.442 2.279 -9.204 1.00 0.00 H new ATOM 0 HA LEU A 87 10.613 2.094 -9.956 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.776 0.068 -10.577 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.281 0.359 -11.444 1.00 0.00 H new ATOM 0 HG LEU A 87 13.558 2.355 -11.334 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.128 1.582 -13.604 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.325 0.288 -12.398 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.903 0.298 -13.469 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.418 3.330 -13.288 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.131 2.109 -13.141 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.367 3.314 -11.852 1.00 0.00 H new ATOM 1307 N ASN A 88 11.794 0.552 -7.464 1.00 0.00 N ATOM 1308 CA ASN A 88 11.523 -0.429 -6.408 1.00 0.00 C ATOM 1309 C ASN A 88 10.024 -0.653 -6.202 1.00 0.00 C ATOM 1310 O ASN A 88 9.605 -1.736 -5.789 1.00 0.00 O ATOM 1311 CB ASN A 88 12.151 0.044 -5.093 1.00 0.00 C ATOM 1312 CG ASN A 88 11.960 -0.943 -3.960 1.00 0.00 C ATOM 1313 OD1 ASN A 88 11.579 -0.566 -2.851 1.00 0.00 O ATOM 1314 ND2 ASN A 88 12.225 -2.213 -4.232 1.00 0.00 N ATOM 0 H ASN A 88 12.505 1.243 -7.227 1.00 0.00 H new ATOM 0 HA ASN A 88 11.962 -1.377 -6.719 1.00 0.00 H new ATOM 0 HB2 ASN A 88 13.217 0.213 -5.245 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.714 1.002 -4.811 1.00 0.00 H new ATOM 0 HD21 ASN A 88 12.116 -2.923 -3.508 1.00 0.00 H new ATOM 0 HD22 ASN A 88 12.538 -2.480 -5.165 1.00 0.00 H new ATOM 1321 N SER A 89 9.221 0.365 -6.486 1.00 0.00 N ATOM 1322 CA SER A 89 7.774 0.257 -6.324 1.00 0.00 C ATOM 1323 C SER A 89 7.110 -0.460 -7.501 1.00 0.00 C ATOM 1324 O SER A 89 6.176 -1.241 -7.311 1.00 0.00 O ATOM 1325 CB SER A 89 7.153 1.644 -6.149 1.00 0.00 C ATOM 1326 OG SER A 89 7.646 2.281 -4.984 1.00 0.00 O ATOM 0 H SER A 89 9.543 1.270 -6.828 1.00 0.00 H new ATOM 0 HA SER A 89 7.598 -0.341 -5.430 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.373 2.257 -7.023 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.068 1.555 -6.087 1.00 0.00 H new ATOM 0 HG SER A 89 7.235 3.166 -4.896 1.00 0.00 H new ATOM 1332 N VAL A 90 7.563 -0.164 -8.715 1.00 0.00 N ATOM 1333 CA VAL A 90 6.978 -0.762 -9.912 1.00 0.00 C ATOM 1334 C VAL A 90 7.347 -2.238 -10.087 1.00 0.00 C ATOM 1335 O VAL A 90 6.473 -3.076 -10.313 1.00 0.00 O ATOM 1336 CB VAL A 90 7.356 0.027 -11.189 1.00 0.00 C ATOM 1337 CG1 VAL A 90 7.245 1.522 -10.944 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.758 -0.321 -11.669 1.00 0.00 C ATOM 0 H VAL A 90 8.330 0.483 -8.897 1.00 0.00 H new ATOM 0 HA VAL A 90 5.899 -0.708 -9.766 1.00 0.00 H new ATOM 0 HB VAL A 90 6.653 -0.259 -11.971 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.514 2.061 -11.853 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.221 1.770 -10.665 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.920 1.810 -10.138 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.988 0.252 -12.567 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.480 -0.079 -10.889 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.811 -1.386 -11.895 1.00 0.00 H new ATOM 1348 N ILE A 91 8.635 -2.554 -10.010 1.00 0.00 N ATOM 1349 CA ILE A 