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= 0.16 USER MOD Set 1.2: A 71 SER OG : rot 125:sc= 0.105 USER MOD Set 2.1: A 43 ASN : amide:sc= -2.91! C(o=-4.7!,f=-3.3!) USER MOD Set 2.2: A 58 THR OG1 : rot 131:sc= -1.8! USER MOD Set 3.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 29 GLN : amide:sc= -0.446 K(o=-0.45,f=-1.4) USER MOD Set 4.1: A 7 THR OG1 : rot -160:sc= 0.335 USER MOD Set 4.2: A 93 ASN : amide:sc= -0.463! C(o=-0.13!,f=-6.5!) USER MOD Single : A 10 ASN : amide:sc= -7.65! C(o=-7.6!,f=-19!) USER MOD Single : A 11 THR OG1 : rot -70:sc= -1.53 USER MOD Single : A 12 GLN : amide:sc=-0.00269 X(o=-0.0027,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -160:sc= -1.07 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.0046) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 60:sc= -1.07 USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= -0.164 (180deg=-0.312) USER MOD Single : A 36 ASN : amide:sc= -2.97 K(o=-3,f=-11!) USER MOD Single : A 40 HIS : no HD1:sc= -5.43! C(o=-5.4!,f=-5!) 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 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.678 USER MOD Single : A 54 ASN : amide:sc= -3.09 X(o=-3.1,f=-2.7!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0159 X(o=-0.016,f=-0.4) USER MOD Single : A 60 TYR OH : rot -43:sc= 1.01 USER MOD Single : A 61 ASN : amide:sc= -0.621 K(o=-0.62,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.0691 K(o=-0.069,f=-1.6!) 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 -179:sc= -1.45 USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.05 K(o=-1,f=-5.4!) USER MOD Single : A 82 THR OG1 : rot 52:sc= 0.72 USER MOD Single : A 83 SER OG : rot -50:sc= -0.705 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -6.87! C(o=-6.9!,f=-5.2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 97 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 -161:sc= 1.52 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A 4 11.055 -5.339 -5.290 1.00 0.00 N ATOM 59 CA PHE A 4 11.941 -6.361 -5.859 1.00 0.00 C ATOM 60 C PHE A 4 13.379 -6.205 -5.360 1.00 0.00 C ATOM 61 O PHE A 4 14.062 -7.195 -5.100 1.00 0.00 O ATOM 62 CB PHE A 4 11.899 -6.317 -7.394 1.00 0.00 C ATOM 63 CG PHE A 4 12.713 -5.213 -8.012 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.262 -3.904 -7.988 1.00 0.00 C ATOM 65 CD2 PHE A 4 13.926 -5.489 -8.624 1.00 0.00 C ATOM 66 CE1 PHE A 4 13.006 -2.889 -8.562 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.674 -4.479 -9.198 1.00 0.00 C ATOM 68 CZ PHE A 4 14.213 -3.177 -9.167 1.00 0.00 C ATOM 0 HA PHE A 4 11.578 -7.333 -5.524 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.253 -7.272 -7.781 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.862 -6.208 -7.713 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.319 -3.673 -7.516 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.290 -6.505 -8.652 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.643 -1.872 -8.537 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.618 -4.707 -9.670 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.796 -2.386 -9.615 1.00 0.00 H new ATOM 78 N ILE A 5 13.841 -4.964 -5.236 1.00 0.00 N ATOM 79 CA ILE A 5 15.203 -4.708 -4.779 1.00 0.00 C ATOM 80 C ILE A 5 15.423 -5.220 -3.357 1.00 0.00 C ATOM 81 O ILE A 5 16.560 -5.434 -2.937 1.00 0.00 O ATOM 82 CB ILE A 5 15.556 -3.204 -4.844 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.056 -2.999 -4.625 1.00 0.00 C ATOM 84 CG2 ILE A 5 14.751 -2.406 -3.825 1.00 0.00 C ATOM 85 CD1 ILE A 5 17.900 -3.417 -5.809 1.00 0.00 C ATOM 0 H ILE A 5 13.297 -4.126 -5.444 1.00 0.00 H new ATOM 0 HA ILE A 5 15.862 -5.251 -5.456 1.00 0.00 H new ATOM 0 HB ILE A 5 15.295 -2.838 -5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.243 -1.947 -4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.368 -3.566 -3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.020 -1.352 -3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.687 -2.523 -4.030 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.970 -2.772 -2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 5 18.953 -3.244 -5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.742 -4.476 -6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.615 -2.832 -6.684 1.00 0.00 H new ATOM 97 N GLU A 6 14.336 -5.436 -2.623 1.00 0.00 N ATOM 98 CA GLU A 6 14.436 -5.939 -1.259 1.00 0.00 C ATOM 99 C GLU A 6 14.795 -7.426 -1.247 1.00 0.00 C ATOM 100 O GLU A 6 15.381 -7.922 -0.284 1.00 0.00 O ATOM 101 CB GLU A 6 13.125 -5.710 -0.503 1.00 0.00 C ATOM 102 CG GLU A 6 13.332 -5.253 0.932 1.00 0.00 C ATOM 103 CD GLU A 6 12.216 -5.701 1.857 1.00 0.00 C ATOM 104 OE1 GLU A 6 11.945 -6.919 1.915 1.00 0.00 O ATOM 105 OE2 GLU A 6 11.614 -4.833 2.524 1.00 0.00 O ATOM 0 H GLU A 6 13.383 -5.272 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 6 15.232 -5.389 -0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.533 -4.964 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.547 -6.634 -0.503 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.281 -5.643 1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.403 -4.166 0.956 1.00 0.00 H new ATOM 112 N THR A 7 14.452 -8.131 -2.324 1.00 0.00 N ATOM 113 CA THR A 7 14.755 -9.556 -2.436 1.00 0.00 C ATOM 114 C THR A 7 15.672 -9.847 -3.630 1.00 0.00 C ATOM 115 O THR A 7 16.036 -10.998 -3.875 1.00 0.00 O ATOM 116 CB THR A 7 13.462 -10.367 -2.549 1.00 0.00 C ATOM 117 OG1 THR A 7 12.686 -9.925 -3.647 1.00 0.00 O ATOM 118 CG2 THR A 7 12.595 -10.283 -1.309 1.00 0.00 C ATOM 0 H THR A 7 13.965 -7.739 -3.130 1.00 0.00 H new ATOM 0 HA THR A 7 15.285 -9.854 -1.531 1.00 0.00 H new ATOM 0 HB THR A 7 13.779 -11.401 -2.683 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.756 -10.211 -3.527 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.694 -10.879 -1.454 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.149 -10.665 -0.451 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.317 -9.244 -1.129 1.00 0.00 H new ATOM 126 N CYS A 8 16.032 -8.804 -4.378 1.00 0.00 N ATOM 127 CA CYS A 8 16.896 -8.962 -5.542 1.00 0.00 C ATOM 128 C CYS A 8 18.276 -8.364 -5.292 1.00 0.00 C ATOM 129 O CYS A 8 18.424 -7.417 -4.520 1.00 0.00 O ATOM 130 CB CYS A 8 16.270 -8.301 -6.773 1.00 0.00 C ATOM 131 SG CYS A 8 14.650 -8.983 -7.255 1.00 0.00 S ATOM 0 H CYS A 8 15.738 -7.844 -4.197 1.00 0.00 H new ATOM 0 HA CYS A 8 17.006 -10.031 -5.723 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.158 -7.234 -6.579 1.00 0.00 H new ATOM 0 HB3 CYS A 8 16.957 -8.402 -7.613 1.00 0.00 H new ATOM 136 N ARG A 9 19.281 -8.920 -5.959 1.00 0.00 N ATOM 137 CA ARG A 9 20.650 -8.440 -5.816 1.00 0.00 C ATOM 138 C ARG A 9 21.307 -8.245 -7.180 1.00 0.00 C ATOM 139 O ARG A 9 20.737 -8.613 -8.207 1.00 0.00 O ATOM 140 CB ARG A 9 21.467 -9.419 -4.971 1.00 0.00 C ATOM 141 CG ARG A 9 21.462 -10.842 -5.509 1.00 0.00 C ATOM 142 CD ARG A 9 22.870 -11.336 -5.805 1.00 0.00 C ATOM 143 NE ARG A 9 23.488 -11.950 -4.632 1.00 0.00 N ATOM 144 CZ ARG A 9 24.782 -12.247 -4.541 1.00 0.00 C ATOM 145 NH1 ARG A 9 25.601 -12.015 -5.559 1.00 0.00 N ATOM 146 NH2 ARG A 9 25.258 -12.785 -3.426 1.00 0.00 N ATOM 0 H ARG A 9 19.173 -9.703 -6.604 1.00 0.00 H new ATOM 0 HA ARG A 9 20.621 -7.474 -5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.496 -9.065 -4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.075 -9.423 -3.954 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.989 -11.504 -4.783 1.00 0.00 H new ATOM 0 HG3 ARG A 9 20.862 -10.885 -6.418 1.00 0.00 H new ATOM 0 HD2 ARG A 9 22.837 -12.060 -6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 9 23.484 -10.502 -6.144 1.00 0.00 H new ATOM 0 HE ARG A 9 22.891 -12.164 -3.833 1.00 0.00 H new ATOM 0 HH11 ARG A 9 25.240 -11.606 -6.421 1.00 0.00 H new ATOM 0 HH12 ARG A 9 26.591 -12.246 -5.480 1.00 0.00 H new ATOM 0 HH21 ARG A 9 24.633 -12.970 -2.642 1.00 0.00 H new ATOM 0 HH22 ARG A 9 26.249 -13.014 -3.353 1.00 0.00 H new ATOM 160 N ASN A 10 22.506 -7.657 -7.185 1.00 0.00 N ATOM 161 CA ASN A 10 23.254 -7.402 -8.418 1.00 0.00 C ATOM 162 C ASN A 10 22.399 -6.731 -9.490 1.00 0.00 C ATOM 163 O ASN A 10 22.248 -7.253 -10.596 1.00 0.00 O ATOM 164 CB ASN A 10 23.874 -8.695 -8.962 1.00 0.00 C ATOM 165 CG ASN A 10 22.842 -9.741 -9.326 1.00 0.00 C ATOM 166 OD1 ASN A 10 22.343 -10.462 -8.462 1.00 0.00 O ATOM 167 ND2 ASN A 10 22.520 -9.834 -10.611 1.00 0.00 N ATOM 0 H ASN A 10 22.983 -7.346 -6.339 1.00 0.00 H new ATOM 0 HA ASN A 10 24.054 -6.708 -8.160 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.472 -8.462 -9.843 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.553 -9.107 -8.216 1.00 0.00 H new ATOM 0 HD21 ASN A 10 21.834 -10.524 -10.916 1.00 0.00 H new ATOM 0 HD22 ASN A 10 22.959 -9.215 -11.293 1.00 0.00 H new ATOM 174 N THR A 11 21.858 -5.560 -9.163 1.00 0.00 N ATOM 175 CA THR A 11 21.047 -4.809 -10.111 1.00 0.00 C ATOM 176 C THR A 11 21.950 -4.071 -11.094 1.00 0.00 C ATOM 177 O THR A 11 22.935 -3.448 -10.699 1.00 0.00 O ATOM 178 CB THR A 11 20.132 -3.822 -9.381 1.00 0.00 C ATOM 179 OG1 THR A 11 20.865 -2.693 -8.939 1.00 0.00 O ATOM 180 CG2 THR A 11 19.444 -4.424 -8.174 1.00 0.00 C ATOM 0 H THR A 11 21.967 -5.114 -8.252 1.00 0.00 H new ATOM 0 HA THR A 11 20.418 -5.508 -10.662 1.00 0.00 H new ATOM 0 HB THR A 11 19.372 -3.540 -10.109 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.463 -2.956 -8.208 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.811 -3.672 -7.703 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.831 -5.269 -8.488 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.194 -4.765 -7.460 1.00 0.00 H new ATOM 188 N GLN A 12 21.614 -4.155 -12.375 1.00 0.00 N ATOM 189 CA GLN A 12 22.405 -3.509 -13.419 1.00 0.00 C ATOM 190 C GLN A 12 21.579 -3.263 -14.673 1.00 0.00 C ATOM 191 O GLN A 12 20.508 -3.844 -14.848 1.00 0.00 O ATOM 192 CB GLN A 12 23.637 -4.350 -13.753 1.00 0.00 C ATOM 193 CG GLN A 12 23.314 -5.802 -14.060 1.00 0.00 C ATOM 194 CD GLN A 12 24.438 -6.507 -14.792 1.00 0.00 C ATOM 195 OE1 GLN A 12 24.223 -7.124 -15.836 1.00 0.00 O ATOM 196 NE2 GLN A 12 25.647 -6.420 -14.248 1.00 0.00 N ATOM 0 H GLN A 12 20.799 -4.664 -12.718 1.00 0.00 H new ATOM 0 HA GLN A 12 22.729 -2.541 -13.037 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.146 -3.910 -14.611 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.333 -4.310 -12.915 1.00 0.00 H new ATOM 0 HG2 GLN A 12 23.105 -6.329 -13.129 1.00 0.00 H new ATOM 0 HG3 GLN A 12 22.407 -5.849 -14.663 1.00 0.00 H new ATOM 0 HE21 GLN A 12 25.780 -5.898 -13.382 1.00 0.00 H new ATOM 0 HE22 GLN A 12 26.442 -6.875 -14.697 1.00 0.00 H new ATOM 205 N LEU A 13 22.085 -2.395 -15.544 1.00 0.00 N ATOM 206 CA LEU A 13 21.393 -2.068 -16.783 1.00 0.00 C ATOM 207 C LEU A 13 21.946 -2.874 -17.948 1.00 0.00 C ATOM 208 O LEU A 13 23.160 -2.992 -18.120 1.00 0.00 O ATOM 209 CB LEU A 13 21.539 -0.580 -17.106 1.00 0.00 C ATOM 210 CG LEU A 13 20.836 -0.133 -18.393 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.635 0.740 -18.068 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.799 0.605 -19.316 1.00 0.00 C ATOM 0 H LEU A 13 22.971 -1.907 -15.413 1.00 0.00 H new ATOM 0 HA LEU A 13 20.341 -2.314 -16.641 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.144 -0.000 -16.272 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.600 -0.342 -17.186 1.00 0.00 H new ATOM 0 HG LEU A 13 20.487 -1.025 -18.914 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.148 1.048 -18.993 1.00 0.00 H new ATOM 0 HD12 LEU A 13 18.930 0.176 -17.457 1.00 0.00 H new ATOM 0 HD13 LEU A 13 19.964 1.623 -17.520 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.274 0.910 -20.221 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.187 1.487 -18.807 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.626 -0.054 -19.581 1.00 0.00 H new ATOM 224 N ALA A 14 21.043 -3.406 -18.761 1.00 0.00 N ATOM 225 CA ALA A 14 21.414 -4.177 -19.932 1.00 0.00 C ATOM 226 C ALA A 14 20.878 -3.481 -21.173 1.00 0.00 C ATOM 227 O ALA A 14 19.802 -2.884 -21.133 1.00 0.00 O ATOM 228 CB ALA A 14 20.864 -5.592 -19.833 1.00 0.00 C ATOM 0 H ALA A 14 20.036 -3.314 -18.625 1.00 0.00 H new ATOM 0 HA ALA A 14 22.500 -4.243 -19.995 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.151 -6.157 -20.720 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.269 -6.079 -18.946 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.777 -5.556 -19.763 1.00 0.00 H new ATOM 234 N GLY A 15 21.624 -3.531 -22.266 1.00 0.00 N ATOM 235 CA GLY A 15 21.175 -2.867 -23.475 1.00 0.00 C ATOM 236 C GLY A 15 20.968 -1.381 -23.251 1.00 0.00 C ATOM 237 O GLY A 15 21.638 -0.780 -22.411 1.00 0.00 O ATOM 0 H GLY A 15 22.520 -4.012 -22.340 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.908 -3.018 -24.267 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.242 -3.318 -23.814 1.00 0.00 H new ATOM 241 N SER A 16 20.067 -0.776 -24.018 1.00 0.00 N ATOM 242 CA SER A 16 19.820 0.657 -23.903 1.00 0.00 C ATOM 243 C SER A 16 18.782 0.993 -22.837 1.00 0.00 C ATOM 244 O SER A 16 18.899 2.017 -22.163 1.00 0.00 O ATOM 245 CB SER A 16 19.338 1.214 -25.240 1.00 0.00 C ATOM 246 OG SER A 16 20.039 0.628 -26.323 1.00 0.00 O ATOM 0 H SER A 16 19.500 -1.251 -24.720 1.00 0.00 H new ATOM 0 HA SER A 16 20.766 1.112 -23.610 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.270 1.027 -25.351 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.475 2.295 -25.257 1.00 0.00 H new ATOM 0 HG SER A 16 19.709 1.002 -27.167 1.00 0.00 H new ATOM 252 N SER A 17 17.755 0.160 -22.690 1.00 0.00 N ATOM 253 CA SER A 17 16.715 0.440 -21.712 1.00 0.00 C ATOM 254 C SER A 17 16.231 -0.820 -20.988 1.00 0.00 C ATOM 255 O SER A 17 15.055 -0.927 -20.645 1.00 0.00 O ATOM 256 CB SER A 17 15.548 1.141 -22.407 1.00 0.00 C ATOM 257 OG SER A 17 15.300 0.581 -23.686 1.00 0.00 O ATOM 0 H SER A 17 17.624 -0.698 -23.226 1.00 0.00 H new ATOM 0 HA SER A 17 17.141 1.090 -20.948 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.652 1.058 -21.791 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.768 2.204 -22.509 1.00 0.00 H new ATOM 0 HG SER A 17 14.790 1.218 -24.229 1.00 0.00 H new ATOM 263 N GLU A 18 17.141 -1.760 -20.744 1.00 0.00 N ATOM 264 CA GLU A 18 16.798 -2.997 -20.034 1.00 0.00 C ATOM 265 C GLU A 18 17.518 -3.107 -18.695 1.00 0.00 C ATOM 266 O GLU A 18 18.635 -2.621 -18.533 1.00 0.00 O ATOM 267 CB GLU A 18 17.093 -4.239 -20.880 1.00 0.00 C ATOM 268 CG GLU A 18 15.992 -4.585 -21.866 1.00 0.00 C ATOM 269 CD GLU A 18 16.267 -4.091 -23.272 1.00 0.00 C ATOM 270 OE1 GLU A 18 15.963 -2.914 -23.558 1.00 0.00 O ATOM 271 OE2 GLU A 18 16.777 -4.885 -24.091 1.00 0.00 O ATOM 0 H GLU A 18 18.119 -1.693 -21.025 1.00 0.00 H new ATOM 0 HA GLU A 18 15.725 -2.949 -19.845 1.00 0.00 H new ATOM 0 HB2 GLU A 18 18.022 -4.082 -21.428 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.254 -5.089 -20.217 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.861 -5.667 -21.888 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.053 -4.157 -21.516 1.00 0.00 H new ATOM 278 N LEU A 19 16.858 -3.757 -17.739 1.00 0.00 N ATOM 279 CA LEU A 19 17.413 -3.958 -16.405 1.00 0.00 C ATOM 280 C LEU A 19 17.470 -5.451 -16.098 1.00 0.00 C ATOM 281 O LEU A 19 16.448 -6.137 -16.144 1.00 0.00 O ATOM 282 CB LEU A 19 16.554 -3.228 -15.359 1.00 0.00 C ATOM 283 CG LEU A 19 16.715 -3.704 -13.910 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.150 -3.523 -13.439 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.755 -2.955 -12.995 1.00 0.00 C ATOM 0 H LEU A 19 15.928 -4.157 -17.867 1.00 0.00 H new ATOM 0 HA LEU A 19 18.422 -3.548 -16.368 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.791 -2.165 -15.400 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.506 -3.332 -15.641 1.00 0.00 H new ATOM 0 HG LEU A 19 16.475 -4.766 -13.870 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.241 -3.867 -12.409 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.818 -4.103 -14.076 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.421 -2.469 -13.495 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.882 -3.304 -11.970 1.00 0.00 H new ATOM 0 HD22 LEU A 19 15.966 -1.887 -13.043 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.729 -3.137 -13.316 1.00 0.00 H new ATOM 297 N ALA A 20 18.652 -5.960 -15.768 1.00 0.00 N ATOM 298 CA ALA A 20 18.798 -7.369 -15.447 1.00 0.00 C ATOM 299 C ALA A 20 19.327 -7.529 -14.024 1.00 0.00 C ATOM 300 O ALA A 20 20.128 -6.722 -13.553 1.00 0.00 O ATOM 301 CB ALA A 20 19.700 -8.053 -16.465 1.00 0.00 C ATOM 0 H ALA A 20 19.516 -5.420 -15.717 1.00 0.00 H new ATOM 0 HA ALA A 20 17.823 -7.853 -15.496 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.800 -9.108 -16.211 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.264 -7.959 -17.459 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.683 -7.582 -16.454 1.00 0.00 H new ATOM 307 N ALA A 21 18.852 -8.561 -13.341 1.00 0.00 N ATOM 308 CA ALA A 21 19.244 -8.820 -11.960 1.00 0.00 C ATOM 309 C ALA A 21 18.934 -10.262 -11.568 1.00 0.00 C ATOM 310 O ALA A 21 18.254 -10.977 -12.302 1.00 0.00 O ATOM 311 CB ALA A 21 18.532 -7.855 -11.026 1.00 0.00 C ATOM 0 H ALA A 21 18.190 -9.237 -13.722 1.00 0.00 H new ATOM 0 HA ALA A 21 20.320 -8.668 -11.874 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.831 -8.057 -9.997 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.799 -6.831 -11.288 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.454 -7.984 -11.122 1.00 0.00 H new ATOM 317 N GLU A 22 19.381 -10.672 -10.385 1.00 0.00 N ATOM 318 CA GLU A 22 19.082 -12.008 -9.887 1.00 0.00 C ATOM 319 C GLU A 22 18.160 -11.874 -8.679 1.00 0.00 C ATOM 320 O GLU A 22 18.401 -11.043 -7.802 1.00 0.00 O ATOM 321 CB GLU A 22 20.361 -12.759 -9.500 1.00 0.00 C ATOM 322 CG GLU A 22 21.185 -13.225 -10.690 1.00 0.00 C ATOM 323 CD GLU A 22 22.650 -13.417 -10.346 1.00 0.00 C ATOM 324 OE1 GLU A 22 23.405 -12.423 -10.387 1.00 0.00 O ATOM 325 OE2 GLU A 22 23.042 -14.562 -10.037 1.00 0.00 O ATOM 0 H GLU A 22 19.948 -10.102 -9.758 1.00 0.00 H new ATOM 0 HA GLU A 22 18.595 -12.584 -10.673 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.976 -12.111 -8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.093 -13.625 -8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.777 -14.164 -11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.097 -12.496 -11.496 1.00 0.00 H new ATOM 332 N CYS A 23 17.095 -12.667 -8.626 1.00 0.00 N ATOM 333 CA CYS A 23 16.160 -12.576 -7.513 1.00 0.00 C ATOM 334 C CYS A 23 15.857 -13.940 -6.909 1.00 0.00 C ATOM 335 O CYS A 23 15.598 -14.908 -7.624 1.00 0.00 O ATOM 336 CB CYS A 23 14.862 -11.912 -7.967 1.00 0.00 C ATOM 337 SG CYS A 23 15.095 -10.283 -8.747 1.00 0.00 S ATOM 0 H CYS A 23 16.861 -13.368 -9.328 1.00 0.00 H new ATOM 0 HA CYS A 23 16.633 -11.968 -6.741 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.356 -12.572 -8.672 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.203 -11.800 -7.106 1.00 0.00 H new ATOM 342 N LYS A 24 15.901 -14.006 -5.584 1.00 0.00 N ATOM 343 CA LYS A 24 15.637 -15.249 -4.874 1.00 0.00 C ATOM 344 C LYS A 24 14.188 -15.699 -5.045 1.00 0.00 C ATOM 345 O LYS A 24 13.256 -14.898 -4.966 1.00 0.00 O ATOM 346 CB LYS A 24 15.975 -15.100 -3.386 1.00 0.00 C ATOM 347 CG LYS A 24 15.105 -14.090 -2.652 1.00 0.00 C ATOM 348 CD LYS A 24 14.870 -14.504 -1.207 1.00 0.00 C ATOM 349 CE LYS A 24 15.811 -13.780 -0.256 1.00 0.00 C ATOM 350 NZ LYS A 24 15.831 -14.409 1.095 1.00 0.00 N ATOM 0 H LYS A 24 16.117 -13.213 -4.980 1.00 0.00 H new ATOM 0 HA LYS A 24 16.277 -16.017 -5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.874 -16.071 -2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 24 17.019 -14.803 -3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.582 -13.110 -2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.148 -13.992 -3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.837 -14.291 -0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.010 -15.580 -1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.819 -13.782 -0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.505 -12.738 -0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.484 -13.885 1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.875 -14.385 1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.148 -15.396 1.014 1.00 0.00 H new ATOM 364 N THR A 25 14.019 -16.998 -5.277 1.00 0.00 N ATOM 365 CA THR A 25 12.698 -17.590 -5.461 1.00 0.00 C ATOM 366 C THR A 25 12.083 -17.956 -4.115 1.00 0.00 C ATOM 367 O THR A 25 12.669 -17.691 -3.066 1.00 0.00 O ATOM 368 CB THR A 25 12.794 -18.837 -6.341 1.00 0.00 C ATOM 369 OG1 THR A 25 13.587 -19.829 -5.714 1.00 0.00 O ATOM 370 CG2 THR A 25 13.393 -18.567 -7.705 1.00 0.00 C ATOM 0 H THR A 25 14.788 -17.665 -5.342 1.00 0.00 H new ATOM 0 HA THR A 25 12.060 -16.855 -5.951 1.00 0.00 H new ATOM 0 HB THR A 25 11.766 -19.175 -6.476 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.637 -20.620 -6.290 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.431 -19.495 -8.276 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.778 -17.840 -8.235 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.402 -18.172 -7.588 1.00 0.00 H new ATOM 378 N ARG A 26 10.900 -18.565 -4.145 1.00 0.00 N ATOM 379 CA ARG A 26 10.216 -18.964 -2.920 1.00 0.00 C ATOM 380 C ARG A 26 11.044 -19.977 -2.130 1.00 0.00 C ATOM 381 O ARG A 26 10.942 -20.053 -0.906 1.00 0.00 O ATOM 382 CB ARG A 26 8.845 -19.562 -3.251 1.00 0.00 C ATOM 383 CG ARG A 26 7.912 -18.603 -3.976 1.00 0.00 C ATOM 384 CD ARG A 26 6.459 -18.845 -3.597 1.00 0.00 C ATOM 385 NE ARG A 26 6.063 -20.235 -3.812 1.00 0.00 N ATOM 386 CZ ARG A 26 4.965 -20.785 -3.298 1.00 0.00 C ATOM 387 NH1 ARG A 26 4.160 -20.075 -2.515 1.00 0.00 N ATOM 388 NH2 ARG A 26 4.673 -22.051 -3.564 1.00 0.00 N ATOM 0 H ARG A 26 10.397 -18.792 -5.003 1.00 0.00 H new ATOM 0 HA ARG A 26 10.084 -18.074 -2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.986 -20.451 -3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.369 -19.887 -2.326 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.186 -17.576 -3.735 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.033 -18.721 -5.053 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.309 -18.583 -2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.817 -18.190 -4.185 1.00 0.00 H new ATOM 0 HE ARG A 26 6.665 -20.820 -4.392 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.382 -19.102 -2.304 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.320 -20.503 -2.125 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.289 -22.602 -4.162 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.832 -22.474 -3.171 1.00 0.00 H new ATOM 402 N ALA A 27 11.840 -20.774 -2.841 1.00 0.00 N ATOM 403 CA ALA A 27 12.660 -21.804 -2.208 1.00 0.00 C ATOM 404 C ALA A 27 13.967 -21.251 -1.635 1.00 0.00 C ATOM 405 O ALA A 27 14.841 -22.017 -1.229 1.00 0.00 O ATOM 406 CB ALA A 27 12.956 -22.915 -3.205 1.00 0.00 C ATOM 0 H ALA A 27 11.934 -20.726 -3.856 1.00 0.00 H new ATOM 0 HA ALA A 27 12.088 -22.199 -1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.568 -23.680 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.020 -23.359 -3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.493 -22.503 -4.060 1.00 0.00 H new ATOM 412 N GLN A 28 14.114 -19.928 -1.623 1.00 0.00 N ATOM 413 CA GLN A 28 15.333 -19.292 -1.124 1.00 0.00 C ATOM 414 C GLN A 28 16.529 -19.614 -2.017 1.00 0.00 C ATOM 415 O GLN A 28 17.651 -19.789 -1.542 1.00 0.00 O ATOM 416 CB GLN A 28 15.625 -19.730 0.315 1.00 0.00 C ATOM 417 CG GLN A 28 14.393 -19.777 1.205 1.00 0.00 C ATOM 418 CD GLN A 28 14.713 -19.480 2.657 1.00 0.00 C ATOM 419 OE1 GLN A 28 14.443 -20.291 3.544 1.00 0.00 O ATOM 420 NE2 GLN A 28 15.292 -18.311 2.909 1.00 0.00 N ATOM 0 H GLN A 28 13.404 -19.274 -1.953 1.00 0.00 H new ATOM 0 HA GLN A 28 15.171 -18.214 -1.139 1.00 0.00 H new ATOM 0 HB2 GLN A 28 16.087 -20.717 0.298 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.352 -19.046 0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.660 -19.056 0.843 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.934 -20.763 1.132 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.498 -17.669 2.144 1.00 0.00 H new ATOM 0 HE22 GLN A 28 15.530 -18.056 3.867 1.00 0.00 H new ATOM 429 N GLN A 29 16.269 -19.652 -3.320 1.00 0.00 N ATOM 430 CA GLN A 29 17.300 -19.909 -4.321 1.00 0.00 C ATOM 431 C GLN A 29 17.402 -18.697 -5.238 1.00 0.00 C ATOM 432 O GLN A 29 16.383 -18.141 -5.640 1.00 0.00 O ATOM 433 CB GLN A 29 16.962 -21.165 -5.128 1.00 0.00 C ATOM 434 CG GLN A 29 16.466 -22.318 -4.272 1.00 0.00 C ATOM 435 CD GLN A 29 15.779 -23.397 -5.084 1.00 0.00 C ATOM 436 OE1 GLN A 29 15.021 -23.107 -6.010 1.00 0.00 O ATOM 437 NE2 GLN A 29 16.039 -24.653 -4.739 1.00 0.00 N ATOM 0 H GLN A 29 15.339 -19.506 -3.712 1.00 0.00 H new ATOM 0 HA GLN A 29 18.257 -20.077 -3.827 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.201 -20.918 -5.868 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.848 -21.485 -5.677 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.308 -22.754 -3.735 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.773 -21.936 -3.522 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.674 -24.848 -3.965 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.604 -25.422 -5.248 1.00 0.00 H new ATOM 446 N PHE A 30 18.619 -18.263 -5.551 1.00 0.00 N ATOM 447 CA PHE A 30 18.798 -17.087 -6.399 1.00 0.00 C ATOM 448 C PHE A 30 18.938 -17.466 -7.871 1.00 0.00 C ATOM 449 O PHE A 30 19.801 -18.263 -8.243 1.00 0.00 O ATOM 450 CB PHE A 30 20.022 -16.293 -5.935 1.00 0.00 C ATOM 451 CG PHE A 30 19.828 -15.633 -4.598 1.00 0.00 C ATOM 452 CD1 PHE A 30 19.750 -16.392 -3.440 1.00 0.00 C ATOM 453 CD2 PHE A 30 19.714 -14.255 -4.499 1.00 0.00 C ATOM 454 CE1 PHE A 30 19.564 -15.789 -2.210 1.00 0.00 C ATOM 455 CE2 PHE A 30 19.527 -13.647 -3.271 1.00 0.00 C ATOM 456 CZ PHE A 30 19.453 -14.415 -2.126 1.00 0.00 C ATOM 0 H PHE A 30 19.485 -18.700 -5.236 1.00 0.00 H new ATOM 0 HA PHE A 30 17.906 -16.467 -6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.882 -16.961 -5.882 1.00 0.00 H new ATOM 0 HB3 PHE A 30 20.256 -15.531 -6.679 1.00 0.00 H new ATOM 0 HD1 PHE A 30 19.836 -17.467 -3.500 1.00 0.00 H new ATOM 0 HD2 PHE A 30 19.772 -13.649 -5.391 1.00 0.00 H new ATOM 0 HE1 PHE A 30 19.506 -16.392 -1.316 1.00 0.00 H new ATOM 0 HE2 PHE A 30 19.439 -12.572 -3.208 1.00 0.00 H new ATOM 0 HZ PHE A 30 19.309 -13.942 -1.166 1.00 0.00 H new ATOM 466 N VAL A 31 18.075 -16.883 -8.705 1.00 0.00 N ATOM 467 CA VAL A 31 18.083 -17.144 -10.139 1.00 0.00 C ATOM 468 C VAL A 31 18.074 -15.833 -10.928 1.00 0.00 C ATOM 469 O VAL A 31 17.581 -14.813 -10.447 1.00 0.00 O ATOM 470 CB VAL A 31 16.870 -18.005 -10.559 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.866 -19.327 -9.805 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.564 -17.258 -10.327 1.00 0.00 C ATOM 0 H VAL A 31 17.358 -16.223 -8.405 1.00 0.00 H new ATOM 0 HA VAL A 31 18.997 -17.694 -10.365 1.00 0.00 H new ATOM 0 HB VAL A 31 16.958 -18.213 -11.625 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.005 -19.919 -10.114 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.782 -19.875 -10.027 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.809 -19.135 -8.734 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.727 -17.886 -10.631 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.468 -17.012 -9.269 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.561 -16.340 -10.915 1.00 0.00 H new ATOM 482 N SER A 32 18.651 -15.857 -12.127 1.00 0.00 N ATOM 483 CA SER A 32 18.730 -14.660 -12.964 1.00 0.00 C ATOM 484 C SER A 32 17.373 -14.282 -13.555 1.00 0.00 C ATOM 485 O SER A 32 16.627 -15.136 -14.036 1.00 0.00 O ATOM 486 CB SER A 32 19.742 -14.865 -14.092 1.00 0.00 C ATOM 487 OG SER A 32 20.049 -13.637 -14.730 1.00 0.00 O ATOM 0 H SER A 32 19.070 -16.690 -12.541 1.00 0.00 H new ATOM 0 HA SER A 32 19.056 -13.841 -12.323 1.00 0.00 H new ATOM 0 HB2 SER A 32 20.654 -15.308 -13.691 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.340 -15.568 -14.822 1.00 0.00 H new ATOM 0 HG SER A 32 20.699 -13.794 -15.446 1.00 0.00 H new ATOM 493 N THR A 33 17.071 -12.985 -13.517 1.00 0.00 N ATOM 494 CA THR A 33 15.816 -12.454 -14.041 1.00 0.00 C ATOM 495 C THR A 33 16.041 -11.073 -14.655 1.00 0.00 C ATOM 496 O THR A 33 17.050 -10.424 -14.380 1.00 0.00 O ATOM 497 CB THR A 33 14.767 -12.373 -12.933 1.00 0.00 C ATOM 498 OG1 THR A 33 13.642 -11.626 -13.361 1.00 0.00 O ATOM 499 CG2 THR A 33 15.288 -11.736 -11.664 1.00 0.00 C ATOM 0 H THR A 33 17.688 -12.275 -13.123 1.00 0.00 H new ATOM 0 HA THR A 33 15.452 -13.128 -14.816 1.00 0.00 H new ATOM 0 HB THR A 33 14.494 -13.406 -12.716 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.243 -12.057 -14.146 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.494 -11.709 -10.918 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.126 -12.319 -11.282 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.620 -10.720 -11.877 1.00 0.00 H new ATOM 507 N LYS A 34 15.109 -10.624 -15.490 1.00 0.00 N ATOM 508 CA LYS A 34 15.250 -9.326 -16.134 1.00 0.00 C ATOM 509 C LYS A 34 13.915 -8.602 -16.268 1.00 0.00 C ATOM 510 O LYS A 34 12.849 -9.217 -16.283 1.00 0.00 O ATOM 511 CB LYS A 34 15.882 -9.494 -17.520 1.00 0.00 C ATOM 512 CG LYS A 34 16.376 -8.190 -18.130 1.00 0.00 C ATOM 513 CD LYS A 34 16.971 -8.407 -19.514 1.00 0.00 C ATOM 514 CE LYS A 34 15.906 -8.354 -20.599 1.00 0.00 C ATOM 515 NZ LYS A 34 16.500 -8.172 -21.954 1.00 0.00 N ATOM 0 H LYS A 34 14.259 -11.133 -15.733 1.00 0.00 H new ATOM 0 HA LYS A 34 15.896 -8.719 -15.500 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.718 -10.190 -17.446 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.150 -9.944 -18.191 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.549 -7.483 -18.196 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.126 -7.744 -17.477 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.727 -7.646 -19.709 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.475 -9.373 -19.546 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.322 -9.274 -20.579 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.217 -7.535 -20.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.746 -7.955 -22.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.183 -7.388 -21.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.986 -9.046 -22.240 1.00 0.00 H new ATOM 529 N ILE A 35 14.003 -7.283 -16.391 1.00 0.00 N ATOM 530 CA ILE A 35 12.838 -6.424 -16.553 1.00 0.00 C ATOM 531 C ILE A 35 13.152 -5.395 -17.631 1.00 0.00 C ATOM 532 O ILE A 35 14.172 -4.711 -17.557 1.00 0.00 O ATOM 533 CB ILE A 35 12.468 -5.723 -15.224 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.171 -4.921 -15.364 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.603 -4.827 -14.754 1.00 0.00 C ATOM 536 CD1 ILE A 35 9.987 -5.566 -14.677 1.00 0.00 C ATOM 0 H ILE A 35 14.889 -6.778 -16.381 1.00 0.00 H new ATOM 0 HA ILE A 35 11.979 -7.027 -16.847 1.00 0.00 H new ATOM 0 HB ILE A 35 12.306 -6.496 -14.473 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.323 -3.924 -14.950 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.943 -4.795 -16.422 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.322 -4.344 -13.818 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.499 -5.427 -14.597 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.803 -4.067 -15.509 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.102 -4.945 -14.817 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.809 -6.552 -15.107 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.195 -5.667 -13.612 1.00 0.00 H new ATOM 548 N ASN A 36 12.305 -5.305 -18.653 1.00 0.00 N ATOM 549 CA ASN A 36 12.547 -4.380 -19.755 1.00 0.00 C ATOM 550 C ASN A 36 11.948 -3.010 -19.459 1.00 0.00 C ATOM 551 O ASN A 36 10.740 -2.883 -19.265 1.00 0.00 O ATOM 552 CB ASN A 36 11.940 -4.944 -21.037 1.00 0.00 C ATOM 553 CG ASN A 36 12.566 -4.347 -22.279 1.00 0.00 C ATOM 554 OD1 ASN A 36 13.088 -3.233 -22.251 1.00 0.00 O ATOM 555 ND2 ASN A 36 12.522 -5.091 -23.378 1.00 0.00 N ATOM 0 H ASN A 36 11.452 -5.857 -18.741 1.00 0.00 H new ATOM 0 HA ASN A 36 13.624 -4.262 -19.878 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.069 -6.026 -21.052 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.867 -4.751 -21.044 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.932 -4.744 -24.245 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.079 -6.009 -23.355 1.00 0.00 H new ATOM 562 N LEU A 37 12.794 -1.990 -19.421 1.00 0.00 N ATOM 563 CA LEU A 37 12.336 -0.636 -19.136 1.00 0.00 C ATOM 564 C LEU A 37 11.925 0.113 -20.404 1.00 0.00 C ATOM 565 O LEU A 37 11.301 1.171 -20.322 1.00 0.00 O ATOM 566 CB LEU A 37 13.422 0.133 -18.385 1.00 0.00 C ATOM 567 CG LEU A 37 13.937 -0.578 -17.132 1.00 0.00 C ATOM 568 CD1 LEU A 37 15.062 -1.540 -17.486 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.394 0.430 -16.089 1.00 0.00 C ATOM 0 H LEU A 37 13.798 -2.073 -19.583 1.00 0.00 H new ATOM 0 HA LEU A 37 11.447 -0.711 -18.509 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.260 0.310 -19.060 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.030 1.110 -18.101 1.00 0.00 H new ATOM 0 HG LEU A 37 13.117 -1.156 -16.705 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.415 -2.036 -16.582 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.694 -2.287 -18.189 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.884 -0.987 -17.941 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.756 -0.098 -15.207 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.197 1.041 -16.501 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.557 1.070 -15.811 1.00 