USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 409 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 51 GLN :FLIP amide:sc= 0.494 F(o=-0.0053,f=1.1) USER MOD Set 1.2: A 55 TYR OH : rot 123:sc= 0.616 USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0.713 (180deg=0.713) USER MOD Single : A 3 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 4 GLN :FLIP amide:sc= -5.83! C(o=-6.9!,f=-5.8!) USER MOD Single : A 5 HIS : no HE2:sc= -10.3! C(o=-10!,f=-11!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0222 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -78:sc= -4.64! USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0208! USER MOD Single : A 30 THR OG1 : rot 57:sc= 1.05 USER MOD Single : A 41 GLN : amide:sc= -1.53 K(o=-1.5,f=-5.3!) USER MOD Single : A 44 HIS :FLIP no HD1:sc= -2.94! C(o=-7.7!,f=-2.9!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.111 USER MOD Single : A 48 SER OG : rot 62:sc= -0.725! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.9!) USER MOD Single : A 57 ASN : amide:sc= -0.231 K(o=-0.23,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 10.227 0.548 -2.411 1.00 0.00 N ATOM 2 CA PHE A 1 10.571 1.828 -3.093 1.00 0.00 C ATOM 3 C PHE A 1 11.024 2.856 -2.051 1.00 0.00 C ATOM 4 O PHE A 1 11.475 2.504 -0.980 1.00 0.00 O ATOM 5 CB PHE A 1 9.343 2.351 -3.841 1.00 0.00 C ATOM 6 CG PHE A 1 8.251 2.682 -2.856 1.00 0.00 C ATOM 7 CD1 PHE A 1 7.578 1.656 -2.183 1.00 0.00 C ATOM 8 CD2 PHE A 1 7.913 4.017 -2.615 1.00 0.00 C ATOM 9 CE1 PHE A 1 6.564 1.967 -1.267 1.00 0.00 C ATOM 10 CE2 PHE A 1 6.900 4.331 -1.700 1.00 0.00 C ATOM 11 CZ PHE A 1 6.225 3.306 -1.026 1.00 0.00 C ATOM 0 H1 PHE A 1 9.919 -0.150 -3.118 1.00 0.00 H new ATOM 0 H2 PHE A 1 11.063 0.187 -1.908 1.00 0.00 H new ATOM 0 H3 PHE A 1 9.458 0.713 -1.730 1.00 0.00 H new ATOM 0 HA PHE A 1 11.380 1.659 -3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 1 9.607 3.238 -4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 1 8.991 1.602 -4.551 1.00 0.00 H new ATOM 0 HD1 PHE A 1 7.840 0.625 -2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 1 8.434 4.807 -3.135 1.00 0.00 H new ATOM 0 HE1 PHE A 1 6.044 1.176 -0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 1 6.640 5.363 -1.515 1.00 0.00 H new ATOM 0 HZ PHE A 1 5.443 3.547 -0.321 1.00 0.00 H new ATOM 23 N VAL A 2 10.916 4.122 -2.354 1.00 0.00 N ATOM 24 CA VAL A 2 11.356 5.158 -1.377 1.00 0.00 C ATOM 25 C VAL A 2 10.257 6.201 -1.192 1.00 0.00 C ATOM 26 O VAL A 2 9.127 6.013 -1.590 1.00 0.00 O ATOM 27 CB VAL A 2 12.622 5.836 -1.897 1.00 0.00 C ATOM 28 CG1 VAL A 2 13.798 4.873 -1.759 1.00 0.00 C ATOM 29 CG2 VAL A 2 12.434 6.208 -3.369 1.00 0.00 C ATOM 0 H VAL A 2 10.543 4.482 -3.233 1.00 0.00 H new ATOM 0 HA VAL A 2 11.560 4.684 -0.417 1.00 0.00 H new ATOM 0 HB VAL A 2 12.819 6.739 -1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 2 14.705 5.351 -2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 2 13.929 4.607 -0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 2 13.600 3.972 -2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 2 13.337 6.692 -3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.240 5.306 -3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 2 11.590 6.891 -3.467 1.00 0.00 H new ATOM 39 N ASN A 3 10.582 7.302 -0.583 1.00 0.00 N ATOM 40 CA ASN A 3 9.560 8.361 -0.364 1.00 0.00 C ATOM 41 C ASN A 3 9.024 8.833 -1.705 1.00 0.00 C ATOM 42 O ASN A 3 9.556 9.736 -2.321 1.00 0.00 O ATOM 43 CB ASN A 3 10.189 9.534 0.390 1.00 0.00 C ATOM 44 CG ASN A 3 10.202 9.225 1.888 1.00 0.00 C ATOM 45 OD1 ASN A 3 10.479 8.014 2.286 1.00 0.00 O flip ATOM 46 ND2 ASN A 3 9.955 10.091 2.701 1.00 0.00 N flip ATOM 0 H ASN A 3 11.513 7.517 -0.226 1.00 0.00 H new ATOM 0 HA ASN A 3 8.738 7.958 0.228 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.205 9.707 0.034 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.625 10.447 0.200 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.739 11.037 2.388 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.964 9.873 3.697 1.00 0.00 H new ATOM 53 N GLN A 4 7.969 8.225 -2.167 1.00 0.00 N ATOM 54 CA GLN A 4 7.398 8.634 -3.470 1.00 0.00 C ATOM 55 C GLN A 4 5.880 8.816 -3.347 1.00 0.00 C ATOM 56 O GLN A 4 5.288 8.551 -2.310 1.00 0.00 O ATOM 57 CB GLN A 4 7.711 7.559 -4.516 1.00 0.00 C ATOM 58 CG GLN A 4 6.765 6.372 -4.333 1.00 0.00 C ATOM 59 CD GLN A 4 7.180 5.239 -5.270 1.00 0.00 C ATOM 60 OE1 GLN A 4 6.782 4.025 -5.015 1.00 0.00 O flip ATOM 61 NE2 GLN A 4 7.875 5.459 -6.242 1.00 0.00 N flip ATOM 0 H GLN A 4 7.480 7.463 -1.696 1.00 0.00 H new ATOM 0 HA GLN A 4 7.839 9.582 -3.777 1.00 0.00 H new ATOM 0 HB2 GLN A 4 7.603 7.971 -5.519 1.00 0.00 H new ATOM 0 HB3 GLN A 4 8.746 7.231 -4.416 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.790 6.030 -3.298 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.739 6.675 -4.544 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.187 6.410 -6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.147 4.693 -6.858 1.00 0.00 H new ATOM 70 N HIS A 5 5.255 9.267 -4.403 1.00 0.00 N ATOM 71 CA HIS A 5 3.782 9.481 -4.381 1.00 0.00 C ATOM 72 C HIS A 5 3.089 8.237 -4.943 1.00 0.00 C ATOM 73 O HIS A 5 3.200 7.925 -6.112 1.00 0.00 O ATOM 74 CB HIS A 5 3.439 10.693 -5.248 1.00 0.00 C ATOM 75 CG HIS A 5 3.742 11.950 -4.484 1.00 0.00 C ATOM 76 ND1 HIS A 5 2.741 12.754 -3.985 1.00 0.00 N ATOM 77 CD2 HIS A 5 4.937 12.523 -4.143 1.00 0.00 C ATOM 78 CE1 HIS A 5 3.346 13.778 -3.365 1.00 0.00 C ATOM 79 NE2 HIS A 5 4.689 13.678 -3.435 1.00 0.00 N ATOM 0 H HIS A 5 5.709 9.498 -5.287 1.00 0.00 H new ATOM 0 HA HIS A 5 3.446 9.657 -3.359 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.015 10.668 -6.173 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.386 10.668 -5.528 1.00 0.00 H new ATOM 0 HD1 HIS A 5 1.736 12.601 -4.070 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.914 12.134 -4.389 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.822 14.583 -2.871 1.00 0.00 H new ATOM 87 N LEU A 6 2.394 7.518 -4.112 1.00 0.00 N ATOM 88 CA LEU A 6 1.709 6.281 -4.575 1.00 0.00 C ATOM 89 C LEU A 6 0.195 6.382 -4.379 1.00 0.00 C ATOM 90 O LEU A 6 -0.286 6.696 -3.313 1.00 0.00 O ATOM 91 CB LEU A 6 2.240 5.111 -3.760 1.00 0.00 C ATOM 92 CG LEU A 6 2.867 4.094 -4.690 1.00 0.00 C ATOM 93 CD1 LEU A 6 3.866 4.805 -5.596 1.00 0.00 C ATOM 94 CD2 LEU A 6 3.589 3.046 -3.855 1.00 0.00 C ATOM 0 H LEU A 