USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 726 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 53 SER OG : rot -95:sc= 0.545 USER MOD Set 1.2: A 67 SER OG : rot 110:sc= 0.985 USER MOD Set 2.1: A 7 GLN : amide:sc= -0.729 K(o=-3.5,f=-6.3!) USER MOD Set 2.2: A 10 GLN :FLIP amide:sc= -4! C(o=-8.6!,f=-3.5!) USER MOD Set 2.3: A 11 TYR OH : rot 135:sc= 1.23 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 9 SER OG : rot -32:sc= 0.636 USER MOD Single : A 12 ASN : amide:sc= -1.42! K(o=-1.4!,f=-2.8) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0455 USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= -0.212 (180deg=-0.946) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -178:sc= -2.07! USER MOD Single : A 40 SER OG : rot 180:sc= 0.0845 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -144:sc= -2.92! (180deg=-7.2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 59 MET CE :methyl -140:sc= -0.165 (180deg=-1.6) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -1.35 F(o=-2.4!,f=-1.4) USER MOD Single : A 69 SER OG : rot -23:sc= 0.474! USER MOD Single : A 74 THR OG1 : rot 180:sc= -1.94! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0188 X(o=-0.019,f=-0.17) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 86 THR OG1 : rot 5:sc= 1.15 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 0 -8.975 -11.960 -7.928 1.00 0.00 N ATOM 9 CA PRO A 0 -9.567 -11.389 -6.730 1.00 0.00 C ATOM 10 C PRO A 0 -10.515 -10.241 -7.080 1.00 0.00 C ATOM 11 O PRO A 0 -10.928 -10.101 -8.230 1.00 0.00 O ATOM 12 CB PRO A 0 -8.387 -10.947 -5.880 1.00 0.00 C ATOM 13 CG PRO A 0 -7.201 -10.860 -6.827 1.00 0.00 C ATOM 14 CD PRO A 0 -7.581 -11.571 -8.116 1.00 0.00 C ATOM 0 H2 PRO A 0 -9.517 -11.668 -8.741 1.00 0.00 H new ATOM 0 H3 PRO A 0 -9.035 -12.977 -7.879 1.00 0.00 H new ATOM 0 HA PRO A 0 -10.187 -12.102 -6.187 1.00 0.00 H new ATOM 0 HB2 PRO A 0 -8.583 -9.983 -5.410 1.00 0.00 H new ATOM 0 HB3 PRO A 0 -8.195 -11.659 -5.078 1.00 0.00 H new ATOM 0 HG2 PRO A 0 -6.947 -9.819 -7.026 1.00 0.00 H new ATOM 0 HG3 PRO A 0 -6.321 -11.323 -6.381 1.00 0.00 H new ATOM 0 HD2 PRO A 0 -7.466 -10.915 -8.979 1.00 0.00 H new ATOM 0 HD3 PRO A 0 -6.947 -12.441 -8.290 1.00 0.00 H new ATOM 22 N MET A 1 -10.833 -9.448 -6.067 1.00 0.00 N ATOM 23 CA MET A 1 -11.725 -8.317 -6.253 1.00 0.00 C ATOM 24 C MET A 1 -11.079 -7.250 -7.140 1.00 0.00 C ATOM 25 O MET A 1 -11.771 -6.552 -7.881 1.00 0.00 O ATOM 26 CB MET A 1 -12.069 -7.708 -4.892 1.00 0.00 C ATOM 27 CG MET A 1 -13.002 -8.628 -4.101 1.00 0.00 C ATOM 28 SD MET A 1 -13.994 -7.666 -2.971 1.00 0.00 S ATOM 29 CE MET A 1 -13.136 -8.000 -1.442 1.00 0.00 C ATOM 0 H MET A 1 -10.488 -9.567 -5.114 1.00 0.00 H new ATOM 0 HA MET A 1 -12.632 -8.671 -6.743 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.154 -7.536 -4.324 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.543 -6.737 -5.033 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.647 -9.180 -4.784 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.418 -9.364 -3.549 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.628 -7.472 -0.626 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.152 -9.071 -1.243 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.103 -7.661 -1.523 1.00 0.00 H new ATOM 39 N GLU A 2 -9.762 -7.158 -7.036 1.00 0.00 N ATOM 40 CA GLU A 2 -9.015 -6.188 -7.820 1.00 0.00 C ATOM 41 C GLU A 2 -9.577 -4.782 -7.600 1.00 0.00 C ATOM 42 O GLU A 2 -10.673 -4.469 -8.062 1.00 0.00 O ATOM 43 CB GLU A 2 -9.028 -6.557 -9.305 1.00 0.00 C ATOM 44 CG GLU A 2 -8.467 -7.964 -9.525 1.00 0.00 C ATOM 45 CD GLU A 2 -9.430 -8.814 -10.357 1.00 0.00 C ATOM 46 OE1 GLU A 2 -10.168 -8.209 -11.164 1.00 0.00 O ATOM 47 OE2 GLU A 2 -9.406 -10.049 -10.167 1.00 0.00 O ATOM 0 H GLU A 2 -9.192 -7.739 -6.421 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.978 -6.200 -7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.047 -6.504 -9.688 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.438 -5.834 -9.868 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.503 -7.900 -10.030 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.291 -8.444 -8.562 1.00 0.00 H new ATOM 54 N PHE A 3 -8.801 -3.973 -6.894 1.00 0.00 N ATOM 55 CA PHE A 3 -9.207 -2.608 -6.607 1.00 0.00 C ATOM 56 C PHE A 3 -8.368 -1.607 -7.404 1.00 0.00 C ATOM 57 O PHE A 3 -7.140 -1.672 -7.391 1.00 0.00 O ATOM 58 CB PHE A 3 -8.973 -2.376 -5.113 1.00 0.00 C ATOM 59 CG PHE A 3 -9.867 -3.222 -4.204 1.00 0.00 C ATOM 60 CD1 PHE A 3 -9.464 -4.463 -3.818 1.00 0.00 C ATOM 61 CD2 PHE A 3 -11.064 -2.734 -3.782 1.00 0.00 C ATOM 62 CE1 PHE A 3 -10.294 -5.248 -2.975 1.00 0.00 C ATOM 63 CE2 PHE A 3 -11.893 -3.519 -2.938 1.00 0.00 C ATOM 64 CZ PHE A 3 -11.491 -4.759 -2.552 1.00 0.00 C ATOM 0 H PHE A 3 -7.893 -4.237 -6.512 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.252 -2.465 -6.882 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.930 -2.591 -4.881 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.138 -1.322 -4.889 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -8.513 -4.851 -4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -11.384 -1.749 -4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -9.975 -6.234 -2.669 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.843 -3.131 -2.602 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.122 -5.356 -1.910 1.00 0.00 H new ATOM 74 N THR A 4 -9.065 -0.705 -8.080 1.00 0.00 N ATOM 75 CA THR A 4 -8.400 0.308 -8.881 1.00 0.00 C ATOM 76 C THR A 4 -7.858 1.425 -7.987 1.00 0.00 C ATOM 77 O THR A 4 -8.337 1.618 -6.870 1.00 0.00 O ATOM 78 CB THR A 4 -9.391 0.802 -9.937 1.00 0.00 C ATOM 79 OG1 THR A 4 -10.422 1.430 -9.178 1.00 0.00 O ATOM 80 CG2 THR A 4 -10.104 -0.346 -10.654 1.00 0.00 C ATOM 0 H THR A 4 -10.084 -0.655 -8.089 1.00 0.00 H new ATOM 0 HA THR A 4 -7.532 -0.103 -9.396 1.00 0.00 H new ATOM 0 HB THR A 4 -8.866 1.416 -10.668 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.107 1.781 -9.784 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.795 0.060 -11.392 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.368 -0.976 -11.154 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.657 -0.941 -9.927 1.00 0.00 H new ATOM 88 N ALA A 5 -6.867 2.130 -8.511 1.00 0.00 N ATOM 89 CA ALA A 5 -6.255 3.223 -7.774 1.00 0.00 C ATOM 90 C ALA A 5 -7.343 4.193 -7.311 1.00 0.00 C ATOM 91 O ALA A 5 -7.196 4.852 -6.283 1.00 0.00 O ATOM 92 CB ALA A 5 -5.201 3.903 -8.650 1.00 0.00 C ATOM 0 H ALA A 5 -6.472 1.966 -9.437 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.747 2.849 -6.885 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.742 4.723 -8.097 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.435 3.178 -8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.674 4.293 -9.551 1.00 0.00 H new ATOM 98 N GLU A 6 -8.411 4.252 -8.094 1.00 0.00 N ATOM 99 CA GLU A 6 -9.523 5.131 -7.777 1.00 0.00 C ATOM 100 C GLU A 6 -10.299 4.593 -6.573 1.00 0.00 C ATOM 101 O GLU A 6 -10.611 5.340 -5.647 1.00 0.00 O ATOM 102 CB GLU A 6 -10.443 5.308 -8.987 1.00 0.00 C ATOM 103 CG GLU A 6 -9.984 6.479 -9.858 1.00 0.00 C ATOM 104 CD GLU A 6 -8.540 6.282 -10.324 1.00 0.00 C ATOM 105 OE1 GLU A 6 -7.637 6.543 -9.500 1.00 0.00 O ATOM 106 OE2 GLU A 6 -8.371 5.876 -11.494 1.00 0.00 O ATOM 0 H GLU A 6 -8.529 3.705 -8.947 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.123 6.112 -7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.453 4.392 -9.578 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.465 5.480 -8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.640 6.572 -10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.065 7.409 -9.295 1.00 0.00 H new ATOM 113 N GLN A 7 -10.588 3.301 -6.624 1.00 0.00 N ATOM 114 CA GLN A 7 -11.321 2.654 -5.549 1.00 0.00 C ATOM 115 C GLN A 7 -10.423 2.484 -4.322 1.00 0.00 C ATOM 116 O GLN A 7 -10.879 2.636 -3.190 1.00 0.00 O ATOM 117 CB GLN A 7 -11.888 1.308 -6.005 1.00 0.00 C ATOM 118 CG GLN A 7 -13.378 1.424 -6.331 1.00 0.00 C ATOM 119 CD GLN A 7 -14.236 0.990 -5.141 1.00 0.00 C ATOM 120 OE1 GLN A 7 -13.787 0.307 -4.235 1.00 0.00 O ATOM 121 NE2 GLN A 7 -15.492 1.423 -5.193 1.00 0.00 N ATOM 0 H GLN A 7 -10.328 2.684 -7.394 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.162 3.291 -5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.346 0.960 -6.884 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -11.740 0.563 -5.223 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.616 2.453 -6.599 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.613 0.806 -7.198 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.803 1.991 -5.981 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -16.144 1.187 -4.445 1.00 0.00 H new ATOM 130 N LEU A 8 -9.163 2.172 -4.589 1.00 0.00 N ATOM 131 CA LEU A 8 -8.198 1.979 -3.520 1.00 0.00 C ATOM 132 C LEU A 8 -7.985 3.305 -2.786 1.00 0.00 C ATOM 133 O LEU A 8 -7.668 3.316 -1.597 1.00 0.00 O ATOM 134 CB LEU A 8 -6.908 1.366 -4.068 1.00 0.00 C ATOM 135 CG LEU A 8 -5.682 1.459 -3.157 1.00 0.00 C ATOM 136 CD1 LEU A 8 -5.432 0.131 -2.438 1.00 0.00 C ATOM 137 CD2 LEU A 8 -4.452 1.928 -3.938 1.00 0.00 C ATOM 0 H LEU A 8 -8.788 2.048 -5.530 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.577 1.266 