0.00 H new ATOM 581 N ASP A 38 12.308 -0.404 -21.571 1.00 0.00 N ATOM 582 CA ASP A 38 11.993 0.265 -22.830 1.00 0.00 C ATOM 583 C ASP A 38 10.481 0.478 -23.011 1.00 0.00 C ATOM 584 O ASP A 38 10.047 1.571 -23.371 1.00 0.00 O ATOM 585 CB ASP A 38 12.588 -0.512 -24.016 1.00 0.00 C ATOM 586 CG ASP A 38 11.755 -1.709 -24.441 1.00 0.00 C ATOM 587 OD1 ASP A 38 11.180 -2.379 -23.560 1.00 0.00 O ATOM 588 OD2 ASP A 38 11.686 -1.978 -25.659 1.00 0.00 O ATOM 0 H ASP A 38 12.831 -1.274 -21.670 1.00 0.00 H new ATOM 0 HA ASP A 38 12.449 1.254 -22.798 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.696 0.164 -24.864 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.589 -0.853 -23.750 1.00 0.00 H new ATOM 593 N ASP A 39 9.674 -0.544 -22.739 1.00 0.00 N ATOM 594 CA ASP A 39 8.218 -0.407 -22.858 1.00 0.00 C ATOM 595 C ASP A 39 7.587 -0.005 -21.529 1.00 0.00 C ATOM 596 O ASP A 39 6.407 0.343 -21.477 1.00 0.00 O ATOM 597 CB ASP A 39 7.563 -1.691 -23.364 1.00 0.00 C ATOM 598 CG ASP A 39 8.156 -2.935 -22.735 1.00 0.00 C ATOM 599 OD1 ASP A 39 8.698 -2.832 -21.615 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.078 -4.011 -23.362 1.00 0.00 O ATOM 0 H ASP A 39 9.993 -1.465 -22.439 1.00 0.00 H new ATOM 0 HA ASP A 39 8.042 0.382 -23.589 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.494 -1.656 -23.154 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.673 -1.748 -24.447 1.00 0.00 H new ATOM 605 N HIS A 40 8.369 -0.051 -20.452 1.00 0.00 N ATOM 606 CA HIS A 40 7.871 0.311 -19.128 1.00 0.00 C ATOM 607 C HIS A 40 8.183 1.776 -18.847 1.00 0.00 C ATOM 608 O HIS A 40 7.281 2.608 -18.751 1.00 0.00 O ATOM 609 CB HIS A 40 8.517 -0.579 -18.061 1.00 0.00 C ATOM 610 CG HIS A 40 7.770 -1.853 -17.802 1.00 0.00 C ATOM 611 ND1 HIS A 40 6.404 -1.901 -17.624 1.00 0.00 N ATOM 612 CD2 HIS A 40 8.207 -3.132 -17.684 1.00 0.00 C ATOM 613 CE1 HIS A 40 6.033 -3.150 -17.405 1.00 0.00 C ATOM 614 NE2 HIS A 40 7.107 -3.917 -17.437 1.00 0.00 N ATOM 0 H HIS A 40 9.348 -0.335 -20.471 1.00 0.00 H new ATOM 0 HA HIS A 40 6.791 0.163 -19.099 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.534 -0.821 -18.370 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.593 -0.017 -17.130 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.229 -3.470 -17.769 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.022 -3.487 -17.229 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.118 -4.928 -17.301 1.00 0.00 H new ATOM 623 N ILE A 41 9.473 2.082 -18.736 1.00 0.00 N ATOM 624 CA ILE A 41 9.920 3.445 -18.494 1.00 0.00 C ATOM 625 C ILE A 41 9.939 4.229 -19.808 1.00 0.00 C ATOM 626 O ILE A 41 10.117 3.656 -20.881 1.00 0.00 O ATOM 627 CB ILE A 41 11.320 3.476 -17.828 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.258 2.874 -16.420 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.861 4.899 -17.757 1.00 0.00 C ATOM 630 CD1 ILE A 41 10.860 1.415 -16.392 1.00 0.00 C ATOM 0 H ILE A 41 10.227 1.399 -18.811 1.00 0.00 H new ATOM 0 HA ILE A 41 9.217 3.913 -17.805 1.00 0.00 H new ATOM 0 HB ILE A 41 11.994 2.879 -18.442 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.233 2.983 -15.946 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.548 3.445 -15.823 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.844 4.892 -17.286 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.945 5.307 -18.764 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.182 5.518 -17.170 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.839 1.063 -15.361 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.871 1.299 -16.835 1.00 0.00 H new ATOM 0 HD13 ILE A 41 11.583 0.830 -16.960 1.00 0.00 H new ATOM 642 N ALA A 42 9.728 5.535 -19.711 1.00 0.00 N ATOM 643 CA ALA A 42 9.700 6.396 -20.896 1.00 0.00 C ATOM 644 C ALA A 42 10.376 7.742 -20.636 1.00 0.00 C ATOM 645 O ALA A 42 10.749 8.057 -19.506 1.00 0.00 O ATOM 646 CB ALA A 42 8.263 6.611 -21.345 1.00 0.00 C ATOM 0 H ALA A 42 9.574 6.024 -18.829 1.00 0.00 H new ATOM 0 HA ALA A 42 10.259 5.894 -21.686 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.249 7.252 -22.226 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.810 5.650 -21.588 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.698 7.085 -20.543 1.00 0.00 H new ATOM 652 N ASN A 43 10.550 8.520 -21.704 1.00 0.00 N ATOM 653 CA ASN A 43 11.197 9.829 -21.618 1.00 0.00 C ATOM 654 C ASN A 43 10.211 10.959 -21.920 1.00 0.00 C ATOM 655 O ASN A 43 9.760 11.112 -23.055 1.00 0.00 O ATOM 656 CB ASN A 43 12.373 9.883 -22.595 1.00 0.00 C ATOM 657 CG ASN A 43 13.068 11.229 -22.610 1.00 0.00 C ATOM 658 OD1 ASN A 43 13.805 11.569 -21.685 1.00 0.00 O ATOM 659 ND2 ASN A 43 12.836 12.002 -23.665 1.00 0.00 N ATOM 0 H ASN A 43 10.250 8.264 -22.645 1.00 0.00 H new ATOM 0 HA ASN A 43 11.559 9.967 -20.599 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.095 9.110 -22.330 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.015 9.654 -23.599 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.277 12.919 -23.732 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.217 11.678 -24.408 1.00 0.00 H new ATOM 666 N ILE A 44 9.884 11.750 -20.901 1.00 0.00 N ATOM 667 CA ILE A 44 8.957 12.867 -21.064 1.00 0.00 C ATOM 668 C ILE A 44 9.674 14.211 -20.891 1.00 0.00 C ATOM 669 O ILE A 44 9.742 14.754 -19.789 1.00 0.00 O ATOM 670 CB ILE A 44 7.784 12.759 -20.059 1.00 0.00 C ATOM 671 CG1 ILE A 44 6.919 11.540 -20.389 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.933 14.024 -20.066 1.00 0.00 C ATOM 673 CD1 ILE A 44 7.606 10.218 -20.131 1.00 0.00 C ATOM 0 H ILE A 44 10.247 11.638 -19.954 1.00 0.00 H new ATOM 0 HA ILE A 44 8.557 12.818 -22.077 1.00 0.00 H new ATOM 0 HB ILE A 44 8.204 12.641 -19.060 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.004 11.585 -19.799 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.625 11.588 -21.437 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.118 13.918 -19.350 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.550 14.879 -19.789 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.522 14.181 -21.063 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.932 9.401 -20.388 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.507 10.151 -20.741 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.876 10.148 -19.077 1.00 0.00 H new ATOM 685 N ASP A 45 10.198 14.745 -21.996 1.00 0.00 N ATOM 686 CA ASP A 45 10.900 16.032 -21.984 1.00 0.00 C ATOM 687 C ASP A 45 12.213 15.959 -21.205 1.00 0.00 C ATOM 688 O ASP A 45 12.586 16.907 -20.512 1.00 0.00 O ATOM 689 CB ASP A 45 10.003 17.119 -21.385 1.00 0.00 C ATOM 690 CG ASP A 45 10.476 18.519 -21.729 1.00 0.00 C ATOM 691 OD1 ASP A 45 11.631 18.663 -22.181 1.00 0.00 O ATOM 692 OD2 ASP A 45 9.690 19.471 -21.544 1.00 0.00 O ATOM 0 H ASP A 45 10.150 14.305 -22.915 1.00 0.00 H new ATOM 0 HA ASP A 45 11.138 16.282 -23.018 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.984 16.984 -21.747 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.974 17.005 -20.301 1.00 0.00 H new ATOM 697 N GLY A 46 12.920 14.841 -21.332 1.00 0.00 N ATOM 698 CA GLY A 46 14.187 14.689 -20.641 1.00 0.00 C ATOM 699 C GLY A 46 14.034 14.182 -19.218 1.00 0.00 C ATOM 700 O GLY A 46 15.028 14.017 -18.510 1.00 0.00 O ATOM 0 H GLY A 46 12.640 14.040 -21.899 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.818 13.998 -21.200 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.702 15.649 -20.624 1.00 0.00 H new ATOM 704 N THR A 47 12.798 13.928 -18.792 1.00 0.00 N ATOM 705 CA THR A 47 12.546 13.433 -17.443 1.00 0.00 C ATOM 706 C THR A 47 12.011 12.005 -17.480 1.00 0.00 C ATOM 707 O THR A 47 11.180 11.662 -18.321 1.00 0.00 O ATOM 708 CB THR A 47 11.549 14.337 -16.718 1.00 0.00 C ATOM 709 OG1 THR A 47 11.831 15.702 -16.970 1.00 0.00 O ATOM 710 CG2 THR A 47 11.544 14.135 -15.219 1.00 0.00 C ATOM 0 H THR A 47 11.960 14.056 -19.359 1.00 0.00 H new ATOM 0 HA THR A 47 13.492 13.439 -16.902 1.00 0.00 H new ATOM 0 HB THR A 47 10.570 14.061 -17.109 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.180 16.263 -16.498 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.815 14.806 -14.764 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.278 13.103 -14.992 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.535 14.351 -14.819 1.00 0.00 H new ATOM 718 N LEU A 48 12.533 11.171 -16.592 1.00 0.00 N ATOM 719 CA LEU A 48 12.154 9.764 -16.549 1.00 0.00 C ATOM 720 C LEU A 48 10.795 9.544 -15.890 1.00 0.00 C ATOM 721 O LEU A 48 10.593 9.839 -14.712 1.00 0.00 O ATOM 722 CB LEU A 48 13.220 8.965 -15.803 1.00 0.00 C ATOM 723 CG LEU A 48 14.457 8.610 -16.627 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.609 8.222 -15.714 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.137 7.485 -17.598 1.00 0.00 C ATOM 0 H LEU A 48 13.221 11.444 -15.890 1.00 0.00 H new ATOM 0 HA LEU A 48 12.076 9.419 -17.580 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.535 9.536 -14.930 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.770 8.043 -15.435 1.00 0.00 H new ATOM 0 HG LEU A 48 14.758 9.486 -17.202 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.482 7.972 -16.316 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.849 9.057 -15.056 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.323 7.358 -15.114 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.027 7.242 -18.179 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.815 6.605 -17.042 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.340 7.801 -18.271 1.00 0.00 H new ATOM 737 N LYS A 49 9.876 9.004 -16.689 1.00 0.00 N ATOM 738 CA LYS A 49 8.519 8.702 -16.254 1.00 0.00 C ATOM 739 C LYS A 49 8.081 7.361 -16.840 1.00 0.00 C ATOM 740 O LYS A 49 8.693 6.866 -17.783 1.00 0.00 O ATOM 741 CB LYS A 49 7.554 9.808 -16.680 1.00 0.00 C ATOM 742 CG LYS A 49 8.115 11.207 -16.489 1.00 0.00 C ATOM 743 CD LYS A 49 7.007 12.241 -16.380 1.00 0.00 C ATOM 744 CE LYS A 49 7.571 13.636 -16.167 1.00 0.00 C ATOM 745 NZ LYS A 49 6.528 14.687 -16.321 1.00 0.00 N ATOM 0 H LYS A 49 10.057 8.763 -17.664 1.00 0.00 H new ATOM 0 HA LYS A 49 8.504 8.642 -15.166 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.295 9.669 -17.730 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.631 9.714 -16.108 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.729 11.234 -15.589 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.766 11.457 -17.327 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.402 12.226 -17.287 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.347 11.983 -15.552 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.009 13.702 -15.171 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.375 13.815 -16.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.954 15.624 -16.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.128 14.641 -17.