6 2.269 7.735 -3.123 1.00 0.00 H new ATOM 0 HA LEU A 6 1.905 6.141 -5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.976 5.462 -3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.430 4.651 -3.193 1.00 0.00 H new ATOM 0 HG LEU A 6 2.101 3.613 -5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.324 4.082 -6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.350 5.568 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.639 5.274 -4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.045 2.307 -4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.364 3.527 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.876 2.552 -3.195 1.00 0.00 H new ATOM 106 N CYS A 7 -0.559 6.092 -5.399 1.00 0.00 N ATOM 107 CA CYS A 7 -2.039 6.140 -5.265 1.00 0.00 C ATOM 108 C CYS A 7 -2.576 4.721 -5.395 1.00 0.00 C ATOM 109 O CYS A 7 -1.846 3.817 -5.743 1.00 0.00 O ATOM 110 CB CYS A 7 -2.637 7.016 -6.368 1.00 0.00 C ATOM 111 SG CYS A 7 -2.022 8.708 -6.203 1.00 0.00 S ATOM 0 H CYS A 7 -0.214 5.824 -6.321 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.311 6.563 -4.298 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.372 6.616 -7.347 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.725 7.006 -6.304 1.00 0.00 H new ATOM 116 N GLY A 8 -3.837 4.525 -5.108 1.00 0.00 N ATOM 117 CA GLY A 8 -4.442 3.159 -5.200 1.00 0.00 C ATOM 118 C GLY A 8 -3.744 2.332 -6.282 1.00 0.00 C ATOM 119 O GLY A 8 -3.417 1.182 -6.079 1.00 0.00 O ATOM 0 H GLY A 8 -4.480 5.259 -4.811 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.359 2.653 -4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.505 3.241 -5.426 1.00 0.00 H new ATOM 123 N SER A 9 -3.508 2.910 -7.427 1.00 0.00 N ATOM 124 CA SER A 9 -2.832 2.152 -8.519 1.00 0.00 C ATOM 125 C SER A 9 -1.418 1.749 -8.084 1.00 0.00 C ATOM 126 O SER A 9 -1.133 0.583 -7.881 1.00 0.00 O ATOM 127 CB SER A 9 -2.752 3.024 -9.771 1.00 0.00 C ATOM 128 OG SER A 9 -3.946 3.786 -9.888 1.00 0.00 O ATOM 0 H SER A 9 -3.753 3.874 -7.654 1.00 0.00 H new ATOM 0 HA SER A 9 -3.407 1.252 -8.736 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.888 3.686 -9.713 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.616 2.400 -10.655 1.00 0.00 H new ATOM 0 HG SER A 9 -3.898 4.348 -10.689 1.00 0.00 H new ATOM 134 N ASP A 10 -0.527 2.693 -7.933 1.00 0.00 N ATOM 135 CA ASP A 10 0.849 2.332 -7.512 1.00 0.00 C ATOM 136 C ASP A 10 0.794 1.815 -6.081 1.00 0.00 C ATOM 137 O ASP A 10 1.739 1.238 -5.579 1.00 0.00 O ATOM 138 CB ASP A 10 1.758 3.560 -7.601 1.00 0.00 C ATOM 139 CG ASP A 10 2.171 3.780 -9.057 1.00 0.00 C ATOM 140 OD1 ASP A 10 1.290 3.971 -9.879 1.00 0.00 O ATOM 141 OD2 ASP A 10 3.361 3.753 -9.325 1.00 0.00 O ATOM 0 H ASP A 10 -0.694 3.688 -8.082 1.00 0.00 H new ATOM 0 HA ASP A 10 1.253 1.560 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.238 4.440 -7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.641 3.419 -6.978 1.00 0.00 H new ATOM 146 N LEU A 11 -0.324 1.984 -5.430 1.00 0.00 N ATOM 147 CA LEU A 11 -0.458 1.466 -4.049 1.00 0.00 C ATOM 148 C LEU A 11 -0.510 -0.045 -4.108 1.00 0.00 C ATOM 149 O LEU A 11 0.190 -0.727 -3.391 1.00 0.00 O ATOM 150 CB LEU A 11 -1.755 1.965 -3.412 1.00 0.00 C ATOM 151 CG LEU A 11 -1.443 2.677 -2.100 1.00 0.00 C ATOM 152 CD1 LEU A 11 -1.529 4.182 -2.295 1.00 0.00 C ATOM 153 CD2 LEU A 11 -2.470 2.260 -1.055 1.00 0.00 C ATOM 0 H LEU A 11 -1.148 2.459 -5.799 1.00 0.00 H new ATOM 0 HA LEU A 11 0.389 1.811 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.268 2.645 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.428 1.127 -3.231 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.438 2.409 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.305 4.684 -1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.809 4.492 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.535 4.450 -2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.255 2.764 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.468 2.536 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.422 1.181 -0.908 1.00 0.00 H new ATOM 165 N VAL A 12 -1.341 -0.574 -4.960 1.00 0.00 N ATOM 166 CA VAL A 12 -1.447 -2.048 -5.055 1.00 0.00 C ATOM 167 C VAL A 12 -0.123 -2.599 -5.544 1.00 0.00 C ATOM 168 O VAL A 12 0.265 -3.675 -5.179 1.00 0.00 O ATOM 169 CB VAL A 12 -2.555 -2.441 -6.029 1.00 0.00 C ATOM 170 CG1 VAL A 12 -3.910 -2.286 -5.352 1.00 0.00 C ATOM 171 CG2 VAL A 12 -2.489 -1.553 -7.274 1.00 0.00 C ATOM 0 H VAL A 12 -1.947 -0.049 -5.590 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.687 -2.458 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.421 -3.481 -6.327 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.699 -2.567 -6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.954 -2.931 -4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.048 -1.249 -5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.282 -1.837 -7.966 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.617 -0.510 -6.984 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.521 -1.678 -7.759 1.00 0.00 H new ATOM 181 N GLU A 13 0.585 -1.860 -6.344 1.00 0.00 N ATOM 182 CA GLU A 13 1.908 -2.353 -6.822 1.00 0.00 C ATOM 183 C GLU A 13 2.850 -2.372 -5.624 1.00 0.00 C ATOM 184 O GLU A 13 3.400 -3.394 -5.264 1.00 0.00 O ATOM 185 CB GLU A 13 2.457 -1.405 -7.883 1.00 0.00 C ATOM 186 CG GLU A 13 3.337 -2.182 -8.864 1.00 0.00 C ATOM 187 CD GLU A 13 2.542 -2.485 -10.135 1.00 0.00 C ATOM 188 OE1 GLU A 13 1.875 -3.506 -10.164 1.00 0.00 O ATOM 189 OE2 GLU A 13 2.614 -1.691 -11.059 1.00 0.00 O ATOM 0 H GLU A 13 0.310 -0.940 -6.688 1.00 0.00 H new ATOM 0 HA GLU A 13 1.812 -3.348 -7.257 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.636 -0.927 -8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.036 -0.611 -7.411 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.227 -1.602 -9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.678 -3.110 -8.406 1.00 0.00 H new ATOM 196 N ALA A 14 3.015 -1.246 -4.984 1.00 0.00 N ATOM 197 CA ALA A 14 3.892 -1.195 -3.785 1.00 0.00 C ATOM 198 C ALA A 14 3.411 -2.253 -2.811 1.00 0.00 C ATOM 199 O ALA A 14 4.164 -3.081 -2.339 1.00 0.00 O ATOM 200 CB ALA A 14 3.775 0.181 -3.134 1.00 0.00 C ATOM 0 H ALA A 14 2.579 -0.360 -5.242 1.00 0.00 H new ATOM 0 HA ALA A 14 4.931 -1.374 -4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.417 0.223 -2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.084 0.947 -3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.741 0.357 -2.838 1.00 0.00 H new ATOM 206 N LEU A 15 2.144 -2.240 -2.534 1.00 0.00 N ATOM 207 CA LEU A 15 1.567 -3.246 -1.616 1.00 0.00 C ATOM 208 C LEU A 15 1.771 -4.620 -2.233 1.00 0.00 C ATOM 209 O LEU A 15 2.129 -5.572 -1.574 1.00 0.00 O ATOM 210 CB LEU A 15 0.082 -2.968 -1.472 1.00 0.00 C ATOM 211 CG LEU A 15 -0.152 -2.181 -0.189 1.00 0.00 C ATOM 212 CD1 LEU A 15 -1.404 -1.340 -0.326 1.00 0.00 C ATOM 213 CD2 LEU A 15 -0.337 -3.156 0.968 1.00 0.00 C ATOM 0 H LEU A 15 1.476 -1.567 -2.910 1.00 0.00 H new ATOM 0 HA LEU A 15 2.044 -3.203 -0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.281 -2.404 -2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.476 -3.904 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 15 0.704 -1.533 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.568 -0.779 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.287 -0.646 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.260 -1.989 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.505 -2.599 1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.196 -3.797 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.557 -3.770 1.073 1.00 0.00 H new ATOM 225 N TYR A 16 1.574 -4.705 -3.510 1.00 0.00 N ATOM 226 CA TYR A 16 1.774 -5.987 -4.229 1.00 0.00 C ATOM 227 C TYR A 16 3.218 -6.417 -4.008 1.00 0.00 C ATOM 228 O TYR A 16 3.578 -7.569 -4.146 1.00 0.00 O ATOM 229 CB TYR A 16 1.509 -5.737 -5.715 1.00 0.00 C ATOM 230 CG TYR A 16 2.141 -6.798 -6.562 1.00 0.00 C ATOM 231 CD1 TYR A 16 1.495 -8.021 -6.749 1.00 0.00 C ATOM 232 CD2 TYR A 16 3.367 -6.543 -7.179 1.00 0.00 C ATOM 233 CE1 TYR A 16 2.083 -9.002 -7.557 1.00 0.00 C ATOM 234 CE2 TYR A 16 3.958 -7.517 -7.990 1.00 0.00 C ATOM 235 CZ TYR A 16 3.316 -8.752 -8.179 1.00 0.00 C ATOM 236 OH TYR A 16 3.895 -9.716 -8.979 1.00 0.00 O ATOM 0 H TYR A 16 1.277 -3.927 -4.099 1.00 0.00 H new ATOM 0 HA TYR A 16 1.103 -6.768 -3.871 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.435 -5.714 -5.897 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.901 -4.760 -5.998 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.545 -8.210 -6.272 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.859 -5.593 -7.030 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.588 -9.951 -7.701 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.905 -7.320 -8.470 1.00 0.00 H new ATOM 0 HH TYR A 16 4.745 -9.380 -9.333 1.00 0.00 H new ATOM 246 N LEU A 17 4.037 -5.474 -3.651 1.00 0.00 N ATOM 247 CA LEU A 17 5.465 -5.753 -3.394 1.00 0.00 C ATOM 248 C LEU A 17 5.646 -6.100 -1.920 1.00 0.00 C ATOM 249 O LEU A 17 5.975 -7.212 -1.558 1.00 0.00 O ATOM 250 CB LEU A 17 6.247 -4.480 -3.712 1.00 0.00 C ATOM 251 CG LEU A 17 7.154 -4.699 -4.921 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.427 -5.526 -5.989 1.00 0.00 C ATOM 253 CD2 LEU A 17 7.532 -3.341 -5.512 1.00 0.00 C ATOM 0 H LEU A 17 3.766 -4.499 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 17 5.816 -6.584 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.556 -3.661 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.845 -4.188 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 17 8.048 -5.236 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.085 -5.674 -6.845 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.149 -6.494 -5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.529 -4.998 -6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.180 -3.488 -6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.629 -2.815 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.057 -2.751 -4.761 1.00 0.00 H new ATOM 265 N VAL A 18 5.428 -5.139 -1.076 1.00 0.00 N ATOM 266 CA VAL A 18 5.580 -5.376 0.393 1.00 0.00 C ATOM 267 C VAL A 18 4.886 -6.677 0.763 1.00 0.00 C ATOM 268 O VAL A 18 5.278 -7.368 1.681 1.00 0.00 O ATOM 269 CB VAL A 18 4.949 -4.240 1.216 1.00 0.00 C ATOM 270 CG1 VAL A 18 6.047 -3.462 1.927 1.00 0.00 C ATOM 271 CG2 VAL A 18 4.160 -3.288 0.320 1.00 0.00 C ATOM 0 H VAL A 18 5.149 -4.192 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 18 6.646 -5.421 0.617 1.00 0.00 H new ATOM 0 HB VAL A 18 4.266 -4.680 1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.602 -2.656 2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.596 -4.131 2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.731 -3.041 1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.724 -2.494 0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.827 -2.852 -0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.365 -3.838 -0.184 1.00 0.00 H new ATOM 281 N CYS A 19 3.850 -7.009 0.058 1.00 0.00 N ATOM 282 CA CYS A 19 3.119 -8.267 0.374 1.00 0.00 C ATOM 283 C CYS A 19 3.711 -9.421 -0.422 1.00 0.00 C ATOM 284 O CYS A 19 4.303 -10.332 0.120 1.00 0.00 O ATOM 285 CB CYS A 19 1.639 -8.117 0.014 1.00 0.00 C ATOM 286 SG CYS A 19 0.652 -8.171 1.521 1.00 0.00 S ATOM 0 H CYS A 19 3.475 -6.469 -0.722 1.00 0.00 H new ATOM 0 HA CYS A 19 3.215 -8.470 1.441 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.474 -7.175 -0.509 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.335 -8.915 -0.663 1.00 0.00 H new ATOM 291 N GLY A 20 3.543 -9.388 -1.709 1.00 0.00 N ATOM 292 CA GLY A 20 4.080 -10.483 -2.559 1.00 0.00 C ATOM 293 C GLY A 20 3.281 -11.758 -2.286 1.00 0.00 C ATOM 294 O GLY A 20 2.570 -12.252 -3.138 1.00 0.00 O ATOM 0 H GLY A 20 3.055 -8.647 -2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.009 -10.212 -3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.136 -10.646 -2.342 1.00 0.00 H new ATOM 298 N GLU A 21 3.390 -12.291 -1.100 1.00 0.00 N ATOM 299 CA GLU A 21 2.635 -13.532 -0.768 1.00 0.00 C ATOM 300 C GLU A 21 2.009 -13.408 0.625 1.00 0.00 C ATOM 301 O GLU A 21 1.323 -14.300 1.085 1.00 0.00 O ATOM 302 CB GLU A 21 3.592 -14.723 -0.790 1.00 0.00 C ATOM 303 CG GLU A 21 3.853 -15.139 -2.241 1.00 0.00 C ATOM 304 CD GLU A 21 4.178 -16.632 -2.294 1.00 0.00 C ATOM 305 OE1 GLU A 21 4.973 -17.075 -1.480 1.00 0.00 O ATOM 306 OE2 GLU A 21 3.628 -17.308 -3.147 1.00 0.00 O ATOM 0 H GLU A 21 3.969 -11.921 -0.347 1.00 0.00 H new ATOM 0 HA GLU A 21 1.843 -13.679 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.530 -14.459 -0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.166 -15.557 -0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.978 -14.925 -2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.680 -14.561 -2.653 1.00 0.00 H new ATOM 313 N ARG A 22 2.238 -12.316 1.303 1.00 0.00 N ATOM 314 CA ARG A 22 1.655 -12.146 2.664 1.00 0.00 C ATOM 315 C ARG A 22 0.133 -12.040 2.565 1.00 0.00 C ATOM 316 O ARG A 22 -0.571 -12.148 3.550 1.00 0.00 O ATOM 317 CB ARG A 22 2.201 -10.864 3.299 1.00 0.00 C ATOM 318 CG ARG A 22 3.731 -10.901 3.293 1.00 0.00 C ATOM 319 CD ARG A 22 4.253 -10.678 4.713 1.00 0.00 C ATOM 320 NE ARG A 22 3.424 -9.643 5.394 1.00 0.00 N ATOM 321 CZ ARG A 22 3.405 -9.575 6.696 1.00 0.00 C ATOM 322 NH1 ARG A 22 3.384 -10.671 7.406 1.00 0.00 N ATOM 323 NH2 ARG A 22 3.409 -8.413 7.289 1.00 0.00 N ATOM 0 H ARG A 22 2.804 -11.534 0.973 1.00 0.00 H new ATOM 0 HA ARG A 22 1.924 -13.007 3.276 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.846 -9.993 2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.833 -10.767 4.320 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.080 -11.861 2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.121 -10.132 2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.220 -11.612 5.274 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.295 -10.361 4.682 1.00 0.00 H new ATOM 0 HE ARG A 22 2.871 -8.988 4.841 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.382 -11.579 6.942 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.369 -10.619 8.425 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.427 -7.557 6.734 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.394 -8.360 8.308 1.00 0.00 H new ATOM 337 N GLY A 23 -0.381 -11.821 1.390 1.00 0.00 N ATOM 338 CA GLY A 23 -1.857 -11.697 1.237 1.00 0.00 C ATOM 339 C GLY A 23 -2.281 -10.277 1.617 1.00 0.00 C ATOM 340 O GLY A 23 -2.755 -10.030 2.708 1.00 0.00 O ATOM 0 H GLY A 23 0.156 -11.722 0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.148 -11.914 0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.363 -12.424 1.872 1.00 0.00 H new ATOM 344 N PHE A 24 -2.106 -9.342 0.726 1.00 0.00 N ATOM 345 CA PHE A 24 -2.489 -7.936 1.034 1.00 0.00 C ATOM 346 C PHE A 24 -3.996 -7.762 0.826 1.00 0.00 C ATOM 347 O PHE A 24 -4.701 -8.690 0.486 1.00 0.00 O ATOM 348 CB PHE A 24 -1.712 -6.981 0.102 1.00 0.00 C ATOM 349 CG PHE A 24 -2.613 -6.467 -1.004 1.00 0.00 C ATOM 350 CD1 PHE A 24 -3.232 -7.370 -1.881 1.00 0.00 C ATOM 351 CD2 PHE A 24 -2.836 -5.093 -1.139 1.00 0.00 C ATOM 352 CE1 PHE A 24 -4.072 -6.892 -2.894 1.00 0.00 C ATOM 353 CE2 PHE A 24 -3.676 -4.616 -2.150 1.00 0.00 C ATOM 354 CZ PHE A 24 -4.295 -5.514 -3.029 1.00 0.00 C ATOM 0 H PHE A 24 -1.714 -9.491 -0.204 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.244 -7.704 2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.318 -6.143 0.677 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.857 -7.501 -0.330 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.061 -8.431 -1.775 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.359 -4.400 -0.462 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.548 -7.585 -3.572 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.848 -3.555 -2.253 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.943 -5.145 -3.810 1.00 0.00 H new ATOM 364 N PHE A 25 -4.482 -6.566 1.004 1.00 0.00 N ATOM 365 CA PHE A 25 -5.929 -6.318 0.789 1.00 0.00 C ATOM 366 C PHE A 25 -6.166 -4.824 0.606 1.00 0.00 C ATOM 367 O PHE A 25 -5.245 -4.036 0.522 1.00 0.00 O ATOM 368 CB PHE A 25 -6.730 -6.812 1.989 1.00 0.00 C ATOM 369 CG PHE A 25 -6.236 -6.130 3.242 1.00 0.00 C ATOM 370 CD1 PHE A 25 -6.466 -4.759 3.436 1.00 0.00 C ATOM 371 CD2 PHE A 25 -5.545 -6.868 4.208 1.00 0.00 C ATOM 372 CE1 PHE A 25 -6.004 -4.131 4.600 1.00 0.00 C ATOM 373 CE2 PHE A 25 -5.084 -6.240 5.372 1.00 0.00 C ATOM 374 CZ PHE A 25 -5.312 -4.871 5.569 1.00 0.00 C ATOM 0 H PHE A 25 -3.938 -5.752 1.289 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.252 -6.856 -0.102 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.790 -6.603 1.843 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.629 -7.893 2.087 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.998 -4.189 2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.367 -7.922 4.057 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.181 -3.076 4.751 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.552 -6.811 6.119 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.955 -4.387 6.466 1.00 0.00 H new ATOM 384 N TYR A 26 -7.403 -4.433 0.557 1.00 0.00 N ATOM 385 CA TYR A 26 -7.737 -2.996 0.397 1.00 0.00 C ATOM 386 C TYR A 26 -9.015 -2.732 1.195 1.00 0.00 C ATOM 387 O TYR A 26 -10.106 -3.004 0.735 1.00 0.00 O ATOM 388 CB TYR A 26 -7.988 -2.704 -1.081 1.00 0.00 C ATOM 389 CG TYR A 26 -7.380 -1.376 -1.475 1.00 0.00 C ATOM 390 CD1 TYR A 26 -7.934 -0.172 -1.010 1.00 0.00 C ATOM 391 CD2 TYR A 26 -6.272 -1.350 -2.333 1.00 0.00 C ATOM 392 CE1 TYR A 26 -7.376 1.052 -1.408 1.00 0.00 C ATOM 393 CE2 TYR A 26 -5.714 -0.126 -2.725 1.00 0.00 C ATOM 394 CZ TYR A 26 -6.268 1.075 -2.264 1.00 0.00 C ATOM 395 OH TYR A 26 -5.719 2.281 -2.654 1.00 0.00 O ATOM 0 H TYR A 26 -8.208 -5.056 0.622 1.00 0.00 H new ATOM 0 HA TYR A 26 -6.924 -2.362 0.752 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.562 -3.500 -1.691 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.060 -2.691 -1.277 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.787 -0.188 -0.348 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.847 -2.276 -2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.802 1.979 -1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.857 -0.109 -3.382 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.272 2.680 -3.358 1.00 0.00 H new ATOM 405 N THR A 27 -8.899 -2.232 2.392 1.00 0.00 N ATOM 406 CA THR A 27 -10.125 -1.993 3.205 1.00 0.00 C ATOM 407 C THR A 27 -10.818 -0.721 2.750 1.00 0.00 C ATOM 408 O THR A 27 -10.421 -0.079 1.798 1.00 0.00 O ATOM 409 CB THR A 27 -9.755 -1.848 4.680 1.00 0.00 C ATOM 410 OG1 THR A 27 -10.929 -1.572 5.433 1.00 0.00 O ATOM 411 CG2 THR A 27 -8.764 -0.698 4.842 1.00 0.00 C ATOM 0 H THR A 27 -8.018 -1.980 2.840 1.00 0.00 H new ATOM 0 HA THR A 27 -10.795 -2.843 3.073 1.00 0.00 H new ATOM 0 HB THR A 27 -9.301 -2.772 5.038 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.696 -1.480 6.380 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.498 -0.592 5.894 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.866 -0.907 4.260 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.219 0.227 4.488 1.00 0.00 H new ATOM 