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.094 0.315 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.671 1.853 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.882 2.208 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.555 0.224 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.301 -0.123 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.262 -0.655 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.595 1.985 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.239 1.221 -4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.645 2.912 -4.365 1.00 0.00 H new ATOM 149 N SER A 9 -8.169 4.390 -3.524 1.00 0.00 N ATOM 150 CA SER A 9 -8.001 5.717 -2.958 1.00 0.00 C ATOM 151 C SER A 9 -9.227 6.088 -2.122 1.00 0.00 C ATOM 152 O SER A 9 -9.308 7.193 -1.588 1.00 0.00 O ATOM 153 CB SER A 9 -7.772 6.759 -4.055 1.00 0.00 C ATOM 154 OG SER A 9 -7.597 8.068 -3.520 1.00 0.00 O ATOM 0 H SER A 9 -8.433 4.377 -4.509 1.00 0.00 H new ATOM 0 HA SER A 9 -7.121 5.706 -2.316 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.892 6.485 -4.637 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.620 6.757 -4.739 1.00 0.00 H new ATOM 0 HG SER A 9 -8.129 8.161 -2.702 1.00 0.00 H new ATOM 160 N GLN A 10 -10.152 5.143 -2.034 1.00 0.00 N ATOM 161 CA GLN A 10 -11.370 5.357 -1.272 1.00 0.00 C ATOM 162 C GLN A 10 -11.259 4.695 0.104 1.00 0.00 C ATOM 163 O GLN A 10 -12.206 4.722 0.888 1.00 0.00 O ATOM 164 CB GLN A 10 -12.591 4.837 -2.033 1.00 0.00 C ATOM 165 CG GLN A 10 -12.454 5.097 -3.534 1.00 0.00 C ATOM 166 CD GLN A 10 -13.733 4.708 -4.278 1.00 0.00 C ATOM 167 OE1 GLN A 10 -14.173 3.486 -3.994 1.00 0.00 O flip ATOM 168 NE2 GLN A 10 -14.284 5.468 -5.057 1.00 0.00 N flip ATOM 0 H GLN A 10 -10.082 4.227 -2.478 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.502 6.429 -1.128 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.707 3.768 -1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.492 5.322 -1.657 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.236 6.151 -3.705 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.612 4.529 -3.930 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.892 6.394 -5.229 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.137 5.178 -5.536 1.00 0.00 H new ATOM 177 N TYR A 11 -10.093 4.117 0.354 1.00 0.00 N ATOM 178 CA TYR A 11 -9.846 3.450 1.621 1.00 0.00 C ATOM 179 C TYR A 11 -8.530 3.923 2.242 1.00 0.00 C ATOM 180 O TYR A 11 -7.632 3.119 2.490 1.00 0.00 O ATOM 181 CB TYR A 11 -9.737 1.958 1.298 1.00 0.00 C ATOM 182 CG TYR A 11 -10.915 1.408 0.492 1.00 0.00 C ATOM 183 CD1 TYR A 11 -12.167 1.326 1.069 1.00 0.00 C ATOM 184 CD2 TYR A 11 -10.728 0.993 -0.810 1.00 0.00 C ATOM 185 CE1 TYR A 11 -13.276 0.809 0.311 1.00 0.00 C ATOM 186 CE2 TYR A 11 -11.837 0.475 -1.568 1.00 0.00 C ATOM 187 CZ TYR A 11 -13.057 0.409 -0.970 1.00 0.00 C ATOM 188 OH TYR A 11 -14.105 -0.081 -1.686 1.00 0.00 O ATOM 0 H TYR A 11 -9.310 4.097 -0.299 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.644 3.667 2.331 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.816 1.784 0.741 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.656 1.400 2.231 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.314 1.650 2.089 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.749 1.057 -1.261 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.260 0.740 0.750 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -11.703 0.146 -2.588 1.00 0.00 H new ATOM 0 HH TYR A 11 -14.097 0.308 -2.585 1.00 0.00 H new ATOM 198 N ASN A 12 -8.457 5.225 2.475 1.00 0.00 N ATOM 199 CA ASN A 12 -7.266 5.814 3.062 1.00 0.00 C ATOM 200 C ASN A 12 -7.601 6.349 4.456 1.00 0.00 C ATOM 201 O ASN A 12 -6.805 7.069 5.056 1.00 0.00 O ATOM 202 CB ASN A 12 -6.756 6.984 2.218 1.00 0.00 C ATOM 203 CG ASN A 12 -7.631 8.223 2.413 1.00 0.00 C ATOM 204 OD1 ASN A 12 -8.479 8.551 1.598 1.00 0.00 O ATOM 205 ND2 ASN A 12 -7.380 8.892 3.534 1.00 0.00 N ATOM 0 H ASN A 12 -9.203 5.889 2.268 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.498 5.042 3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.727 7.214 2.493 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -6.749 6.702 1.165 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -7.911 9.734 3.755 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -6.656 8.563 4.173 1.00 0.00 H new ATOM 212 N GLY A 13 -8.780 5.975 4.931 1.00 0.00 N ATOM 213 CA GLY A 13 -9.229 6.408 6.243 1.00 0.00 C ATOM 214 C GLY A 13 -9.841 7.809 6.179 1.00 0.00 C ATOM 215 O GLY A 13 -9.540 8.661 7.013 1.00 0.00 O ATOM 0 H GLY A 13 -9.438 5.377 