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.773 14.532 -15.623 1.00 0.00 H new ATOM 759 N TRP A 50 7.031 6.772 -16.282 1.00 0.00 N ATOM 760 CA TRP A 50 6.543 5.479 -16.764 1.00 0.00 C ATOM 761 C TRP A 50 5.533 5.639 -17.908 1.00 0.00 C ATOM 762 O TRP A 50 4.550 6.369 -17.783 1.00 0.00 O ATOM 763 CB TRP A 50 5.912 4.696 -15.610 1.00 0.00 C ATOM 764 CG TRP A 50 6.933 4.095 -14.693 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.688 2.984 -14.931 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.321 4.574 -13.398 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.524 2.745 -13.869 1.00 0.00 N ATOM 768 CE2 TRP A 50 8.316 3.705 -12.915 1.00 0.00 C ATOM 769 CE3 TRP A 50 6.928 5.652 -12.601 1.00 0.00 C ATOM 770 CZ2 TRP A 50 8.919 3.880 -11.674 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.529 5.823 -11.369 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.515 4.941 -10.916 1.00 0.00 C ATOM 0 H TRP A 50 6.502 7.162 -15.502 1.00 0.00 H new ATOM 0 HA TRP A 50 7.397 4.927 -17.155 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.262 5.359 -15.039 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.282 3.904 -16.015 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.636 2.380 -15.825 1.00 0.00 H new ATOM 0 HE1 TRP A 50 9.192 1.977 -13.801 1.00 0.00 H new ATOM 0 HE3 TRP A 50 6.168 6.339 -12.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.681 3.200 -11.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.232 6.653 -10.745 1.00 0.00 H new ATOM 0 HH2 TRP A 50 8.966 5.102 -9.948 1.00 0.00 H new ATOM 783 N GLN A 51 5.790 4.949 -19.024 1.00 0.00 N ATOM 784 CA GLN A 51 4.914 5.009 -20.200 1.00 0.00 C ATOM 785 C GLN A 51 5.355 3.992 -21.255 1.00 0.00 C ATOM 786 O GLN A 51 6.503 3.550 -21.251 1.00 0.00 O ATOM 787 CB GLN A 51 4.939 6.412 -20.810 1.00 0.00 C ATOM 788 CG GLN A 51 3.885 7.346 -20.246 1.00 0.00 C ATOM 789 CD GLN A 51 2.993 7.939 -21.321 1.00 0.00 C ATOM 790 OE1 GLN A 51 1.807 7.621 -21.405 1.00 0.00 O ATOM 791 NE2 GLN A 51 3.562 8.805 -22.151 1.00 0.00 N ATOM 0 H GLN A 51 6.600 4.340 -19.138 1.00 0.00 H new ATOM 0 HA GLN A 51 3.900 4.771 -19.877 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.924 6.851 -20.648 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.800 6.331 -21.888 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.270 6.803 -19.528 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.375 8.152 -19.700 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.549 9.040 -22.045 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.012 9.235 -22.895 1.00 0.00 H new ATOM 800 N PRO A 52 4.452 3.606 -22.183 1.00 0.00 N ATOM 801 CA PRO A 52 4.779 2.639 -23.232 1.00 0.00 C ATOM 802 C PRO A 52 5.605 3.261 -24.348 1.00 0.00 C ATOM 803 O PRO A 52 5.196 3.294 -25.509 1.00 0.00 O ATOM 804 CB PRO A 52 3.416 2.193 -23.745 1.00 0.00 C ATOM 805 CG PRO A 52 2.512 3.354 -23.494 1.00 0.00 C ATOM 806 CD PRO A 52 3.057 4.078 -22.284 1.00 0.00 C ATOM 0 HA PRO A 52 5.388 1.816 -22.857 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.455 1.945 -24.806 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.069 1.302 -23.222 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.483 4.016 -24.360 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.491 3.017 -23.316 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.010 5.160 -22.411 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.488 3.838 -21.386 1.00 0.00 H new ATOM 814 N SER A 53 6.782 3.735 -23.971 1.00 0.00 N ATOM 815 CA SER A 53 7.719 4.350 -24.897 1.00 0.00 C ATOM 816 C SER A 53 9.121 4.243 -24.312 1.00 0.00 C ATOM 817 O SER A 53 9.314 4.465 -23.118 1.00 0.00 O ATOM 818 CB SER A 53 7.348 5.814 -25.151 1.00 0.00 C ATOM 819 OG SER A 53 6.917 6.447 -23.959 1.00 0.00 O ATOM 0 H SER A 53 7.116 3.703 -23.008 1.00 0.00 H new ATOM 0 HA SER A 53 7.681 3.832 -25.855 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.209 6.345 -25.557 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.558 5.867 -25.900 1.00 0.00 H new ATOM 0 HG SER A 53 6.688 7.381 -24.149 1.00 0.00 H new ATOM 825 N ASN A 54 10.091 3.865 -25.134 1.00 0.00 N ATOM 826 CA ASN A 54 11.464 3.696 -24.652 1.00 0.00 C ATOM 827 C ASN A 54 12.216 5.018 -24.587 1.00 0.00 C ATOM 828 O ASN A 54 12.573 5.600 -25.611 1.00 0.00 O ATOM 829 CB ASN A 54 12.246 2.703 -25.526 1.00 0.00 C ATOM 830 CG ASN A 54 11.361 1.729 -26.287 1.00 0.00 C ATOM 831 OD1 ASN A 54 10.287 1.346 -25.822 1.00 0.00 O ATOM 832 ND2 ASN A 54 11.817 1.322 -27.466 1.00 0.00 N ATOM 0 H ASN A 54 9.960 3.671 -26.127 1.00 0.00 H new ATOM 0 HA ASN A 54 11.386 3.297 -23.641 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.854 3.261 -26.239 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.932 2.139 -24.894 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.271 0.666 -28.025 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.713 1.665 -27.813 1.00 0.00 H new ATOM 839 N PHE A 55 12.474 5.467 -23.362 1.00 0.00 N ATOM 840 CA PHE A 55 13.208 6.703 -23.122 1.00 0.00 C ATOM 841 C PHE A 55 14.463 6.777 -23.996 1.00 0.00 C ATOM 842 O PHE A 55 14.911 7.858 -24.375 1.00 0.00 O ATOM 843 CB PHE A 55 13.592 6.794 -21.641 1.00 0.00 C ATOM 844 CG PHE A 55 14.311 5.575 -21.127 1.00 0.00 C ATOM 845 CD1 PHE A 55 13.604 4.511 -20.589 1.00 0.00 C ATOM 846 CD2 PHE A 55 15.693 5.492 -21.188 1.00 0.00 C ATOM 847 CE1 PHE A 55 14.261 3.388 -20.123 1.00 0.00 C ATOM 848 CE2 PHE A 55 16.356 4.371 -20.723 1.00 0.00 C ATOM 849 CZ PHE A 55 15.638 3.318 -20.190 1.00 0.00 C ATOM 0 H PHE A 55 12.181 4.986 -22.512 1.00 0.00 H new ATOM 0 HA PHE A 55 12.565 7.543 -23.384 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.225 7.669 -21.492 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.690 6.949 -21.050 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.527 4.560 -20.533 1.00 0.00 H new ATOM 0 HD2 PHE A 55 16.259 6.313 -21.604 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.698 2.566 -19.707 1.00 0.00 H new ATOM 0 HE2 PHE A 55 17.433 4.319 -20.776 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.153 2.441 -19.826 1.00 0.00 H new ATOM 859 N SER A 56 15.023 5.609 -24.308 1.00 0.00 N ATOM 860 CA SER A 56 16.238 5.508 -25.118 1.00 0.00 C ATOM 861 C SER A 56 16.159 6.308 -26.423 1.00 0.00 C ATOM 862 O SER A 56 17.185 6.571 -27.049 1.00 0.00 O ATOM 863 CB SER A 56 16.539 4.042 -25.433 1.00 0.00 C ATOM 864 OG SER A 56 15.691 3.554 -26.457 1.00 0.00 O ATOM 0 H SER A 56 14.649 4.709 -24.008 1.00 0.00 H new ATOM 0 HA SER A 56 17.044 5.941 -24.525 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.580 3.939 -25.739 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.411 3.440 -24.533 1.00 0.00 H new ATOM 0 HG SER A 56 15.906 2.615 -26.640 1.00 0.00 H new ATOM 870 N GLN A 57 14.953 6.688 -26.841 1.00 0.00 N ATOM 871 CA GLN A 57 14.792 7.440 -28.082 1.00 0.00 C ATOM 872 C GLN A 57 15.531 8.776 -28.008 1.00 0.00 C ATOM 873 O GLN A 57 15.997 9.292 -29.025 1.00 0.00 O ATOM 874 CB GLN A 57 13.307 7.677 -28.379 1.00 0.00 C ATOM 875 CG GLN A 57 12.530 6.406 -28.690 1.00 0.00 C ATOM 876 CD GLN A 57 12.302 6.207 -30.178 1.00 0.00 C ATOM 877 OE1 GLN A 57 13.115 6.623 -31.003 1.00 0.00 O ATOM 878 NE2 GLN A 57 11.191 5.568 -30.528 1.00 0.00 N ATOM 0 H GLN A 57 14.084 6.490 -26.345 1.00 0.00 H new ATOM 0 HA GLN A 57 15.223 6.850 -28.891 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.849 8.170 -27.522 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.220 8.360 -29.224 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.071 5.548 -28.292 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.567 6.440 -28.181 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.544 5.240 -29.811 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.985 5.406 -31.514 1.00 0.00 H new ATOM 887 N THR A 58 15.653 9.324 -26.801 1.00 0.00 N ATOM 888 CA THR A 58 16.355 10.593 -26.608 1.00 0.00 C ATOM 889 C THR A 58 17.394 10.495 -25.492 1.00 0.00 C ATOM 890 O THR A 58 18.053 11.482 -25.168 1.00 0.00 O ATOM 891 CB THR A 58 15.374 11.714 -26.255 1.00 0.00 C ATOM 892 OG1 THR A 58 15.035 11.660 -24.881 1.00 0.00 O ATOM 893 CG2 THR A 58 14.082 11.673 -27.038 1.00 0.00 C ATOM 0 H THR A 58 15.278 8.913 -25.946 1.00 0.00 H new ATOM 0 HA THR A 58 16.855 10.819 -27.550 1.00 0.00 H new ATOM 0 HB THR A 58 15.898 12.635 -26.511 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.132 12.551 -24.485 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.443 12.500 -26.729 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.299 11.761 -28.103 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.571 10.729 -26.848 1.00 0.00 H new ATOM 901 N CYS A 59 17.524 9.319 -24.883 1.00 0.00 N ATOM 902 CA CYS A 59 18.469 9.144 -23.787 1.00 0.00 C ATOM 903 C CYS A 59 19.640 8.250 -24.178 1.00 0.00 C ATOM 904 O CYS A 59 19.507 7.346 -25.004 1.00 0.00 O ATOM 905 CB CYS A 59 17.757 8.560 -22.565 1.00 0.00 C ATOM 906 SG CYS A 59 16.142 9.325 -22.206 1.00 0.00 S ATOM 0 H CYS A 59 16.993 8.483 -25.127 1.00 0.00 H new ATOM 0 HA CYS A 59 18.870 10.128 -23.544 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.614 7.490 -22.718 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.402 8.674 -21.694 1.00 0.00 H new ATOM 911 N TYR A 60 20.797 8.535 -23.583 1.00 0.00 N ATOM 912 CA TYR A 60 22.024 7.785 -23.845 1.00 0.00 C ATOM 913 C TYR A 60 22.817 7.613 -22.553 1.00 0.00 C ATOM 914 O TYR A 60 22.635 8.371 -21.599 1.00 0.00 O ATOM 915 CB TYR A 60 22.885 8.507 -24.883 1.00 0.00 C ATOM 916 CG TYR A 60 23.291 9.902 -24.463 1.00 0.00 C ATOM 917 CD1 TYR A 60 22.342 10.904 -24.310 1.00 0.00 C ATOM 918 CD2 TYR A 60 24.621 10.215 -24.215 1.00 0.00 C ATOM 919 CE1 TYR A 60 22.708 12.179 -23.923 1.00 0.00 C ATOM 920 CE2 TYR A 60 24.995 11.488 -23.828 1.00 0.00 C ATOM 921 CZ TYR A 60 24.034 12.466 -23.684 1.00 0.00 C ATOM 922 OH TYR A 60 24.402 13.735 -23.299 1.00 0.00 O ATOM 0 H TYR A 60 20.910 9.291 -22.907 1.00 0.00 H new ATOM 0 HA TYR A 60 21.751 6.805 -24.236 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.782 7.918 -25.073 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.336 8.564 -25.823 1.00 0.00 H new ATOM 0 HD1 TYR A 60 21.301 10.683 -24.496 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.376 9.451 -24.326 1.00 0.00 H new ATOM 0 HE1 TYR A 60 21.958 12.947 -23.808 1.00 0.00 H new ATOM 0 HE2 TYR A 60 26.034 11.715 -23.640 1.00 0.00 H new ATOM 0 HH TYR A 60 23.916 14.394 -23.837 1.00 0.00 H new ATOM 932 N ASN A 61 23.679 6.601 -22.518 1.00 0.00 N ATOM 933 CA ASN A 61 24.485 6.325 -21.334 1.00 0.00 C ATOM 934 C ASN A 61 23.600 5.945 -20.150 1.00 0.00 C ATOM 935 O ASN A 61 23.787 6.437 -19.037 1.00 0.00 O ATOM 936 CB ASN A 61 25.350 7.538 -20.973 1.00 0.00 C ATOM 937 CG ASN A 61 26.610 7.637 -21.815 1.00 0.00 C ATOM 938 OD1 ASN A 61 27.718 7.709 -21.283 1.00 0.00 O ATOM 939 ND2 ASN A 61 26.451 7.642 -23.133 1.00 0.00 N ATOM 0 H ASN A 61 23.837 5.959 -23.295 1.00 0.00 H new ATOM 0 HA ASN A 61 25.139 5.483 -21.564 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.762 8.447 -21.099 1.00 0.00 H new ATOM 0 HB3 ASN A 61 25.626 7.480 -19.920 1.00 0.00 H new ATOM 0 HD21 ASN A 61 27.265 7.707 -23.745 1.00 0.00 H new ATOM 0 HD22 ASN A 61 25.515 7.581 -23.534 1.00 0.00 H new ATOM 946 N SER A 62 22.633 5.068 -20.400 1.00 0.00 N ATOM 947 CA SER A 62 21.723 4.616 -19.354 1.00 0.00 C ATOM 948 C SER A 62 22.462 3.749 -18.341 1.00 0.00 C ATOM 949 O SER A 62 23.278 2.905 -18.710 1.00 0.00 O ATOM 950 CB SER A 62 20.555 3.840 -19.967 1.00 0.00 C ATOM 951 OG SER A 62 19.706 4.697 -20.712 1.00 0.00 O ATOM 0 H SER A 62 22.460 4.657 -21.317 1.00 0.00 H new ATOM 0 HA SER A 62 21.328 5.490 -18.836 1.00 0.00 H new ATOM 0 HB2 SER