419 N ASP A 28 -11.857 -0.361 3.435 1.00 0.00 N ATOM 420 CA ASP A 28 -12.606 0.866 3.074 1.00 0.00 C ATOM 421 C ASP A 28 -13.864 0.951 3.943 1.00 0.00 C ATOM 422 O ASP A 28 -14.787 0.181 3.763 1.00 0.00 O ATOM 423 CB ASP A 28 -13.008 0.806 1.597 1.00 0.00 C ATOM 424 CG ASP A 28 -13.687 -0.532 1.304 1.00 0.00 C ATOM 425 OD1 ASP A 28 -12.976 -1.506 1.118 1.00 0.00 O ATOM 426 OD2 ASP A 28 -14.906 -0.561 1.271 1.00 0.00 O ATOM 0 H ASP A 28 -12.225 -0.869 4.239 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.981 1.743 3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.684 1.628 1.360 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -12.128 0.925 0.965 1.00 0.00 H new ATOM 431 N PRO A 29 -13.861 1.872 4.872 1.00 0.00 N ATOM 432 CA PRO A 29 -14.992 2.062 5.795 1.00 0.00 C ATOM 433 C PRO A 29 -16.184 2.731 5.099 1.00 0.00 C ATOM 434 O PRO A 29 -17.159 3.079 5.735 1.00 0.00 O ATOM 435 CB PRO A 29 -14.422 2.980 6.881 1.00 0.00 C ATOM 436 CG PRO A 29 -13.221 3.708 6.238 1.00 0.00 C ATOM 437 CD PRO A 29 -12.738 2.809 5.087 1.00 0.00 C ATOM 0 HA PRO A 29 -15.371 1.116 6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -15.173 3.693 7.223 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -14.108 2.405 7.752 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -13.515 4.690 5.867 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -12.427 3.867 6.967 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -12.525 3.389 4.189 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -11.822 2.281 5.350 1.00 0.00 H new ATOM 445 N THR A 30 -16.128 2.924 3.807 1.00 0.00 N ATOM 446 CA THR A 30 -17.278 3.580 3.125 1.00 0.00 C ATOM 447 C THR A 30 -17.042 3.618 1.610 1.00 0.00 C ATOM 448 O THR A 30 -17.701 2.938 0.849 1.00 0.00 O ATOM 449 CB THR A 30 -17.445 4.999 3.712 1.00 0.00 C ATOM 450 OG1 THR A 30 -18.556 5.004 4.594 1.00 0.00 O ATOM 451 CG2 THR A 30 -17.672 6.043 2.612 1.00 0.00 C ATOM 0 H THR A 30 -15.349 2.660 3.204 1.00 0.00 H new ATOM 0 HA THR A 30 -18.195 3.016 3.293 1.00 0.00 H new ATOM 0 HB THR A 30 -16.529 5.260 4.241 1.00 0.00 H new ATOM 0 HG1 THR A 30 -18.427 4.323 5.287 1.00 0.00 H new ATOM 0 HG21 THR A 30 -17.785 7.029 3.064 1.00 0.00 H new ATOM 0 HG22 THR A 30 -16.818 6.050 1.935 1.00 0.00 H new ATOM 0 HG23 THR A 30 -18.575 5.794 2.054 1.00 0.00 H new ATOM 459 N GLY A 31 -16.113 4.409 1.172 1.00 0.00 N ATOM 460 CA GLY A 31 -15.834 4.504 -0.292 1.00 0.00 C ATOM 461 C GLY A 31 -15.233 5.876 -0.610 1.00 0.00 C ATOM 462 O GLY A 31 -15.054 6.700 0.266 1.00 0.00 O ATOM 0 H GLY A 31 -15.528 5.000 1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -15.145 3.715 -0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -16.754 4.358 -0.858 1.00 0.00 H new ATOM 466 N GLY A 32 -14.907 6.131 -1.853 1.00 0.00 N ATOM 467 CA GLY A 32 -14.305 7.451 -2.199 1.00 0.00 C ATOM 468 C GLY A 32 -13.144 7.705 -1.241 1.00 0.00 C ATOM 469 O GLY A 32 -13.311 8.296 -0.192 1.00 0.00 O ATOM 0 H GLY A 32 -15.031 5.488 -2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.955 7.451 -3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -15.049 8.243 -2.115 1.00 0.00 H new ATOM 473 N GLY A 33 -11.974 7.232 -1.571 1.00 0.00 N ATOM 474 CA GLY A 33 -10.823 7.418 -0.649 1.00 0.00 C ATOM 475 C GLY A 33 -11.249 6.946 0.743 1.00 0.00 C ATOM 476 O GLY A 33 -11.149 7.684 1.704 1.00 0.00 O ATOM 0 H GLY A 33 -11.768 6.728 -2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.961 6.849 -0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.523 8.466 -0.621 1.00 0.00 H new ATOM 480 N PRO A 34 -11.724 5.724 0.810 1.00 0.00 N ATOM 481 CA PRO A 34 -12.196 5.125 2.070 1.00 0.00 C ATOM 482 C PRO A 34 -11.008 4.807 2.966 1.00 0.00 C ATOM 483 O PRO A 34 -10.975 5.161 4.128 1.00 0.00 O ATOM 484 CB PRO A 34 -12.930 3.860 1.618 1.00 0.00 C ATOM 485 CG PRO A 34 -12.374 3.511 0.220 1.00 0.00 C ATOM 486 CD PRO A 34 -11.804 4.818 -0.358 1.00 0.00 C ATOM 0 HA PRO A 34 -12.843 5.779 2.655 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -12.762 3.042 2.318 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.006 4.029 1.577 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -11.600 2.747 0.289 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.159 3.112 -0.422 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.824 4.661 -0.808 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -12.450 5.226 -1.135 1.00 0.00 H new ATOM 494 N ARG A 35 -10.013 4.190 2.416 1.00 0.00 N ATOM 495 CA ARG A 35 -8.793 3.900 3.207 1.00 0.00 C ATOM 496 C ARG A 35 -7.786 4.971 2.856 1.00 0.00 C ATOM 497 O ARG A 35 -6.599 4.739 2.746 1.00 0.00 O ATOM 498 CB ARG A 35 -8.230 2.528 2.861 1.00 0.00 C ATOM 499 CG ARG A 35 -7.080 2.222 3.819 1.00 0.00 C ATOM 500 CD ARG A 35 -7.514 2.476 5.267 1.00 0.00 C ATOM 501 NE ARG A 35 -8.906 1.994 5.483 1.00 0.00 N ATOM 502 CZ ARG A 35 -9.392 1.950 6.692 1.00 0.00 C ATOM 503 NH1 ARG A 35 -8.899 1.113 7.565 1.00 0.00 N ATOM 504 NH2 ARG A 35 -10.365 2.748 7.030 1.00 0.00 N ATOM 0 H ARG A 35 -9.989 3.871 1.447 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.022 3.896 4.273 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.006 1.767 2.945 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.879 2.512 1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.767 1.185 3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.219 2.844 3.575 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.836 1.967 5.951 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.452 3.541 5.491 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.476 1.700 4.690 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.133 0.493 7.301 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.280 1.079 8.511 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.745 3.406 6.349 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.747 2.715 7.975 1.00 0.00 H new ATOM 518 N ARG A 36 -8.279 6.152 2.666 1.00 0.00 N ATOM 519 CA ARG A 36 -7.407 7.288 2.303 1.00 0.00 C ATOM 520 C ARG A 36 -6.168 7.326 3.208 1.00 0.00 C ATOM 521 O ARG A 36 -5.175 7.926 2.862 1.00 0.00 O ATOM 522 CB ARG A 36 -8.208 8.585 2.392 1.00 0.00 C ATOM 523 CG ARG A 36 -8.302 9.047 3.845 1.00 0.00 C ATOM 524 CD ARG A 36 -9.773 9.225 4.219 1.00 0.00 C ATOM 525 NE ARG A 36 -10.040 10.658 4.536 1.00 0.00 N ATOM 526 CZ ARG A 36 -9.645 11.163 5.674 1.00 0.00 C ATOM 527 NH1 ARG A 36 -9.607 10.419 6.747 1.00 0.00 N ATOM 528 NH2 ARG