91 9.082 -3.930 -10.187 1.00 0.00 C ATOM 1350 C ILE A 91 8.950 -4.732 -8.892 1.00 0.00 C ATOM 1351 O ILE A 91 9.080 -4.193 -7.794 1.00 0.00 O ATOM 1352 CB ILE A 91 10.534 -3.990 -10.719 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.608 -3.376 -12.126 1.00 0.00 C ATOM 1354 CG2 ILE A 91 11.048 -5.423 -10.734 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.388 -2.077 -12.179 1.00 0.00 C ATOM 0 H ILE A 91 9.381 -1.883 -9.828 1.00 0.00 H new ATOM 0 HA ILE A 91 8.431 -4.385 -10.933 1.00 0.00 H new ATOM 0 HB ILE A 91 11.170 -3.411 -10.049 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.068 -4.095 -12.804 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.596 -3.198 -12.490 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.070 -5.439 -11.112 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.029 -5.827 -9.722 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.413 -6.030 -11.379 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.399 -1.701 -13.202 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.916 -1.342 -11.527 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.411 -2.253 -11.846 1.00 0.00 H new ATOM 1367 N GLU A 92 8.667 -6.024 -9.039 1.00 0.00 N ATOM 1368 CA GLU A 92 8.483 -6.918 -7.901 1.00 0.00 C ATOM 1369 C GLU A 92 9.151 -8.260 -8.180 1.00 0.00 C ATOM 1370 O GLU A 92 9.530 -8.534 -9.318 1.00 0.00 O ATOM 1371 CB GLU A 92 6.985 -7.135 -7.663 1.00 0.00 C ATOM 1372 CG GLU A 92 6.623 -7.430 -6.215 1.00 0.00 C ATOM 1373 CD GLU A 92 5.248 -6.911 -5.841 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.726 -6.037 -6.565 1.00 0.00 O ATOM 1375 OE2 GLU A 92 4.693 -7.380 -4.826 1.00 0.00 O ATOM 0 H GLU A 92 8.559 -6.478 -9.946 1.00 0.00 H new ATOM 0 HA GLU A 92 8.936 -6.470 -7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.444 -6.246 -7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.645 -7.961 -8.287 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.659 -8.506 -6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.368 -6.980 -5.559 1.00 0.00 H new ATOM 1382 N ASN A 93 9.313 -9.095 -7.153 1.00 0.00 N ATOM 1383 CA ASN A 93 9.952 -10.394 -7.336 1.00 0.00 C ATOM 1384 C ASN A 93 8.926 -11.520 -7.237 1.00 0.00 C ATOM 1385 O ASN A 93 8.546 -11.939 -6.143 1.00 0.00 O ATOM 1386 CB ASN A 93 11.046 -10.590 -6.281 1.00 0.00 C ATOM 1387 CG ASN A 93 11.749 -11.929 -6.399 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.747 -12.554 -7.459 1.00 0.00 O ATOM 1389 ND2 ASN A 93 12.361 -12.375 -5.307 1.00 0.00 N ATOM 0 H ASN A 93 9.014 -8.897 -6.198 1.00 0.00 H new ATOM 0 HA ASN A 93 10.400 -10.422 -8.329 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.781 -9.790 -6.374 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.605 -10.503 -5.288 1.00 0.00 H new ATOM 0 HD21 ASN A 93 12.854 -13.268 -5.327 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.338 -11.825 -4.449 1.00 0.00 H new ATOM 1396 N VAL A 94 8.500 -12.011 -8.392 1.00 0.00 N ATOM 1397 CA VAL A 94 7.531 -13.099 -8.460 1.00 0.00 C ATOM 1398 C VAL A 94 8.230 -14.435 -8.702 1.00 0.00 C ATOM 1399 O VAL A 94 8.541 -14.779 -9.842 1.00 0.00 O ATOM 1400 CB VAL A 94 6.490 -12.855 -9.571 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.446 -13.962 -9.586 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.828 -11.497 -9.384 1.00 0.00 C ATOM 0 H VAL A 94 8.812 -11.671 -9.302 1.00 0.00 H new ATOM 0 HA VAL A 94 7.016 -13.133 -7.500 1.00 0.00 H new ATOM 0 HB VAL A 94 7.004 -12.862 -10.532 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.722 -13.769 -10.378 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.934 -14.920 -9.766 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.933 -13.991 -8.625 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.095 -11.337 -10.175 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.329 -11.466 -8.415 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.585 -10.714 -9.427 1.00 0.00 H new ATOM 1412 N ASP A 95 8.477 -15.187 -7.632 1.00 0.00 N ATOM 1413 CA ASP A 95 9.141 -16.484 -7.740 1.00 0.00 C ATOM 1414 C ASP A 95 10.454 -16.390 -8.513 1.00 0.00 C ATOM 1415 O ASP A 95 10.833 -17.325 -9.216 1.00 0.00 O ATOM 1416 CB ASP A 95 8.219 -17.508 -8.404 1.00 0.00 C ATOM 1417 CG ASP A 95 8.685 -18.931 -8.171 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.335 -19.181 -7.132 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.403 -19.797 -9.026 1.00 0.00 O ATOM 0 H ASP A 95 8.227 -14.920 -6.680 1.00 0.00 H new ATOM 0 HA ASP A 95 9.372 -16.811 -6.726 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.208 -17.390 -8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.173 -17.313 -9.475 1.00 0.00 H new ATOM 1424 N GLY A 96 11.148 -15.264 -8.376 1.00 0.00 N ATOM 1425 CA GLY A 96 12.420 -15.090 -9.062 1.00 0.00 C ATOM 1426 C GLY A 96 12.287 -14.400 -10.408 1.00 0.00 C ATOM 1427 O GLY A 96 13.093 -14.630 -11.309 1.00 0.00 O ATOM 0 H GLY A 96 10.856 -14.471 -7.805 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.090 -14.509 -8.428 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.884 -16.066 -9.206 1.00 0.00 H new ATOM 1431 N SER A 97 11.267 -13.558 -10.552 1.00 0.00 N ATOM 1432 CA SER A 97 11.044 -12.842 -11.803 1.00 0.00 C ATOM 1433 C SER A 97 10.584 -11.411 -11.545 1.00 0.00 C ATOM 1434 O SER A 97 9.702 -11.169 -10.720 1.00 0.00 O ATOM 1435 CB SER A 97 10.007 -13.574 -12.658 1.00 0.00 C ATOM 1436 OG SER A 97 10.156 -14.979 -12.549 1.00 0.00 O ATOM 0 H SER A 97 10.585 -13.356 -9.821 1.00 0.00 H new ATOM 0 HA SER A 97 11.992 -12.807 -12.340 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.004 -13.286 -12.344 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.113 -13.274 -13.700 1.00 0.00 H new ATOM 0 HG SER A 97 9.710 -15.293 -11.735 1.00 0.00 H new ATOM 1442 N LEU A 98 11.186 -10.465 -12.262 1.00 0.00 N ATOM 1443 CA LEU A 98 10.837 -9.057 -12.112 1.00 0.00 C ATOM 1444 C LEU A 98 9.481 -8.771 -12.750 1.00 0.00 C ATOM 1445 O LEU A 98 9.289 -8.980 -13.947 1.00 0.00 O ATOM 1446 CB LEU A 98 11.911 -8.165 -12.745 1.00 0.00 C ATOM 1447 CG LEU A 98 13.338 -8.427 -12.261 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.313 -7.479 -12.943 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.422 -8.285 -10.750 1.00 0.00 C ATOM 0 H LEU A 98 11.916 -10.648 -12.951 1.00 0.00 H new ATOM 0 HA LEU A 98 10.779 -8.833 -11.047 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.880 -8.297 -13.826 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.661 -7.123 -12.544 1.00 0.00 H new ATOM 0 HG LEU A 98 13.611 -9.449 -12.525 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.324 -7.679 -12.587 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.272 -7.629 -14.022 1.00 0.00 H new ATOM 0 HD13 LEU A 98 14.043 -6.449 -12.709 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.444 -8.475 -10.423 1.00 0.00 H new ATOM 0 HD22 LEU A 98 13.131 -7.275 -10.463 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.751 -9.004 -10.279 1.00 0.00 H new ATOM 1461 N LYS A 99 8.538 -8.308 -11.936 1.00 0.00 N ATOM 1462 CA LYS A 99 7.191 -8.009 -12.413 1.00 0.00 C ATOM 1463 C LYS A 99 6.775 -6.580 -12.088 1.00 0.00 C ATOM 1464 O LYS A 99 7.083 -6.055 -11.022 1.00 0.00 O ATOM 1465 CB LYS A 99 6.192 -8.993 -11.807 1.00 0.00 C ATOM 1466 CG LYS A 99 6.133 -10.323 -12.541 1.00 0.00 C ATOM 1467 CD LYS A 99 4.981 -10.355 -13.533 1.00 0.00 C ATOM 1468 CE LYS A 99 3.753 -11.024 -12.938 1.00 0.00 C ATOM 1469 NZ LYS A 99 2.815 -11.505 -13.989 1.00 0.00 N ATOM 0 H LYS A 99 8.681 -8.131 -10.942 1.00 0.00 H new ATOM 0 HA LYS A 99 7.196 -8.112 -13.498 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.457 -9.173 -10.765 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.200 -8.541 -11.810 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.073 -10.493 -13.066 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.019 -11.133 -11.821 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.732 -9.338 -13.836 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.288 -10.889 -14.432 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.063 -11.864 -12.317 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.236 -10.319 -12.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.992 -11.955 -13.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.498 -10.700 -14.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.299 -12.197 -14.596 1.00 0.00 H new ATOM 1483 N TYR A 100 6.066 -5.962 -13.026 1.00 0.00 N ATOM 1484 CA TYR A 100 5.590 -4.593 -12.860 1.00 0.00 C ATOM 1485 C TYR A 100 4.356 -4.557 -11.962 1.00 0.00 C ATOM 1486 O TYR A 100 4.135 -3.594 -11.227 1.00 0.00 O ATOM 1487 CB TYR A 100 5.262 -3.988 -14.228 1.00 0.00 C ATOM 1488 CG TYR A 100 4.942 -2.511 -14.189 1.00 0.00 C ATOM 1489 CD1 TYR A 100 3.654 -2.066 -13.921 1.00 0.00 C ATOM 1490 CD2 TYR A 100 5.928 -1.563 -14.424 1.00 0.00 C ATOM 1491 CE1 TYR A 100 3.357 -0.717 -13.889 1.00 0.00 C ATOM 1492 CE2 TYR A 100 5.640 -0.212 -14.394 1.00 0.00 C ATOM 1493 CZ TYR A 100 4.353 0.205 -14.125 1.00 0.00 C ATOM 1494 OH TYR A 100 4.061 1.550 -14.096 1.00 0.00 O ATOM 0 H TYR A 100 5.807 -6.390 -13.915 1.00 0.00 H new ATOM 0 HA TYR A 100 6.377 -4.006 -12.387 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.108 -4.148 -14.896 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.413 -4.522 -14.655 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.871 -2.787 -13.734 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.937 -1.887 -14.634 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.350 -0.387 -13.680 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.418 0.513 -14.580 1.00 0.00 H new ATOM 0 HH TYR A 100 4.874 2.065 -14.282 1.00 0.00 H new