A 62 20.939 3.051 -20.614 1.00 0.00 H new ATOM 0 HB3 SER A 62 19.983 3.354 -19.177 1.00 0.00 H new ATOM 0 HG SER A 62 19.420 4.242 -21.532 1.00 0.00 H new ATOM 957 N ALA A 63 22.179 3.972 -17.060 1.00 0.00 N ATOM 958 CA ALA A 63 22.829 3.216 -15.991 1.00 0.00 C ATOM 959 C ALA A 63 21.878 2.929 -14.831 1.00 0.00 C ATOM 960 O ALA A 63 20.936 3.682 -14.586 1.00 0.00 O ATOM 961 CB ALA A 63 24.046 3.976 -15.490 1.00 0.00 C ATOM 0 H ALA A 63 21.506 4.667 -16.737 1.00 0.00 H new ATOM 0 HA ALA A 63 23.138 2.256 -16.405 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.527 3.408 -14.693 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.750 4.118 -16.310 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.736 4.948 -15.106 1.00 0.00 H new ATOM 967 N ILE A 64 22.130 1.831 -14.119 1.00 0.00 N ATOM 968 CA ILE A 64 21.291 1.452 -12.990 1.00 0.00 C ATOM 969 C ILE A 64 22.112 1.121 -11.745 1.00 0.00 C ATOM 970 O ILE A 64 23.161 0.481 -11.822 1.00 0.00 O ATOM 971 CB ILE A 64 20.382 0.262 -13.357 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.353 0.732 -14.385 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.687 -0.307 -12.122 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.341 -0.316 -14.764 1.00 0.00 C ATOM 0 H ILE A 64 22.904 1.194 -14.305 1.00 0.00 H new ATOM 0 HA ILE A 64 20.670 2.316 -12.755 1.00 0.00 H new ATOM 0 HB ILE A 64 20.991 -0.537 -13.780 1.00 0.00 H new ATOM 0 HG12 ILE A 64 18.829 1.601 -13.988 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.876 1.059 -15.284 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.054 -1.144 -12.414 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.436 -0.650 -11.409 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.074 0.467 -11.660 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.647 0.096 -15.497 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.853 -1.178 -15.193 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.789 -0.627 -13.877 1.00 0.00 H new ATOM 986 N GLN A 65 21.601 1.556 -10.597 1.00 0.00 N ATOM 987 CA GLN A 65 22.245 1.315 -9.311 1.00 0.00 C ATOM 988 C GLN A 65 21.189 0.935 -8.284 1.00 0.00 C ATOM 989 O GLN A 65 20.357 1.759 -7.903 1.00 0.00 O ATOM 990 CB GLN A 65 23.005 2.558 -8.846 1.00 0.00 C ATOM 991 CG GLN A 65 24.257 2.845 -9.656 1.00 0.00 C ATOM 992 CD GLN A 65 24.650 4.309 -9.620 1.00 0.00 C ATOM 993 OE1 GLN A 65 24.037 5.111 -8.916 1.00 0.00 O ATOM 994 NE2 GLN A 65 25.678 4.663 -10.382 1.00 0.00 N ATOM 0 H GLN A 65 20.731 2.084 -10.533 1.00 0.00 H new ATOM 0 HA GLN A 65 22.960 0.500 -9.420 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.341 3.421 -8.901 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.281 2.434 -7.799 1.00 0.00 H new ATOM 0 HG2 GLN A 65 25.080 2.242 -9.272 1.00 0.00 H new ATOM 0 HG3 GLN A 65 24.094 2.541 -10.690 1.00 0.00 H new ATOM 0 HE21 GLN A 65 26.157 3.964 -10.950 1.00 0.00 H new ATOM 0 HE22 GLN A 65 25.989 5.634 -10.400 1.00 0.00 H new ATOM 1003 N GLY A 66 21.207 -0.321 -7.859 1.00 0.00 N ATOM 1004 CA GLY A 66 20.222 -0.785 -6.904 1.00 0.00 C ATOM 1005 C GLY A 66 18.833 -0.792 -7.510 1.00 0.00 C ATOM 1006 O GLY A 66 18.597 -1.463 -8.515 1.00 0.00 O ATOM 0 H GLY A 66 21.883 -1.024 -8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.481 -1.790 -6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.234 -0.143 -6.023 1.00 0.00 H new ATOM 1010 N SER A 67 17.906 -0.061 -6.901 1.00 0.00 N ATOM 1011 CA SER A 67 16.537 -0.013 -7.400 1.00 0.00 C ATOM 1012 C SER A 67 16.266 1.257 -8.209 1.00 0.00 C ATOM 1013 O SER A 67 15.171 1.428 -8.745 1.00 0.00 O ATOM 1014 CB SER A 67 15.551 -0.095 -6.233 1.00 0.00 C ATOM 1015 OG SER A 67 15.405 1.165 -5.602 1.00 0.00 O ATOM 0 H SER A 67 18.075 0.502 -6.068 1.00 0.00 H new ATOM 0 HA SER A 67 16.402 -0.868 -8.063 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.582 -0.439 -6.595 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.900 -0.830 -5.508 1.00 0.00 H new ATOM 0 HG SER A 67 15.042 1.039 -4.700 1.00 0.00 H new ATOM 1021 N VAL A 68 17.254 2.148 -8.298 1.00 0.00 N ATOM 1022 CA VAL A 68 17.083 3.395 -9.044 1.00 0.00 C ATOM 1023 C VAL A 68 17.781 3.360 -10.403 1.00 0.00 C ATOM 1024 O VAL A 68 18.903 2.868 -10.530 1.00 0.00 O ATOM 1025 CB VAL A 68 17.601 4.612 -8.253 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.097 5.903 -8.882 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.179 4.525 -6.794 1.00 0.00 C ATOM 0 H VAL A 68 18.172 2.032 -7.868 1.00 0.00 H new ATOM 0 HA VAL A 68 16.009 3.496 -9.202 1.00 0.00 H new ATOM 0 HB VAL A 68 18.690 4.610 -8.290 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.470 6.755 -8.313 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.452 5.970 -9.910 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.007 5.911 -8.873 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.555 5.394 -6.254 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.091 4.501 -6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.588 3.617 -6.350 1.00 0.00 H new ATOM 1037 N LEU A 69 17.102 3.891 -11.415 1.00 0.00 N ATOM 1038 CA LEU A 69 17.634 3.942 -12.771 1.00 0.00 C ATOM 1039 C LEU A 69 18.135 5.351 -13.101 1.00 0.00 C ATOM 1040 O LEU A 69 17.393 6.329 -12.983 1.00 0.00 O ATOM 1041 CB LEU A 69 16.545 3.501 -13.760 1.00 0.00 C ATOM 1042 CG LEU A 69 16.730 3.946 -15.215 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.094 3.533 -15.744 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.620 3.373 -16.085 1.00 0.00 C ATOM 0 H LEU A 69 16.171 4.296 -11.318 1.00 0.00 H new ATOM 0 HA LEU A 69 18.483 3.263 -12.852 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.485 2.413 -13.740 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.587 3.880 -13.405 1.00 0.00 H new ATOM 0 HG LEU A 69 16.675 5.034 -15.250 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.198 3.861 -16.778 1.00 0.00 H new ATOM 0 HD12 LEU A 69 18.874 3.993 -15.137 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.189 2.448 -15.697 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.762 3.696 -17.116 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.647 2.284 -16.039 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.655 3.728 -15.724 1.00 0.00 H new ATOM 1056 N THR A 70 19.400 5.453 -13.508 1.00 0.00 N ATOM 1057 CA THR A 70 19.998 6.740 -13.852 1.00 0.00 C ATOM 1058 C THR A 70 20.364 6.771 -15.334 1.00 0.00 C ATOM 1059 O THR A 70 21.048 5.877 -15.826 1.00 0.00 O ATOM 1060 CB THR A 70 21.252 6.978 -13.004 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.037 6.568 -11.665 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.697 8.425 -12.974 1.00 0.00 C ATOM 0 H THR A 70 20.030 4.657 -13.607 1.00 0.00 H new ATOM 0 HA THR A 70 19.273 7.529 -13.649 1.00 0.00 H new ATOM 0 HB THR A 70 22.034 6.387 -13.480 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.849 6.726 -11.140 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.590 8.518 -12.355 1.00 0.00 H new ATOM 0 HG22 THR A 70 21.921 8.758 -13.987 1.00 0.00 H new ATOM 0 HG23 THR A 70 20.901 9.042 -12.558 1.00 0.00 H new ATOM 1070 N SER A 71 19.893 7.788 -16.050 1.00 0.00 N ATOM 1071 CA SER A 71 20.170 7.901 -17.483 1.00 0.00 C ATOM 1072 C SER A 71 20.167 9.357 -17.944 1.00 0.00 C ATOM 1073 O SER A 71 19.501 10.201 -17.347 1.00 0.00 O ATOM 1074 CB SER A 71 19.153 7.090 -18.286 1.00 0.00 C ATOM 1075 OG SER A 71 19.126 7.503 -19.642 1.00 0.00 O ATOM 0 H SER A 71 19.322 8.542 -15.667 1.00 0.00 H new ATOM 0 HA SER A 71 21.167 7.498 -17.660 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.403 6.031 -18.230 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.162 7.207 -17.847 1.00 0.00 H new ATOM 0 HG SER A 71 19.282 6.729 -20.223 1.00 0.00 H new ATOM 1081 N THR A 72 20.900 9.644 -19.021 1.00 0.00 N ATOM 1082 CA THR A 72 20.953 10.996 -19.568 1.00 0.00 C ATOM 1083 C THR A 72 19.932 11.142 -20.694 1.00 0.00 C ATOM 1084 O THR A 72 19.906 10.334 -21.622 1.00 0.00 O ATOM 1085 CB THR A 72 22.360 11.309 -20.084 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.340 10.908 -19.142 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.579 12.777 -20.378 1.00 0.00 C ATOM 0 H THR A 72 21.462 8.960 -19.528 1.00 0.00 H new ATOM 0 HA THR A 72 20.711 11.705 -18.776 1.00 0.00 H new ATOM 0 HB THR A 72 22.456 10.752 -21.016 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.232 11.115 -19.490 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.596 12.928 -20.740 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.871 13.105 -21.139 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.428 13.357 -19.468 1.00 0.00 H new ATOM 1095 N CYS A 73 19.069 12.152 -20.598 1.00 0.00 N ATOM 1096 CA CYS A 73 18.031 12.351 -21.607 1.00 0.00 C ATOM 1097 C CYS A 73 18.019 13.761 -22.182 1.00 0.00 C ATOM 1098 O CYS A 73 18.265 14.741 -21.479 1.00 0.00 O ATOM 1099 CB CYS A 73 16.661 12.050 -21.006 1.00 0.00 C ATOM 1100 SG CYS A 73 16.450 10.325 -20.469 1.00 0.00 S ATOM 0 H CYS A 73 19.067 12.837 -19.842 1.00 0.00 H new ATOM 0 HA CYS A 73 18.257 11.666 -22.424 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.498 12.708 -20.152 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.893 12.287 -21.742 1.00 0.00 H new ATOM 1105 N GLU A 74 17.671 13.846 -23.464 1.00 0.00 N ATOM 1106 CA GLU A 74 17.569 15.126 -24.155 1.00 0.00 C ATOM 1107 C GLU A 74 16.291 15.857 -23.748 1.00 0.00 C ATOM 1108 O GLU A 74 15.226 15.247 -23.651 1.00 0.00 O ATOM 1109 CB GLU A 74 17.589 14.921 -25.672 1.00 0.00 C ATOM 1110 CG GLU A 74 17.666 16.221 -26.457 1.00 0.00 C ATOM 1111 CD GLU A 74 16.972 16.134 -27.801 1.00 0.00 C ATOM 1112 OE1 GLU A 74 17.059 15.070 -28.448 1.00 0.00 O ATOM 1113 OE2 GLU A 74 16.340 17.132 -28.207 1.00 0.00 O ATOM 0 H GLU A 74 17.454 13.038 -24.047 1.00 0.00 H new ATOM 0 HA GLU A 74 18.428 15.734 -23.869 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.442 14.295 -25.935 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.692 14.378 -25.970 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.215 17.022 -25.871 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.712 16.487 -26.609 1.00 0.00 H new ATOM 1120 N ARG A 75 16.396 17.160 -23.515 1.00 0.00 N ATOM 1121 CA ARG A 75 15.238 17.958 -23.126 1.00 0.00 C ATOM 1122 C ARG A 75 14.564 18.562 -24.356 1.00 0.00 C ATOM 1123 O ARG A 75 15.227 18.890 -25.339 1.00 0.00 O ATOM 1124 CB ARG A 75 15.659 19.067 -22.162 1.00 0.00 C ATOM 1125 CG ARG A 75 16.631 18.603 -21.088 1.00 0.00 C ATOM 1126 CD ARG A 75 17.025 19.744 -20.164 1.00 0.00 C ATOM 1127 NE ARG A 75 17.564 20.885 -20.901 1.00 0.00 N ATOM 1128 CZ ARG A 75 18.813 20.951 -21.357 1.00 0.00 C ATOM 1129 NH1 ARG A 75 19.652 19.940 -21.166 1.00 0.00 N ATOM 1130 NH2 ARG A 75 19.224 22.029 -22.009 1.00 0.00 N ATOM 0 H ARG A 75 17.267 17.685 -23.588 1.00 0.00 H new ATOM 0 HA ARG A 75 14.524 17.305 -22.624 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.118 19.876 -22.730 1.00 0.00 H new ATOM 0 HB3 ARG A 75 14.770 19.478 -21.683 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.176 17.802 -20.505 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.523 18.189 -21.557 1.00 0.00 H new ATOM 0 HD2 ARG A 75 16.155 20.062 -19.589 1.00 0.00 H new ATOM 0 HD3 ARG A 75 17.768 19.391 -19.449 1.00 0.00 