A 36 -9.291 12.417 5.739 1.00 0.00 N ATOM 0 H ARG A 36 -9.269 6.382 2.749 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.055 7.167 1.279 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.733 9.357 1.787 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.208 8.432 1.986 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.833 8.316 4.503 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.764 9.986 3.977 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.410 8.900 3.396 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.018 8.600 5.078 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.532 11.245 3.862 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.886 9.439 6.698 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.298 10.818 7.633 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.323 13.000 4.903 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.982 12.814 6.626 1.00 0.00 H new ATOM 542 N GLY A 37 -6.172 6.660 4.333 1.00 0.00 N ATOM 543 CA GLY A 37 -4.937 6.657 5.168 1.00 0.00 C ATOM 544 C GLY A 37 -3.782 6.363 4.216 1.00 0.00 C ATOM 545 O GLY A 37 -2.752 7.007 4.232 1.00 0.00 O ATOM 0 H GLY A 37 -6.960 6.129 4.703 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.799 7.618 5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.998 5.901 5.951 1.00 0.00 H new ATOM 549 N ILE A 38 -3.998 5.423 3.331 1.00 0.00 N ATOM 550 CA ILE A 38 -2.979 5.107 2.303 1.00 0.00 C ATOM 551 C ILE A 38 -3.309 5.920 1.055 1.00 0.00 C ATOM 552 O ILE A 38 -2.547 6.745 0.593 1.00 0.00 O ATOM 553 CB ILE A 38 -3.017 3.625 1.907 1.00 0.00 C ATOM 554 CG1 ILE A 38 -3.670 2.745 2.979 1.00 0.00 C ATOM 555 CG2 ILE A 38 -1.594 3.151 1.675 1.00 0.00 C ATOM 556 CD1 ILE A 38 -4.683 1.819 2.296 1.00 0.00 C ATOM 0 H ILE A 38 -4.847 4.860 3.282 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.994 5.340 2.708 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.620 3.536 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.913 2.159 3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.166 3.364 3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.603 2.098 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.141 3.738 0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.015 3.276 2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.158 1.185 3.044 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.442 2.418 1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.170 1.195 1.564 1.00 0.00 H new ATOM 568 N VAL A 39 -4.459 5.645 0.510 1.00 0.00 N ATOM 569 CA VAL A 39 -4.929 6.328 -0.727 1.00 0.00 C ATOM 570 C VAL A 39 -4.769 7.847 -0.615 1.00 0.00 C ATOM 571 O VAL A 39 -4.542 8.520 -1.594 1.00 0.00 O ATOM 572 CB VAL A 39 -6.403 5.955 -0.951 1.00 0.00 C ATOM 573 CG1 VAL A 39 -7.119 7.053 -1.742 1.00 0.00 C ATOM 574 CG2 VAL A 39 -6.463 4.650 -1.743 1.00 0.00 C ATOM 0 H VAL A 39 -5.112 4.955 0.881 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.326 6.003 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.894 5.840 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.162 6.773 -1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.071 7.991 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.635 7.179 -2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.504 4.373 -1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.965 4.784 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.963 3.861 -1.182 1.00 0.00 H new ATOM 584 N GLU A 40 -4.886 8.391 0.553 1.00 0.00 N ATOM 585 CA GLU A 40 -4.730 9.868 0.695 1.00 0.00 C ATOM 586 C GLU A 40 -3.282 10.179 1.030 1.00 0.00 C ATOM 587 O GLU A 40 -2.805 11.281 0.840 1.00 0.00 O ATOM 588 CB GLU A 40 -5.623 10.415 1.813 1.00 0.00 C ATOM 589 CG GLU A 40 -6.683 11.343 1.218 1.00 0.00 C ATOM 590 CD GLU A 40 -7.488 11.990 2.349 1.00 0.00 C ATOM 591 OE1 GLU A 40 -6.905 12.744 3.108 1.00 0.00 O ATOM 592 OE2 GLU A 40 -8.674 11.716 2.436 1.00 0.00 O ATOM 0 H GLU A 40 -5.082 7.886 1.417 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.022 10.338 -0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.102 9.593 2.344 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.020 10.956 2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.208 12.112 0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.346 10.781 0.561 1.00 0.00 H new ATOM 599 N GLN A 41 -2.593 9.219 1.560 1.00 0.00 N ATOM 600 CA GLN A 41 -1.186 9.446 1.950 1.00 0.00 C ATOM 601 C GLN A 41 -0.264 9.289 0.739 1.00 0.00 C ATOM 602 O GLN A 41 -0.061 10.219 -0.015 1.00 0.00 O ATOM 603 CB GLN A 41 -0.817 8.437 3.041 1.00 0.00 C ATOM 604 CG GLN A 41 0.659 8.594 3.408 1.00 0.00 C ATOM 605 CD GLN A 41 0.876 9.953 4.075 1.00 0.00 C ATOM 606 OE1 GLN A 41 -0.055 10.717 4.239 1.00 0.00 O ATOM 607 NE2 GLN A 41 2.073 10.290 4.468 1.00 0.00 N ATOM 0 H GLN A 41 -2.947 8.280 1.741 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.066 10.460 2.330 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.440 8.595 3.922 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.009 7.422 2.692 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.965 7.793 4.082 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.278 8.512 2.514 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.854 9.649 4.330 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.228 11.195 4.913 1.00 0.00 H new ATOM 616 N CYS A 42 0.299 8.129 0.552 1.00 0.00 N ATOM 617 CA CYS A 42 1.212 7.918 -0.606 1.00 0.00 C ATOM 618 C CYS A 42 0.641 8.607 -1.848 1.00 0.00 C ATOM 619 O CYS A 42 1.377 9.101 -2.673 1.00 0.00 O ATOM 620 CB CYS A 42 1.385 6.418 -0.854 1.00 0.00 C ATOM 621 SG CYS A 42 3.140 6.003 -0.684 1.00 0.00 S ATOM 0 H CYS A 42 0.166 7.315 1.153 1.00 0.00 H new ATOM 0 HA CYS A 42 2.187 8.352 -0.387 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.790 5.846 -0.142 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.029 6.156 -1.850 1.00 0.00 H new ATOM 626 N CYS A 43 -0.657 8.664 -1.998 1.00 0.00 N ATOM 627 CA CYS A 43 -1.212 9.335 -3.207 1.00 0.00 C ATOM 628 C CYS A 43 -0.925 10.834 -3.142 1.00 0.00 C ATOM 629 O CYS A 43 -0.291 11.394 -4.016 1.00 0.00 O ATOM 630 CB CYS A 43 -2.721 9.122 -3.279 1.00 0.00 C ATOM 631 SG CYS A 43 -3.323 9.580 -4.926 1.00 0.00 S ATOM 0 H CYS A 43 -1.344 8.282 -1.348 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.742 8.906 -4.092 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.961 8.080 -3.070 