4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.965 5.703 6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.389 6.406 6.938 1.00 0.00 H new ATOM 219 N THR A 14 -10.690 8.003 5.180 1.00 0.00 N ATOM 220 CA THR A 14 -11.347 9.286 4.995 1.00 0.00 C ATOM 221 C THR A 14 -12.844 9.166 5.286 1.00 0.00 C ATOM 222 O THR A 14 -13.517 10.168 5.522 1.00 0.00 O ATOM 223 CB THR A 14 -11.040 9.775 3.578 1.00 0.00 C ATOM 224 OG1 THR A 14 -10.827 11.175 3.733 1.00 0.00 O ATOM 225 CG2 THR A 14 -12.254 9.683 2.652 1.00 0.00 C ATOM 0 H THR A 14 -10.938 7.293 4.491 1.00 0.00 H new ATOM 0 HA THR A 14 -10.970 10.028 5.699 1.00 0.00 H new ATOM 0 HB THR A 14 -10.220 9.190 3.161 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.620 11.573 2.862 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.982 10.042 1.659 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.583 8.646 2.585 1.00 0.00 H new ATOM 0 HG23 THR A 14 -13.063 10.295 3.051 1.00 0.00 H new ATOM 293 N PRO A 19 -13.145 0.762 4.568 1.00 0.00 N ATOM 294 CA PRO A 19 -11.953 0.225 5.202 1.00 0.00 C ATOM 295 C PRO A 19 -10.696 0.932 4.692 1.00 0.00 C ATOM 296 O PRO A 19 -10.786 1.953 4.012 1.00 0.00 O ATOM 297 CB PRO A 19 -11.971 -1.261 4.880 1.00 0.00 C ATOM 298 CG PRO A 19 -12.913 -1.420 3.698 1.00 0.00 C ATOM 299 CD PRO A 19 -13.701 -0.128 3.553 1.00 0.00 C ATOM 0 HA PRO A 19 -11.941 0.385 6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.971 -1.619 4.634 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.316 -1.842 5.735 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.351 -1.629 2.788 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.586 -2.262 3.857 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.590 0.293 2.554 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.766 -0.294 3.713 1.00 0.00 H new ATOM 307 N ILE A 20 -9.552 0.360 5.039 1.00 0.00 N ATOM 308 CA ILE A 20 -8.278 0.922 4.625 1.00 0.00 C ATOM 309 C ILE A 20 -7.497 -0.126 3.830 1.00 0.00 C ATOM 310 O ILE A 20 -7.210 -1.209 4.339 1.00 0.00 O ATOM 311 CB ILE A 20 -7.517 1.472 5.833 1.00 0.00 C ATOM 312 CG1 ILE A 20 -8.382 2.454 6.626 1.00 0.00 C ATOM 313 CG2 ILE A 20 -6.187 2.096 5.405 1.00 0.00 C ATOM 314 CD1 ILE A 20 -8.858 1.828 7.938 1.00 0.00 C ATOM 0 H ILE A 20 -9.481 -0.487 5.602 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.434 1.773 3.962 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.284 0.640 6.497 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.812 3.359 6.836 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.243 2.752 6.027 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.666 2.479 6.282 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.571 1.340 4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.376 2.914 4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.471 2.546 8.483 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.448 0.937 7.723 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.995 1.554 8.545 1.00 0.00 H new ATOM 326 N TYR A 21 -7.174 0.232 2.596 1.00 0.00 N ATOM 327 CA TYR A 21 -6.432 -0.665 1.727 1.00 0.00 C ATOM 328 C TYR A 21 -5.181 0.020 1.172 1.00 0.00 C ATOM 329 O TYR A 21 -5.252 1.147 0.682 1.00 0.00 O ATOM 330 CB TYR A 21 -7.371 -1.001 0.567 1.00 0.00 C ATOM 331 CG TYR A 21 -8.614 -1.792 0.982 1.00 0.00 C ATOM 332 CD1 TYR A 21 -8.595 -2.552 2.134 1.00 0.00 C ATOM 333 CD2 TYR A 21 -9.753 -1.745 0.205 1.00 0.00 C ATOM 334 CE1 TYR A 21 -9.765 -3.295 2.525 1.00 0.00 C ATOM 335 CE2 TYR A 21 -10.923 -2.488 0.595 1.00 0.00 C ATOM 336 CZ TYR A 21 -10.871 -3.227 1.736 1.00 0.00 C ATOM 337 OH TYR A 21 -11.975 -3.929 2.105 1.00 0.00 O ATOM 0 H TYR A 21 -7.413 1.131 2.177 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.110 -1.551 2.275 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.686 -0.074 0.088 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.820 -1.574 -0.179 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.703 -2.589 2.742 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.767 -1.150 -0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.764 -3.893 3.424 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.821 -2.459 -0.004 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.688 -3.785 1.449 1.00 0.00 H new ATOM 347 N VAL A 22 -4.066 -0.688 1.267 1.00 0.00 N ATOM 348 CA VAL A 22 -2.802 -0.162 0.781 1.00 0.00 C ATOM 349 C VAL A 22 -2.377 -0.940 -0.467 1.00 0.00 C ATOM 350 O VAL A 22 -2.721 -2.111 -0.620 1.00 0.00 O ATOM 351 CB VAL A 22 -1.755 -0.203 1.896 1.00 0.00 C ATOM 352 CG1 VAL A 22 -0.527 0.633 1.526 1.00 0.00 C ATOM 353 CG2 VAL A 22 -2.352 0.260 3.226 1.00 