H new ATOM 0 HE ARG A 75 16.947 21.678 -21.076 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.341 19.106 -20.667 1.00 0.00 H new ATOM 0 HH12 ARG A 75 20.608 19.997 -21.518 1.00 0.00 H new ATOM 0 HH21 ARG A 75 18.583 22.808 -22.161 1.00 0.00 H new ATOM 0 HH22 ARG A 75 20.181 22.080 -22.358 1.00 0.00 H new ATOM 1144 N THR A 76 13.240 18.689 -24.305 1.00 0.00 N ATOM 1145 CA THR A 76 12.468 19.235 -25.420 1.00 0.00 C ATOM 1146 C THR A 76 13.020 20.581 -25.889 1.00 0.00 C ATOM 1147 O THR A 76 12.929 20.920 -27.069 1.00 0.00 O ATOM 1148 CB THR A 76 11.005 19.390 -24.998 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.502 18.171 -24.483 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.088 19.824 -26.122 1.00 0.00 C ATOM 0 H THR A 76 12.676 18.420 -23.499 1.00 0.00 H new ATOM 0 HA THR A 76 12.544 18.540 -26.256 1.00 0.00 H new ATOM 0 HB THR A 76 11.011 20.173 -24.240 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.562 18.285 -24.232 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.069 19.912 -25.746 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.417 20.789 -26.508 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.117 19.084 -26.922 1.00 0.00 H new ATOM 1158 N ASN A 77 13.587 21.346 -24.961 1.00 0.00 N ATOM 1159 CA ASN A 77 14.145 22.655 -25.287 1.00 0.00 C ATOM 1160 C ASN A 77 15.553 22.537 -25.877 1.00 0.00 C ATOM 1161 O ASN A 77 16.201 23.545 -26.161 1.00 0.00 O ATOM 1162 CB ASN A 77 14.177 23.536 -24.037 1.00 0.00 C ATOM 1163 CG ASN A 77 12.789 23.933 -23.575 1.00 0.00 C ATOM 1164 OD1 ASN A 77 11.793 23.635 -24.235 1.00 0.00 O ATOM 1165 ND2 ASN A 77 12.715 24.611 -22.435 1.00 0.00 N ATOM 0 H ASN A 77 13.672 21.083 -23.979 1.00 0.00 H new ATOM 0 HA ASN A 77 13.503 23.112 -26.040 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.686 23.004 -23.234 1.00 0.00 H new ATOM 0 HB3 ASN A 77 14.759 24.434 -24.243 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.807 24.906 -22.075 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.566 24.837 -21.920 1.00 0.00 H new ATOM 1172 N GLY A 78 16.024 21.306 -26.057 1.00 0.00 N ATOM 1173 CA GLY A 78 17.348 21.088 -26.606 1.00 0.00 C ATOM 1174 C GLY A 78 18.406 20.990 -25.532 1.00 0.00 C ATOM 1175 O GLY A 78 18.403 21.754 -24.567 1.00 0.00 O ATOM 0 H GLY A 78 15.510 20.455 -25.831 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.347 20.172 -27.197 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.597 21.904 -27.284 1.00 0.00 H new ATOM 1179 N GLY A 79 19.287 20.024 -25.691 1.00 0.00 N ATOM 1180 CA GLY A 79 20.338 19.794 -24.716 1.00 0.00 C ATOM 1181 C GLY A 79 20.196 18.429 -24.079 1.00 0.00 C ATOM 1182 O GLY A 79 19.353 17.643 -24.504 1.00 0.00 O ATOM 0 H GLY A 79 19.298 19.384 -26.485 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.312 19.874 -25.199 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.300 20.565 -23.946 1.00 0.00 H new ATOM 1186 N TYR A 80 21.013 18.136 -23.070 1.00 0.00 N ATOM 1187 CA TYR A 80 20.949 16.838 -22.398 1.00 0.00 C ATOM 1188 C TYR A 80 20.918 16.995 -20.883 1.00 0.00 C ATOM 1189 O TYR A 80 21.572 17.874 -20.321 1.00 0.00 O ATOM 1190 CB TYR A 80 22.142 15.970 -22.799 1.00 0.00 C ATOM 1191 CG TYR A 80 22.404 15.963 -24.285 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.688 15.126 -25.129 1.00 0.00 C ATOM 1193 CD2 TYR A 80 23.358 16.803 -24.845 1.00 0.00 C ATOM 1194 CE1 TYR A 80 21.914 15.125 -26.492 1.00 0.00 C ATOM 1195 CE2 TYR A 80 23.592 16.806 -26.206 1.00 0.00 C ATOM 1196 CZ TYR A 80 22.867 15.967 -27.025 1.00 0.00 C ATOM 1197 OH TYR A 80 23.095 15.971 -28.382 1.00 0.00 O ATOM 0 H TYR A 80 21.721 18.772 -22.702 1.00 0.00 H new ATOM 0 HA TYR A 80 20.025 16.352 -22.712 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.032 16.328 -22.282 1.00 0.00 H new ATOM 0 HB3 TYR A 80 21.968 14.948 -22.463 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.942 14.465 -24.714 1.00 0.00 H new ATOM 0 HD2 TYR A 80 23.925 17.464 -24.206 1.00 0.00 H new ATOM 0 HE1 TYR A 80 21.348 14.469 -27.136 1.00 0.00 H new ATOM 0 HE2 TYR A 80 24.339 17.462 -26.627 1.00 0.00 H new ATOM 0 HH TYR A 80 23.797 16.622 -28.594 1.00 0.00 H new ATOM 1207 N ASN A 81 20.153 16.127 -20.230 1.00 0.00 N ATOM 1208 CA ASN A 81 20.030 16.146 -18.780 1.00 0.00 C ATOM 1209 C ASN A 81 19.656 14.763 -18.261 1.00 0.00 C ATOM 1210 O ASN A 81 18.729 14.129 -18.763 1.00 0.00 O ATOM 1211 CB ASN A 81 18.987 17.171 -18.337 1.00 0.00 C ATOM 1212 CG ASN A 81 18.945 17.324 -16.830 1.00 0.00 C ATOM 1213 OD1 ASN A 81 18.904 16.337 -16.095 1.00 0.00 O ATOM 1214 ND2 ASN A 81 18.959 18.565 -16.360 1.00 0.00 N ATOM 0 H ASN A 81 19.606 15.397 -20.687 1.00 0.00 H new ATOM 0 HA ASN A 81 20.995 16.432 -18.361 1.00 0.00 H new ATOM 0 HB2 ASN A 81 19.210 18.135 -18.793 1.00 0.00 H new ATOM 0 HB3 ASN A 81 18.004 16.867 -18.698 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.935 18.729 -15.354 1.00 0.00 H new ATOM 0 HD22 ASN A 81 18.993 19.354 -17.005 1.00 0.00 H new ATOM 1221 N THR A 82 20.387 14.299 -17.257 1.00 0.00 N ATOM 1222 CA THR A 82 20.138 12.987 -16.670 1.00 0.00 C ATOM 1223 C THR A 82 19.189 13.087 -15.483 1.00 0.00 C ATOM 1224 O THR A 82 19.340 13.956 -14.625 1.00 0.00 O ATOM 1225 CB THR A 82 21.450 12.320 -16.254 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.203 11.227 -15.389 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.407 13.257 -15.550 1.00 0.00 C ATOM 0 H THR A 82 21.159 14.812 -16.830 1.00 0.00 H new ATOM 0 HA THR A 82 19.663 12.367 -17.430 1.00 0.00 H new ATOM 0 HB THR A 82 21.913 11.992 -17.185 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.538 10.632 -15.795 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.316 12.717 -15.284 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.658 14.086 -16.212 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.938 13.645 -14.646 1.00 0.00 H new ATOM 1235 N SER A 83 18.204 12.190 -15.443 1.00 0.00 N ATOM 1236 CA SER A 83 17.216 12.163 -14.371 1.00 0.00 C ATOM 1237 C SER A 83 17.267 10.824 -13.633 1.00 0.00 C ATOM 1238 O SER A 83 17.762 9.828 -14.166 1.00 0.00 O ATOM 1239 CB SER A 83 15.814 12.397 -14.940 1.00 0.00 C ATOM 1240 OG SER A 83 15.349 11.253 -15.635 1.00 0.00 O ATOM 0 H SER A 83 18.071 11.467 -16.150 1.00 0.00 H new ATOM 0 HA SER A 83 17.448 12.960 -13.664 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.125 12.640 -14.131 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.830 13.254 -15.613 1.00 0.00 H new ATOM 0 HG SER A 83 16.033 10.956 -16.271 1.00 0.00 H new ATOM 1246 N SER A 84 16.765 10.807 -12.402 1.00 0.00 N ATOM 1247 CA SER A 84 16.768 9.592 -11.599 1.00 0.00 C ATOM 1248 C SER A 84 15.355 9.210 -11.164 1.00 0.00 C ATOM 1249 O SER A 84 14.526 10.075 -10.885 1.00 0.00 O ATOM 1250 CB SER A 84 17.656 9.779 -10.368 1.00 0.00 C ATOM 1251 OG SER A 84 18.696 10.706 -10.627 1.00 0.00 O ATOM 0 H SER A 84 16.353 11.618 -11.941 1.00 0.00 H new ATOM 0 HA SER A 84 17.164 8.784 -12.215 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.053 10.129 -9.530 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.084 8.820 -10.075 1.00 0.00 H new ATOM 0 HG SER A 84 19.249 10.810 -9.825 1.00 0.00 H new ATOM 1257 N ILE A 85 15.091 7.904 -11.101 1.00 0.00 N ATOM 1258 CA ILE A 85 13.779 7.408 -10.693 1.00 0.00 C ATOM 1259 C ILE A 85 13.889 6.083 -9.935 1.00 0.00 C ATOM 1260 O ILE A 85 14.742 5.251 -10.246 1.00 0.00 O ATOM 1261 CB ILE A 85 12.849 7.221 -11.910 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.439 6.840 -11.453 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.413 6.171 -12.857 1.00 0.00 C ATOM 1264 CD1 ILE A 85 10.464 6.645 -12.594 1.00 0.00 C ATOM 0 H ILE A 85 15.767 7.174 -11.327 1.00 0.00 H new ATOM 0 HA ILE A 85 13.353 8.159 -10.028 1.00 0.00 H new ATOM 0 HB ILE A 85 12.789 8.167 -12.448 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.491 5.921 -10.870 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.059 7.617 -10.790 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.744 6.053 -13.709 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.395 6.488 -13.208 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.504 5.220 -12.333 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.486 6.377 -12.195 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.382 7.570 -13.165 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.821 5.847 -13.245 1.00 0.00 H new ATOM 1276 N ASP A 86 13.012 5.892 -8.949 1.00 0.00 N ATOM 1277 CA ASP A 86 12.996 4.665 -8.148 1.00 0.00 C ATOM 1278 C ASP A 86 11.929 3.700 -8.662 1.00 0.00 C ATOM 1279 O ASP A 86 10.743 4.027 -8.677 1.00 0.00 O ATOM 1280 CB ASP A 86 12.732 4.992 -6.678 1.00 0.00 C ATOM 1281 CG ASP A 86 12.860 3.771 -5.787 1.00 0.00 C ATOM 1282 OD1 ASP A 86 12.058 2.828 -5.953 1.00 0.00 O ATOM 1283 OD2 ASP A 86 13.765 3.758 -4.926 1.00 0.00 O ATOM 0 H ASP A 86 12.301 6.573 -8.684 1.00 0.00 H new ATOM 0 HA ASP A 86 13.972 4.189 -8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.434 5.757 -6.346 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.731 5.411 -6.575 1.00 0.00 H new ATOM 1288 N LEU A 87 12.358 2.520 -9.100 1.00 0.00 N ATOM 1289 CA LEU A 87 11.430 1.525 -9.641 1.00 0.00 C ATOM 1290 C LEU A 87 11.065 0.437 -8.626 1.00 0.00 C ATOM 1291 O LEU A 87 10.221 -0.411 -8.908 1.00 0.00 O ATOM 1292 CB LEU A 87 12.019 0.885 -10.896 1.00 0.00 C ATOM 1293 CG LEU A 87 12.770 1.846 -11.822 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.629 1.071 -12.808 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.796 2.754 -12.559 1.00 0.00 C ATOM 0 H LEU A 87 13.335 2.228 -9.092 1.00 0.00 H new ATOM 0 HA LEU A 87 10.510 2.055 -9.888 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.700 0.089 -10.594 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.212 0.417 -11.460 1.00 0.00 H new ATOM 0 HG LEU A 87 13.423 2.470 -11.212 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.156 1.769 -13.459 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.353 0.466 -12.262 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.995 0.421 -13.411 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.350 3.429 -13.211 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.116 2.148 -13.157 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.224 3.336 -11.837 1.00 0.00 H new ATOM 1307 N ASN A 88 11.709 0.437 -7.458 1.00 0.00 N ATOM 1308 CA ASN A 88 11.449 -0.585 -6.437 1.00 0.00 C ATOM 1309 C ASN A 88 9.951 -0.831 -6.247 1.00 0.00 C ATOM 1310 O ASN A 88 9.538 -1.930 -5.876 1.00 0.00 O ATOM 1311 CB ASN A 88 12.072 -0.152 -5.104 1.00 0.00 C ATOM 1312 CG ASN A 88 11.834 -1.149 -3.983 1.00 0.00 C ATOM 1313 OD1 ASN A 88 11.569 -0.766 -2.842 1.00 0.00 O ATOM 1314 ND2 ASN A 88 11.930 -2.435 -4.299 1.00 0.00 N ATOM 0 H ASN A 88 12.411 1.128 -7.194 1.00 0.00 H new ATOM 0 HA ASN A 88 11.900 -1.517 -6.776 1.00 0.00 H new ATOM 0 HB2 ASN A 88 13.145 -0.015 -5.239 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.661 0.815 -4.815 1.00 0.00 H new ATOM 0 HD21 ASN A 88 11.782 -3.148 -3.585 1.00 0.00 H new ATOM 0 HD22 ASN A 88 12.151 -2.710 -5.256 1.00 0.00 H new ATOM 1321 N SER A 89 9.143 0.191 -6.502 1.00 0.00 N ATOM 1322 CA SER A 89 7.697 0.072 -6.355 1.00 0.00 C ATOM 1323 C SER A 89 7.042 -0.613 -7.557 1.00 