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.220 9.723 -2.519 1.00 0.00 H new ATOM 636 N HIS A 44 -1.390 11.491 -2.118 1.00 0.00 N ATOM 637 CA HIS A 44 -1.148 12.952 -2.002 1.00 0.00 C ATOM 638 C HIS A 44 0.237 13.178 -1.405 1.00 0.00 C ATOM 639 O HIS A 44 1.090 13.799 -2.005 1.00 0.00 O ATOM 640 CB HIS A 44 -2.214 13.571 -1.099 1.00 0.00 C ATOM 641 CG HIS A 44 -3.567 13.140 -1.585 1.00 0.00 C ATOM 642 ND1 HIS A 44 -4.155 11.908 -1.618 1.00 0.00 N flip ATOM 643 CD2 HIS A 44 -4.459 14.040 -2.127 1.00 0.00 C flip ATOM 644 CE1 HIS A 44 -5.408 12.029 -2.180 1.00 0.00 C flip ATOM 645 NE2 HIS A 44 -5.550 13.339 -2.472 1.00 0.00 N flip ATOM 0 H HIS A 44 -1.928 11.078 -1.356 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.200 13.420 -2.985 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.065 13.254 -0.067 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.136 14.658 -1.113 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.309 15.102 -2.250 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.126 11.240 -2.351 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.382 13.745 -2.901 1.00 0.00 H new ATOM 653 N SER A 45 0.470 12.662 -0.233 1.00 0.00 N ATOM 654 CA SER A 45 1.805 12.826 0.399 1.00 0.00 C ATOM 655 C SER A 45 2.712 11.687 -0.081 1.00 0.00 C ATOM 656 O SER A 45 2.808 11.424 -1.264 1.00 0.00 O ATOM 657 CB SER A 45 1.650 12.779 1.920 1.00 0.00 C ATOM 658 OG SER A 45 2.901 13.072 2.529 1.00 0.00 O ATOM 0 H SER A 45 -0.208 12.133 0.315 1.00 0.00 H new ATOM 0 HA SER A 45 2.247 13.783 0.122 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.898 13.499 2.243 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.303 11.794 2.231 1.00 0.00 H new ATOM 0 HG SER A 45 2.805 13.044 3.504 1.00 0.00 H new ATOM 664 N ILE A 46 3.368 10.996 0.811 1.00 0.00 N ATOM 665 CA ILE A 46 4.247 9.875 0.376 1.00 0.00 C ATOM 666 C ILE A 46 4.297 8.826 1.482 1.00 0.00 C ATOM 667 O ILE A 46 3.975 9.090 2.626 1.00 0.00 O ATOM 668 CB ILE A 46 5.673 10.404 0.111 1.00 0.00 C ATOM 669 CG1 ILE A 46 5.762 11.060 -1.274 1.00 0.00 C ATOM 670 CG2 ILE A 46 6.682 9.257 0.182 1.00 0.00 C ATOM 671 CD1 ILE A 46 5.492 12.555 -1.140 1.00 0.00 C ATOM 0 H ILE A 46 3.333 11.158 1.817 1.00 0.00 H new ATOM 0 HA ILE A 46 3.851 9.434 -0.539 1.00 0.00 H new ATOM 0 HB ILE A 46 5.903 11.147 0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.749 10.894 -1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.038 10.607 -1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.684 9.642 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.648 8.803 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.434 8.507 -0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.554 13.025 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.495 12.709 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.233 13.001 -0.477 1.00 0.00 H new ATOM 683 N CYS A 47 4.716 7.640 1.152 1.00 0.00 N ATOM 684 CA CYS A 47 4.808 6.573 2.189 1.00 0.00 C ATOM 685 C CYS A 47 5.917 5.594 1.803 1.00 0.00 C ATOM 686 O CYS A 47 6.706 5.861 0.918 1.00 0.00 O ATOM 687 CB CYS A 47 3.468 5.840 2.313 1.00 0.00 C ATOM 688 SG CYS A 47 3.220 4.746 0.892 1.00 0.00 S ATOM 0 H CYS A 47 4.999 7.361 0.213 1.00 0.00 H new ATOM 0 HA CYS A 47 5.043 7.022 3.154 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.446 5.260 3.236 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.654 6.563 2.371 1.00 0.00 H new ATOM 693 N SER A 48 5.993 4.469 2.454 1.00 0.00 N ATOM 694 CA SER A 48 7.068 3.497 2.106 1.00 0.00 C ATOM 695 C SER A 48 6.654 2.081 2.503 1.00 0.00 C ATOM 696 O SER A 48 5.740 1.877 3.276 1.00 0.00 O ATOM 697 CB SER A 48 8.358 3.872 2.832 1.00 0.00 C ATOM 698 OG SER A 48 8.224 5.176 3.382 1.00 0.00 O ATOM 0 H SER A 48 5.365 4.181 3.205 1.00 0.00 H new ATOM 0 HA SER A 48 7.232 3.529 1.029 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.567 3.151 3.622 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.200 3.841 2.141 1.00 0.00 H new ATOM 0 HG SER A 48 7.497 5.181 4.039 1.00 0.00 H new ATOM 704 N LEU A 49 7.332 1.105 1.973 1.00 0.00 N ATOM 705 CA LEU A 49 7.004 -0.314 2.290 1.00 0.00 C ATOM 706 C LEU A 49 6.643 -0.455 3.757 1.00 0.00 C ATOM 707 O LEU A 49 5.751 -1.190 4.125 1.00 0.00 O ATOM 708 CB LEU A 49 8.233 -1.172 2.003 1.00 0.00 C ATOM 709 CG LEU A 49 8.256 -1.627 0.540 1.00 0.00 C ATOM 710 CD1 LEU A 49 7.511 -0.641 -0.369 1.00 0.00 C ATOM 711 CD2 LEU A 49 9.709 -1.716 0.087 1.00 0.00 C ATOM 0 H LEU A 49 8.110 1.230 1.325 1.00 0.00 H new ATOM 0 HA LEU A 49 6.158 -0.633 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.137 -0.605 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.234 -2.043 2.658 1.00 0.00 H new ATOM 0 HG LEU A 49 7.759 -2.595 0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.548 -0.996 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.472 -0.565 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.983 0.340 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.747 -2.039 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.180 -0.737 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.241 -2.436 0.710 1.00 0.00 H new ATOM 723 N TYR A 50 7.332 0.243 4.594 1.00 0.00 N ATOM 724 CA TYR A 50 7.031 0.151 6.049 1.00 0.00 C ATOM 725 C TYR A 50 5.570 0.528 6.265 1.00 0.00 C ATOM 726 O TYR A 50 4.842 -0.112 7.000 1.00 0.00 O ATOM 727 CB TYR A 50 7.952 1.097 6.840 1.00 0.00 C ATOM 728 CG TYR A 50 7.416 2.516 6.823 1.00 0.00 C ATOM 729 CD1 TYR A 50 6.302 2.858 7.604 1.00 0.00 C ATOM 730 CD2 TYR A 50 8.042 3.492 6.037 1.00 0.00 C ATOM 731 CE1 TYR A 50 5.814 4.170 7.595 1.00 0.00 C ATOM 732 CE2 TYR A 50 7.555 4.806 6.031 1.00 0.00 C ATOM 733 CZ TYR A 50 6.440 5.145 6.808 1.00 0.00 C ATOM 734 OH TYR A 50 5.962 6.440 6.801 1.00 0.00 O ATOM 0 H TYR A 50 8.092 0.876 4.343 1.00 0.00 H new ATOM 0 HA TYR A 50 7.205 -0.865 6.403 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.039 0.749 7.869 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.954 1.078 6.411 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.820 2.108 8.213 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.900 3.232 5.435 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.955 4.430 8.195 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.040 5.558 5.427 1.00 0.00 H new ATOM 0 HH TYR A 50 6.512 6.988 6.203 1.00 0.00 H new ATOM 744 N GLN A 51 5.148 1.566 5.617 1.00 0.00 N ATOM 745 CA GLN A 51 3.743 2.025 5.747 