0.00 C ATOM 0 H VAL A 22 -4.011 -1.622 1.673 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.909 0.884 0.492 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.433 -1.238 2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.202 0.587 2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.081 0.239 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.827 1.669 1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.587 0.221 4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.715 1.283 3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.180 -0.394 3.500 1.00 0.00 H new ATOM 363 N ALA A 23 -1.634 -0.258 -1.326 1.00 0.00 N ATOM 364 CA ALA A 23 -1.159 -0.870 -2.555 1.00 0.00 C ATOM 365 C ALA A 23 0.362 -1.020 -2.490 1.00 0.00 C ATOM 366 O ALA A 23 1.062 -0.103 -2.063 1.00 0.00 O ATOM 367 CB ALA A 23 -1.611 -0.031 -3.752 1.00 0.00 C ATOM 0 H ALA A 23 -1.349 0.713 -1.195 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.584 -1.866 -2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.254 -0.491 -4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.700 0.021 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.201 0.975 -3.666 1.00 0.00 H new ATOM 373 N ILE A 24 0.829 -2.183 -2.919 1.00 0.00 N ATOM 374 CA ILE A 24 2.255 -2.465 -2.914 1.00 0.00 C ATOM 375 C ILE A 24 2.604 -3.325 -4.131 1.00 0.00 C ATOM 376 O ILE A 24 2.210 -4.488 -4.207 1.00 0.00 O ATOM 377 CB ILE A 24 2.674 -3.087 -1.581 1.00 0.00 C ATOM 378 CG1 ILE A 24 2.219 -2.221 -0.405 1.00 0.00 C ATOM 379 CG2 ILE A 24 4.180 -3.353 -1.549 1.00 0.00 C ATOM 380 CD1 ILE A 24 2.543 -2.895 0.930 1.00 0.00 C ATOM 0 H ILE A 24 0.246 -2.941 -3.272 1.00 0.00 H new ATOM 0 HA ILE A 24 2.826 -1.541 -3.001 1.00 0.00 H new ATOM 0 HB ILE A 24 2.175 -4.051 -1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.709 -1.249 -0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.146 -2.041 -0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.451 -3.795 -0.590 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.445 -4.039 -2.353 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.718 -2.414 -1.681 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.209 -2.258 1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.032 -3.856 0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.619 -3.051 1.007 1.00 0.00 H new ATOM 392 N LYS A 25 3.340 -2.720 -5.052 1.00 0.00 N ATOM 393 CA LYS A 25 3.746 -3.416 -6.261 1.00 0.00 C ATOM 394 C LYS A 25 2.505 -3.767 -7.084 1.00 0.00 C ATOM 395 O LYS A 25 2.573 -4.590 -7.995 1.00 0.00 O ATOM 396 CB LYS A 25 4.618 -4.625 -5.915 1.00 0.00 C ATOM 397 CG LYS A 25 5.650 -4.269 -4.843 1.00 0.00 C ATOM 398 CD LYS A 25 5.724 -5.358 -3.771 1.00 0.00 C ATOM 399 CE LYS A 25 6.617 -6.514 -4.225 1.00 0.00 C ATOM 400 NZ LYS A 25 5.902 -7.368 -5.200 1.00 0.00 N ATOM 0 H LYS A 25 3.666 -1.756 -4.985 1.00 0.00 H new ATOM 0 HA LYS A 25 4.368 -2.771 -6.882 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.989 -5.442 -5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.127 -4.979 -6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.629 -4.140 -5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.387 -3.317 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.113 -4.935 -2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.722 -5.730 -3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.529 -6.122 -4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.918 -7.109 -3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.326 -8.318 -5.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.900 -7.438 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.978 -6.949 -6.149 1.00 0.00 H new ATOM 414 N GLY A 26 1.401 -3.125 -6.733 1.00 0.00 N ATOM 415 CA GLY A 26 0.146 -3.360 -7.428 1.00 0.00 C ATOM 416 C GLY A 26 -0.730 -4.350 -6.658 1.00 0.00 C ATOM 417 O GLY A 26 -1.683 -4.899 -7.209 1.00 0.00 O ATOM 0 H GLY A 26 1.349 -2.442 -5.977 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.387 -2.417 -7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.346 -3.747 -8.427 1.00 0.00 H new ATOM 421 N ARG A 27 -0.377 -4.547 -5.396 1.00 0.00 N ATOM 422 CA ARG A 27 -1.120 -5.461 -4.546 1.00 0.00 C ATOM 423 C ARG A 27 -1.842 -4.689 -3.439 1.00 0.00 C ATOM 424 O ARG A 27 -1.231 -3.882 -2.740 1.00 0.00 O ATOM 425 CB ARG A 27 -0.192 -6.500 -3.911 1.00 0.00 C ATOM 426 CG ARG A 27 -0.944 -7.799 -3.617 1.00 0.00 C ATOM 427 CD ARG A 27 -0.050 -8.793 -2.872 1.00 0.00 C ATOM 428 NE ARG A 27 0.391 -9.865 -3.793 1.00 0.00 N ATOM 429 CZ ARG A 27 -0.332 -10.956 -4.077 1.00 0.00 C ATOM 430 NH1 ARG A 27 -1.537 -11.127 -3.515 1.00 