0.00 C ATOM 1324 O SER A 89 6.098 -1.387 -7.395 1.00 0.00 O ATOM 1325 CB SER A 89 7.072 1.451 -6.144 1.00 0.00 C ATOM 1326 OG SER A 89 7.231 1.883 -4.804 1.00 0.00 O ATOM 0 H SER A 89 9.463 1.109 -6.811 1.00 0.00 H new ATOM 0 HA SER A 89 7.516 -0.554 -5.481 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.535 2.171 -6.819 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.012 1.415 -6.395 1.00 0.00 H new ATOM 0 HG SER A 89 6.824 2.768 -4.695 1.00 0.00 H new ATOM 1332 N VAL A 90 7.512 -0.300 -8.761 1.00 0.00 N ATOM 1333 CA VAL A 90 6.929 -0.874 -9.970 1.00 0.00 C ATOM 1334 C VAL A 90 7.298 -2.347 -10.171 1.00 0.00 C ATOM 1335 O VAL A 90 6.419 -3.185 -10.376 1.00 0.00 O ATOM 1336 CB VAL A 90 7.293 -0.058 -11.235 1.00 0.00 C ATOM 1337 CG1 VAL A 90 7.136 1.430 -10.971 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.705 -0.359 -11.715 1.00 0.00 C ATOM 0 H VAL A 90 8.288 0.342 -8.925 1.00 0.00 H new ATOM 0 HA VAL A 90 5.850 -0.823 -9.822 1.00 0.00 H new ATOM 0 HB VAL A 90 6.603 -0.356 -12.025 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.396 1.988 -11.870 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.103 1.644 -10.697 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.796 1.727 -10.156 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.921 0.233 -12.604 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.418 -0.108 -10.929 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.789 -1.419 -11.956 1.00 0.00 H new ATOM 1348 N ILE A 91 8.587 -2.662 -10.133 1.00 0.00 N ATOM 1349 CA ILE A 91 9.032 -4.036 -10.332 1.00 0.00 C ATOM 1350 C ILE A 91 8.909 -4.851 -9.042 1.00 0.00 C ATOM 1351 O ILE A 91 9.049 -4.318 -7.941 1.00 0.00 O ATOM 1352 CB ILE A 91 10.482 -4.083 -10.875 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.552 -3.398 -12.249 1.00 0.00 C ATOM 1354 CG2 ILE A 91 10.978 -5.520 -10.973 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.246 -2.049 -12.227 1.00 0.00 C ATOM 0 H ILE A 91 9.337 -1.991 -9.968 1.00 0.00 H new ATOM 0 HA ILE A 91 8.378 -4.487 -11.079 1.00 0.00 H new ATOM 0 HB ILE A 91 11.129 -3.548 -10.179 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.075 -4.054 -12.945 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.540 -3.269 -12.632 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.998 -5.527 -11.357 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.959 -5.980 -9.985 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.333 -6.082 -11.648 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.256 -1.629 -13.233 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.711 -1.376 -11.557 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.270 -2.172 -11.875 1.00 0.00 H new ATOM 1367 N GLU A 92 8.622 -6.145 -9.192 1.00 0.00 N ATOM 1368 CA GLU A 92 8.446 -7.044 -8.052 1.00 0.00 C ATOM 1369 C GLU A 92 9.146 -8.373 -8.317 1.00 0.00 C ATOM 1370 O GLU A 92 9.520 -8.660 -9.453 1.00 0.00 O ATOM 1371 CB GLU A 92 6.952 -7.297 -7.822 1.00 0.00 C ATOM 1372 CG GLU A 92 6.598 -7.606 -6.376 1.00 0.00 C ATOM 1373 CD GLU A 92 5.143 -7.319 -6.056 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.730 -6.146 -6.167 1.00 0.00 O ATOM 1375 OE2 GLU A 92 4.417 -8.269 -5.693 1.00 0.00 O ATOM 0 H GLU A 92 8.506 -6.596 -10.100 1.00 0.00 H new ATOM 0 HA GLU A 92 8.882 -6.580 -7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.391 -6.420 -8.144 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.633 -8.129 -8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.811 -8.655 -6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.234 -7.016 -5.716 1.00 0.00 H new ATOM 1382 N ASN A 93 9.337 -9.184 -7.276 1.00 0.00 N ATOM 1383 CA ASN A 93 10.005 -10.472 -7.436 1.00 0.00 C ATOM 1384 C ASN A 93 9.000 -11.616 -7.344 1.00 0.00 C ATOM 1385 O ASN A 93 8.606 -12.031 -6.254 1.00 0.00 O ATOM 1386 CB ASN A 93 11.080 -10.642 -6.360 1.00 0.00 C ATOM 1387 CG ASN A 93 11.846 -11.944 -6.499 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.811 -12.592 -7.545 1.00 0.00 O ATOM 1389 ND2 ASN A 93 12.546 -12.333 -5.438 1.00 0.00 N ATOM 0 H ASN A 93 9.041 -8.973 -6.323 1.00 0.00 H new ATOM 0 HA ASN A 93 10.472 -10.496 -8.421 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.778 -9.807 -6.414 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.613 -10.603 -5.376 1.00 0.00 H new ATOM 0 HD21 ASN A 93 13.083 -13.200 -5.471 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.547 -11.765 -4.591 1.00 0.00 H new ATOM 1396 N VAL A 94 8.602 -12.125 -8.502 1.00 0.00 N ATOM 1397 CA VAL A 94 7.654 -13.231 -8.575 1.00 0.00 C ATOM 1398 C VAL A 94 8.373 -14.560 -8.795 1.00 0.00 C ATOM 1399 O VAL A 94 8.698 -14.914 -9.928 1.00 0.00 O ATOM 1400 CB VAL A 94 6.625 -13.011 -9.700 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.568 -14.104 -9.679 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.985 -11.636 -9.571 1.00 0.00 C ATOM 0 H VAL A 94 8.923 -11.788 -9.410 1.00 0.00 H new ATOM 0 HA VAL A 94 7.129 -13.267 -7.620 1.00 0.00 H new ATOM 0 HB VAL A 94 7.142 -13.059 -10.658 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.850 -13.931 -10.481 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.045 -15.074 -9.821 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.050 -14.091 -8.720 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.260 -11.495 -10.373 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.480 -11.559 -8.608 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.756 -10.868 -9.640 1.00 0.00 H new ATOM 1412 N ASP A 95 8.617 -15.299 -7.714 1.00 0.00 N ATOM 1413 CA ASP A 95 9.294 -16.593 -7.799 1.00 0.00 C ATOM 1414 C ASP A 95 10.616 -16.498 -8.558 1.00 0.00 C ATOM 1415 O ASP A 95 11.015 -17.442 -9.239 1.00 0.00 O ATOM 1416 CB ASP A 95 8.388 -17.631 -8.462 1.00 0.00 C ATOM 1417 CG ASP A 95 8.814 -19.052 -8.144 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.130 -19.327 -6.967 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.832 -19.888 -9.071 1.00 0.00 O ATOM 0 H ASP A 95 8.356 -15.024 -6.767 1.00 0.00 H new ATOM 0 HA ASP A 95 9.516 -16.906 -6.779 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.361 -17.479 -8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.399 -17.483 -9.542 1.00 0.00 H new ATOM 1424 N GLY A 96 11.296 -15.362 -8.431 1.00 0.00 N ATOM 1425 CA GLY A 96 12.577 -15.181 -9.103 1.00 0.00 C ATOM 1426 C GLY A 96 12.451 -14.517 -10.461 1.00 0.00 C ATOM 1427 O GLY A 96 13.273 -14.747 -11.348 1.00 0.00 O ATOM 0 H GLY A 96 10.986 -14.564 -7.877 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.230 -14.579 -8.471 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.057 -16.152 -9.224 1.00 0.00 H new ATOM 1431 N SER A 97 11.421 -13.694 -10.627 1.00 0.00 N ATOM 1432 CA SER A 97 11.196 -13.002 -11.891 1.00 0.00 C ATOM 1433 C SER A 97 10.697 -11.579 -11.659 1.00 0.00 C ATOM 1434 O SER A 97 9.802 -11.350 -10.845 1.00 0.00 O ATOM 1435 CB SER A 97 10.185 -13.772 -12.741 1.00 0.00 C ATOM 1436 OG SER A 97 10.017 -13.164 -14.010 1.00 0.00 O ATOM 0 H SER A 97 10.731 -13.490 -9.904 1.00 0.00 H new ATOM 0 HA SER A 97 12.148 -12.950 -12.419 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.522 -14.801 -12.869 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.226 -13.812 -12.224 1.00 0.00 H new ATOM 0 HG SER A 97 9.367 -13.676 -14.535 1.00 0.00 H new ATOM 1442 N LEU A 98 11.278 -10.623 -12.383 1.00 0.00 N ATOM 1443 CA LEU A 98 10.884 -9.224 -12.250 1.00 0.00 C ATOM 1444 C LEU A 98 9.540 -8.971 -12.926 1.00 0.00 C ATOM 1445 O LEU A 98 9.382 -9.190 -14.128 1.00 0.00 O ATOM 1446 CB LEU A 98 11.949 -8.295 -12.844 1.00 0.00 C ATOM 1447 CG LEU A 98 13.360 -8.467 -12.275 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.336 -7.550 -12.997 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.373 -8.186 -10.780 1.00 0.00 C ATOM 0 H LEU A 98 12.019 -10.792 -13.064 1.00 0.00 H new ATOM 0 HA LEU A 98 10.787 -9.008 -11.186 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.988 -8.456 -13.921 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.635 -7.263 -12.687 1.00 0.00 H new ATOM 0 HG LEU A 98 13.672 -9.500 -12.432 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.335 -7.683 -12.582 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.348 -7.796 -14.059 1.00 0.00 H new ATOM 0 HD13 LEU A 98 14.025 -6.513 -12.868 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.385 -8.314 -10.395 1.00 0.00 H new ATOM 0 HD22 LEU A 98 13.042 -7.163 -10.599 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.702 -8.879 -10.274 1.00 0.00 H new ATOM 1461 N LYS A 99 8.574 -8.514 -12.135 1.00 0.00 N ATOM 1462 CA LYS A 99 7.230 -8.228 -12.627 1.00 0.00 C ATOM 1463 C LYS A 99 6.832 -6.784 -12.342 1.00 0.00 C ATOM 1464 O LYS A 99 7.101 -6.257 -11.265 1.00 0.00 O ATOM 1465 CB LYS A 99 6.218 -9.171 -11.969 1.00 0.00 C ATOM 1466 CG LYS A 99 6.132 -10.547 -12.615 1.00 0.00 C ATOM 1467 CD LYS A 99 4.686 -10.947 -12.872 1.00 0.00 C ATOM 1468 CE LYS A 99 4.575 -12.382 -13.364 1.00 0.00 C ATOM 1469 NZ LYS A 99 3.164 -12.859 -13.373 1.00 0.00 N ATOM 0 H LYS A 99 8.700 -8.332 -11.139 1.00 0.00 H new ATOM 0 HA LYS A 99 7.231 -8.381 -13.706 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.481 -9.292 -10.918 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.233 -8.706 -11.999 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.684 -10.545 -13.555 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.607 -11.285 -11.968 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.109 -10.832 -11.955 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.249 -10.275 -13.610 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.989 -12.454 -14.370 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.174 -13.032 -12.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.132 -13.841 -13.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.776 -12.815 -12.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.597 -12.255 -14.002 1.00 0.00 H new ATOM 1483 N TYR A 100 6.180 -6.154 -13.315 1.00 0.00 N ATOM 1484 CA TYR A 100 5.733 -4.774 -13.168 1.00 0.00 C ATOM 1485 C TYR A 100 4.399 -4.721 -12.431 1.00 0.00 C ATOM 1486 O TYR A 100 3.337 -4.693 -13.053 1.00 0.00 O ATOM 1487 CB TYR A 100 5.594 -4.111 -14.541 1.00 0.00 C ATOM 1488 CG TYR A 100 5.458 -2.605 -14.486 1.00 0.00 C ATOM 1489 CD1 TYR A 100 4.209 -2.004 -14.389 1.00 0.00 C ATOM 1490 CD2 TYR A 100 6.578 -1.784 -14.537 1.00 0.00 C ATOM 1491 CE1 TYR A 100 4.079 -0.629 -14.344 1.00 0.00 C ATOM 1492 CE2 TYR A 100 6.457 -0.408 -14.493 1.00 0.00 C ATOM 1493 CZ TYR A 100 5.206 0.165 -14.397 1.00 0.00 C ATOM 1494 OH TYR A 100 5.081 1.534 -14.355 1.00 0.00 O ATOM 0 H TYR A 100 5.950 -6.578 -14.214 1.00 0.00 H new ATOM 0 HA TYR A 100 6.479 -4.232 -12.586 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.465 -4.365 -15.146 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.722 -4.526 -15.047 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.324 -2.622 -14.348 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.559 -2.229 -14.612 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.100 -0.178 -14.268 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.338 0.216 -14.534 1.00 0.00 H new ATOM 0 HH TYR A 100 5.900 1.948 -14.700 1.00 0.00 H new