1.00 0.00 C ATOM 746 C GLN A 51 2.830 1.051 5.001 1.00 0.00 C ATOM 747 O GLN A 51 1.772 0.687 5.475 1.00 0.00 O ATOM 748 CB GLN A 51 3.643 3.428 5.141 1.00 0.00 C ATOM 749 CG GLN A 51 2.186 3.827 4.941 1.00 0.00 C ATOM 750 CD GLN A 51 1.799 4.888 5.972 1.00 0.00 C ATOM 751 OE1 GLN A 51 0.884 4.615 6.861 1.00 0.00 O flip ATOM 752 NE2 GLN A 51 2.335 5.979 5.968 1.00 0.00 N flip ATOM 0 H GLN A 51 5.725 2.128 4.991 1.00 0.00 H new ATOM 0 HA GLN A 51 3.437 2.057 6.793 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.136 4.148 5.795 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.167 3.455 4.185 1.00 0.00 H new ATOM 0 HG2 GLN A 51 2.040 4.215 3.933 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.542 2.954 5.043 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.050 6.193 5.273 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.069 6.680 6.659 1.00 0.00 H new ATOM 761 N LEU A 52 3.235 0.614 3.839 1.00 0.00 N ATOM 762 CA LEU A 52 2.395 -0.347 3.074 1.00 0.00 C ATOM 763 C LEU A 52 2.507 -1.729 3.718 1.00 0.00 C ATOM 764 O LEU A 52 1.710 -2.609 3.465 1.00 0.00 O ATOM 765 CB LEU A 52 2.884 -0.416 1.626 1.00 0.00 C ATOM 766 CG LEU A 52 2.740 0.960 0.972 1.00 0.00 C ATOM 767 CD1 LEU A 52 4.112 1.452 0.510 1.00 0.00 C ATOM 768 CD2 LEU A 52 1.807 0.852 -0.237 1.00 0.00 C ATOM 0 H LEU A 52 4.110 0.881 3.388 1.00 0.00 H new ATOM 0 HA LEU A 52 1.356 -0.018 3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.925 -0.737 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.307 -1.156 1.071 1.00 0.00 H new ATOM 0 HG LEU A 52 2.325 1.664 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.009 2.432 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.780 1.526 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.526 0.749 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.703 1.831 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.225 0.148 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.828 0.500 0.089 1.00 0.00 H new ATOM 780 N GLU A 53 3.491 -1.921 4.554 1.00 0.00 N ATOM 781 CA GLU A 53 3.652 -3.244 5.220 1.00 0.00 C ATOM 782 C GLU A 53 2.527 -3.430 6.232 1.00 0.00 C ATOM 783 O GLU A 53 2.118 -4.534 6.533 1.00 0.00 O ATOM 784 CB GLU A 53 5.000 -3.297 5.943 1.00 0.00 C ATOM 785 CG GLU A 53 5.163 -4.660 6.615 1.00 0.00 C ATOM 786 CD GLU A 53 6.650 -5.010 6.710 1.00 0.00 C ATOM 787 OE1 GLU A 53 7.338 -4.376 7.492 1.00 0.00 O ATOM 788 OE2 GLU A 53 7.074 -5.906 5.999 1.00 0.00 O ATOM 0 H GLU A 53 4.189 -1.220 4.804 1.00 0.00 H new ATOM 0 HA GLU A 53 3.614 -4.037 4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.812 -3.129 5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.057 -2.503 6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.719 -4.642 7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.635 -5.424 6.044 1.00 0.00 H new ATOM 795 N ASN A 54 2.022 -2.351 6.752 1.00 0.00 N ATOM 796 CA ASN A 54 0.915 -2.447 7.740 1.00 0.00 C ATOM 797 C ASN A 54 -0.419 -2.435 6.999 1.00 0.00 C ATOM 798 O ASN A 54 -1.461 -2.695 7.569 1.00 0.00 O ATOM 799 CB ASN A 54 0.978 -1.253 8.696 1.00 0.00 C ATOM 800 CG ASN A 54 2.083 -1.481 9.729 1.00 0.00 C ATOM 801 OD1 ASN A 54 2.377 -2.604 10.084 1.00 0.00 O ATOM 802 ND2 ASN A 54 2.712 -0.453 10.230 1.00 0.00 N ATOM 0 H ASN A 54 2.329 -1.403 6.535 1.00 0.00 H new ATOM 0 HA ASN A 54 1.011 -3.371 8.310 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.171 -0.337 8.138 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.019 -1.124 9.197 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.450 -0.593 10.920 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.465 0.491 9.932 1.00 0.00 H new ATOM 809 N TYR A 55 -0.397 -2.138 5.728 1.00 0.00 N ATOM 810 CA TYR A 55 -1.659 -2.113 4.951 1.00 0.00 C ATOM 811 C TYR A 55 -1.897 -3.510 4.371 1.00 0.00 C ATOM 812 O TYR A 55 -2.864 -3.754 3.677 1.00 0.00 O ATOM 813 CB TYR A 55 -1.512 -1.103 3.812 1.00 0.00 C ATOM 814 CG TYR A 55 -1.620 0.300 4.373 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.563 0.595 5.366 1.00 0.00 C ATOM 816 CD2 TYR A 55 -0.761 1.306 3.907 1.00 0.00 C ATOM 817 CE1 TYR A 55 -2.646 1.891 5.891 1.00 0.00 C ATOM 818 CE2 TYR A 55 -0.845 2.601 4.429 1.00 0.00 C ATOM 819 CZ TYR A 55 -1.788 2.894 5.423 1.00 0.00 C ATOM 820 OH TYR A 55 -1.870 4.171 5.941 1.00 0.00 O ATOM 0 H TYR A 55 0.444 -1.912 5.197 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.498 -1.828 5.586 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.551 -1.235 3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.285 -1.268 3.062 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.226 -0.177 5.727 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.032 1.080 3.143 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.372 2.117 6.658 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.184 3.374 4.066 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.998 4.434 6.303 1.00 0.00 H new ATOM 830 N CYS A 56 -1.007 -4.428 4.650 1.00 0.00 N ATOM 831 CA CYS A 56 -1.149 -5.811 4.120 1.00 0.00 C ATOM 832 C CYS A 56 -1.933 -6.680 5.107 1.00 0.00 C ATOM 833 O CYS A 56 -2.558 -6.186 6.023 1.00 0.00 O ATOM 834 CB CYS A 56 0.243 -6.406 3.919 1.00 0.00 C ATOM 835 SG CYS A 56 0.701 -6.267 2.180 1.00 0.00 S ATOM 0 H CYS A 56 -0.181 -4.273 5.228 1.00 0.00 H new ATOM 0 HA CYS A 56 -1.688 -5.781 3.173 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.969 -5.883 4.542 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.253 -7.451 4.228 1.00 0.00 H new ATOM 840 N ASN A 57 -1.894 -7.975 4.917 1.00 0.00 N ATOM 841 CA ASN A 57 -2.626 -8.903 5.828 1.00 0.00 C ATOM 842 C ASN A 57 -2.530 -8.401 7.270 1.00 0.00 C ATOM 843 O ASN A 57 -3.408 -7.659 7.677 1.00 0.00 O ATOM 844 CB ASN A 57 -2.003 -10.298 5.733 1.00 0.00 C ATOM 845 CG ASN A 57 -3.049 -11.354 6.098 1.00 0.00 C ATOM 846 OD1 ASN A 57 -4.235 -11.099 6.038 1.00 0.00 O ATOM 847 ND2 ASN A 57 -2.656 -12.540 6.477 1.00 0.00 N ATOM 848 OXT ASN A 57 -1.579 -8.765 7.941 1.00 0.00 O ATOM 0 H ASN A 57 -1.381 -8.431 4.163 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.675 -8.945 5.533 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.632 -10.473 4.723 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.148 -10.372 6.405 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.345 -13.251 6.722 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.660 -12.755 6.528 1.00 0.00 H new TER 855 ASN A 57