0.00 N ATOM 431 NH2 ARG A 27 0.148 -11.877 -4.924 1.00 0.00 N ATOM 0 H ARG A 27 0.413 -4.089 -4.942 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.850 -5.975 -5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.644 -6.703 -4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.228 -6.102 -2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.830 -7.583 -3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.289 -8.243 -4.551 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.817 -8.277 -2.460 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.594 -9.225 -2.032 1.00 0.00 H new ATOM 0 HE ARG A 27 1.303 -9.766 -4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.903 -10.426 -2.871 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.087 -11.958 -3.732 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.064 -11.747 -5.353 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.403 -12.708 -5.140 1.00 0.00 H new ATOM 445 N VAL A 28 -3.132 -4.964 -3.315 1.00 0.00 N ATOM 446 CA VAL A 28 -3.943 -4.305 -2.306 1.00 0.00 C ATOM 447 C VAL A 28 -3.856 -5.089 -0.995 1.00 0.00 C ATOM 448 O VAL A 28 -4.165 -6.279 -0.958 1.00 0.00 O ATOM 449 CB VAL A 28 -5.378 -4.144 -2.812 1.00 0.00 C ATOM 450 CG1 VAL A 28 -6.334 -3.832 -1.658 1.00 0.00 C ATOM 451 CG2 VAL A 28 -5.460 -3.069 -3.897 1.00 0.00 C ATOM 0 H VAL A 28 -3.635 -5.634 -3.896 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.567 -3.301 -2.110 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.685 -5.091 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.347 -3.722 -2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.308 -4.646 -0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.028 -2.905 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.491 -2.975 -4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.124 -2.115 -3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.824 -3.350 -4.736 1.00 0.00 H new ATOM 461 N PHE A 29 -3.433 -4.390 0.048 1.00 0.00 N ATOM 462 CA PHE A 29 -3.301 -5.007 1.357 1.00 0.00 C ATOM 463 C PHE A 29 -4.209 -4.321 2.380 1.00 0.00 C ATOM 464 O PHE A 29 -4.492 -3.129 2.264 1.00 0.00 O ATOM 465 CB PHE A 29 -1.844 -4.832 1.789 1.00 0.00 C ATOM 466 CG PHE A 29 -0.871 -5.790 1.097 1.00 0.00 C ATOM 467 CD1 PHE A 29 -0.978 -7.131 1.300 1.00 0.00 C ATOM 468 CD2 PHE A 29 0.100 -5.301 0.280 1.00 0.00 C ATOM 469 CE1 PHE A 29 -0.075 -8.020 0.659 1.00 0.00 C ATOM 470 CE2 PHE A 29 1.002 -6.190 -0.361 1.00 0.00 C ATOM 471 CZ PHE A 29 0.896 -7.531 -0.158 1.00 0.00 C ATOM 0 H PHE A 29 -3.177 -3.403 0.013 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.586 -6.058 1.304 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.536 -3.807 1.585 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.775 -4.977 2.867 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.749 -7.519 1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.185 -4.236 0.119 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.159 -9.085 0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.773 -5.802 -1.010 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.583 -8.207 -0.646 1.00 0.00 H new ATOM 481 N ASP A 30 -4.640 -5.102 3.359 1.00 0.00 N ATOM 482 CA ASP A 30 -5.509 -4.585 4.402 1.00 0.00 C ATOM 483 C ASP A 30 -4.669 -4.227 5.630 1.00 0.00 C ATOM 484 O ASP A 30 -3.903 -5.053 6.124 1.00 0.00 O ATOM 485 CB ASP A 30 -6.544 -5.630 4.825 1.00 0.00 C ATOM 486 CG ASP A 30 -7.038 -5.504 6.267 1.00 0.00 C ATOM 487 OD1 ASP A 30 -6.168 -5.449 7.163 1.00 0.00 O ATOM 488 OD2 ASP A 30 -8.275 -5.464 6.442 1.00 0.00 O ATOM 0 H ASP A 30 -4.403 -6.090 3.452 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.022 -3.708 4.009 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.402 -5.562 4.156 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.113 -6.622 4.690 1.00 0.00 H new ATOM 493 N VAL A 31 -4.843 -2.996 6.088 1.00 0.00 N ATOM 494 CA VAL A 31 -4.110 -2.519 7.248 1.00 0.00 C ATOM 495 C VAL A 31 -5.087 -1.871 8.232 1.00 0.00 C ATOM 496 O VAL A 31 -4.671 -1.279 9.226 1.00 0.00 O ATOM 497 CB VAL A 31 -2.990 -1.574 6.808 1.00 0.00 C ATOM 498 CG1 VAL A 31 -2.101 -2.233 5.752 1.00 0.00 C ATOM 499 CG2 VAL A 31 -3.560 -0.249 6.297 1.00 0.00 C ATOM 0 H VAL A 31 -5.481 -2.315 5.677 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.631 -3.350 7.765 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.371 -1.358 7.679 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.313 -1.540 5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.653 -3.137 6.166 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.702 -2.492 4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.743 0.404 5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.213 -0.438 5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.131 0.232 7.091 1.00 0.00 H new ATOM 509 N THR A 32 -6.368 -2.005 7.919 1.00 0.00 N ATOM 510 CA THR A 32 -7.407 -1.440 8.763 1.00 0.00 C ATOM 511 C THR A 32 -7.203 -1.866 10.218 1.00 0.00 C ATOM 512 O THR A 32 -7.657 -1.187 11.137 1.00 0.00 O ATOM 513 CB THR A 32 -8.762 -1.862 8.190 1.00 0.00 C ATOM 514 OG1 THR A 32 -9.546 -2.165 9.341 1.00 0.00 O ATOM 515 CG2 THR A 32 -8.689 -3.188 7.430 1.00 0.00 C ATOM 0 H THR A 32 -6.709 -2.496 7.093 1.00 0.00 H new ATOM 0 HA THR A 32 -7.364 -0.351 8.768 1.00 0.00 H new ATOM 0 HB THR A 32 -9.134 -1.082 7.525 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.442 -2.446 9.062 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.677 -3.441 7.044 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.989 -3.094 6.600 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.350 -3.975 8.103 1.00 0.00 H new ATOM 523 N THR A 33 -6.520 -2.989 10.382 1.00 0.00 N ATOM 524 CA THR A 33 -6.250 -3.514 11.710 1.00 0.00 C ATOM 525 C THR A 33 -5.539 -2.463 12.564 1.00 0.00 C ATOM 526 O THR A 33 -5.362 -2.651 13.767 1.00 0.00 O ATOM 527 CB THR A 33 -5.452 -4.810 11.553 1.00 0.00 C ATOM 528 OG1 THR A 33 -4.171 -4.378 11.104 1.00 0.00 O ATOM 529 CG2 THR A 33 -5.973 -5.683 10.409 1.00 0.00 C ATOM 0 H THR A 33 -6.145 -3.550 9.617 1.00 0.00 H new ATOM 0 HA THR A 33 -7.174 -3.746 12.239 1.00 0.00 H new ATOM 0 HB THR A 33 -5.488 -5.373 12.486 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.589 -5.156 10.978 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.372 -6.590 10.341 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.013 -5.950 10.599 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.906 -5.132 9.471 1.00 0.00 H new ATOM 537 N GLY A 34 -5.150 -1.379 11.909 1.00 0.00 N ATOM 538 CA GLY A 34 -4.462 -0.297 12.594 1.00 0.00 C ATOM 539 C GLY A 34 -4.652 1.028 11.854 1.00 0.00 C ATOM 540 O GLY A 34 -3.686 1.749 11.607 1.00 0.00 O ATOM 0 H GLY A 34 -5.298 -1.226 10.911 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.841 -0.207 13.612 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.399 -0.527 12.669 1.00 0.00 H new ATOM 544 N LYS A 35 -5.903 1.310 11.520 1.00 0.00 N ATOM 545 CA LYS A 35 -6.231 2.536 10.813 1.00 0.00 C ATOM 546 C LYS A 35 -5.587 3.723 11.533 1.00 0.00 C ATOM 547 O LYS A 35 -5.341 4.763 10.924 1.00 0.00 O ATOM 548 CB LYS A 35 -7.746 2.668 10.644 1.00 0.00 C ATOM 549 CG LYS A 35 -8.353 3.505 11.772 1.00 0.00 C ATOM 550 CD LYS A 35 -9.870 3.319 11.837 1.00 0.00 C ATOM 551 CE LYS A 35 -10.402 3.643 13.235 1.00 0.00 C ATOM 552 NZ LYS A 35 -11.865 3.861 13.194 1.00 0.00 N ATOM 0 H LYS A 35 -6.702 0.710 11.726 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.821 2.515 9.803 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.969 3.131 9.683 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.202 1.678 10.635 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.907 3.217 12.724 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.118 4.558 11.615 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.351 3.964 11.102 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.126 2.292 11.575 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.169 2.826 13.918 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.906 4.533 13.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.210 4.080 14.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.080 4.655 12.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.334 3.001 12.845 1.00 0.00 H new ATOM 566 N SER A 36 -5.332 3.527 12.818 1.00 0.00 N ATOM 567 CA SER A 36 -4.721 4.568 13.627 1.00 0.00 C ATOM 568 C SER A 36 -3.382 4.987 13.017 1.00 0.00 C ATOM 569 O SER A 36 -2.858 6.053 13.334 1.00 0.00 O ATOM 570 CB SER A 36 -4.524 4.099 15.070 1.00 0.00 C ATOM 571 OG SER A 36 -5.649 4.406 15.890 1.00 0.00 O ATOM 0 H SER A 36 -5.537 2.663 13.319 1.00 0.00 H new ATOM 0 HA SER A 36 -5.391 5.428 13.641 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.350 3.023 15.081 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.633 4.570 15.486 1.00 0.00 H new ATOM 0 HG SER A 36 -5.485 4.089 16.803 1.00 0.00 H new ATOM 577 N PHE A 37 -2.867 4.125 12.153 1.00 0.00 N ATOM 578 CA PHE A 37 -1.599 4.392 11.496 1.00 0.00 C ATOM 579 C PHE A 37 -1.806 4.717 10.015 1.00 0.00 C ATOM 580 O PHE A 37 -1.188 5.639 9.485 1.00 0.00 O ATOM 581 CB PHE A 37 -0.757 3.120 11.614 1.00 0.00 C ATOM 582 CG PHE A 37 -0.576 2.625 13.050 1.00 0.00 C ATOM 583 CD1 PHE A 37 0.261 3.283 13.896 1.00 0.00 C ATOM 584 CD2 PHE A 37 -1.252 1.526 13.480 1.00 0.00 C ATOM 585 CE1 PHE A 37 0.429 2.823 15.229 1.00 0.00 C ATOM 586 CE2 PHE A 37 -1.084 1.066 14.813 1.00 0.00 C ATOM 587 CZ PHE A 37 -0.247 1.724 15.659 1.00 0.00 C ATOM 0 H PHE A 37 -3.305 3.241 11.893 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.111 5.247 11.963 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.225 2.331 11.025 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.225 3.305 11.178 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.798 4.155 13.554 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.916 1.003 12.808 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.093 3.346 15.901 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.621 0.194 15.155 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.119 1.374 16.673 1.00 0.00 H new ATOM 597 N TYR A 38 -2.679 3.941 9.389 1.00 0.00 N ATOM 598 CA TYR A 38 -2.976 4.134 7.979 1.00 0.00 C ATOM 599 C TYR A 38 -4.226 4.996 7.796 1.00 0.00 C ATOM 600 O TYR A 38 -4.283 5.828 6.891 1.00 0.00 O ATOM 601 CB TYR A 38 -3.244 2.739 7.410 1.00 0.00 C ATOM 602 CG TYR A 38 -2.118 2.201 6.525 1.00 0.00 C ATOM 603 CD1 TYR A 38 -1.872 2.777 5.295 1.00 0.00 C ATOM 604 CD2 TYR A 38 -1.349 1.140 6.956 1.00 0.00 C ATOM 605 CE1 TYR A 38 -0.813 2.270 4.462 1.00 0.00 C ATOM 606 CE2 TYR A 38 -0.289 0.633 6.123 1.00 0.00 C ATOM 607 CZ TYR A 38 -0.073 1.224 4.917 1.00 0.00 C ATOM 608 OH TYR A 38 0.927 0.745 4.130 1.00 0.00 O ATOM 0 H TYR A 38 -3.190 3.178 9.832 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.150 4.638 7.478 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.406 2.046 8.236 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.167 2.765 6.830 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.474 3.608 4.958 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.542 0.689 7.918 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.611 2.711 3.497 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.320 -0.197 6.448 1.00 0.00 H new ATOM 0 HH TYR A 38 1.350 -0.022 4.569 1.00 0.00 H new ATOM 618 N GLY A 39 -5.196 4.769 8.668 1.00 0.00 N ATOM 619 CA GLY A 39 -6.442 5.514 8.614 1.00 0.00 C ATOM 620 C GLY A 39 -6.181 7.022 8.654 1.00 0.00 C ATOM 621 O GLY A 39 -5.553 7.571 7.749 1.00 0.00 O ATOM 0 H GLY A 39 -5.144 4.079 9.417 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.983 5.259 7.703 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.077 5.229 9.453 1.00 0.00 H new ATOM 625 N SER A 40 -6.676 7.648 9.711 1.00 0.00 N ATOM 626 CA SER A 40 -6.504 9.081 9.881 1.00 0.00 C ATOM 627 C SER A 40 -5.015 9.433 9.880 1.00 0.00 C ATOM 628 O SER A 40 -4.203 8.709 9.307 1.00 0.00 O ATOM 629 CB SER A 40 -7.163 9.565 11.173 1.00 0.00 C ATOM 630 OG SER A 40 -8.147 8.649 11.647 1.00 0.00 O ATOM 0 H SER A 40 -7.196 7.189 10.459 1.00 0.00 H new ATOM 0 HA SER A 40 -6.990 9.585 9.046 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.400 9.705 11.939 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.625 10.537 11.002 1.00 0.00 H new ATOM 0 HG SER A 40 -8.543 8.994 12.475 1.00 0.00 H new ATOM 636 N GLY A 41 -4.702 10.545 10.528 1.00 0.00 N ATOM 637 CA GLY A 41 -3.326 11.002 10.610 1.00 0.00 C ATOM 638 C GLY A 41 -2.461 10.003 11.382 1.00 0.00 C ATOM 639 O GLY A 41 -1.973 10.310 12.469 1.00 0.00 O ATOM 0 H GLY A 41 -5.379 11.143 11.002 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.924 11.137 9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.291 11.974 11.101 1.00 0.00 H new ATOM 643 N GLY A 42 -2.298 8.829 10.790 1.00 0.00 N ATOM 644 CA GLY A 42 -1.501 7.784 11.409 1.00 0.00 C ATOM 645 C GLY A 42 -0.035 7.887 10.982 1.00 0.00 C ATOM 646 O GLY A 42 0.522 8.982 10.922 1.00 0.00 O ATOM 0 H GLY A 42 -2.704 8.579 9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.574 7.861 12.494 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.897 6.807 11.131 1.00 0.00 H new ATOM 650 N ASP A 43 0.548 6.731 10.696 1.00 0.00 N ATOM 651 CA ASP A 43 1.938 6.678 10.277 1.00 0.00 C ATOM 652 C ASP A 43 2.001 6.495 8.759 1.00 0.00 C ATOM 653 O ASP A 43 2.968 6.907 8.121 1.00 0.00 O ATOM 654 CB ASP A 43 2.664 5.498 10.926 1.00 0.00 C ATOM 655 CG ASP A 43 3.911 5.870 11.731 1.00 0.00 C ATOM 656 OD1 ASP A 43 4.205 7.083 11.794 1.00 0.00 O ATOM 657 OD2 ASP A 43 4.542 4.932 12.265 1.00 0.00 O ATOM 0 H ASP A 43 0.083 5.825 10.746 1.00 0.00 H new ATOM 0 HA ASP A 43 2.418 7.608 10.581 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.967 4.979 11.584 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.951 4.793 10.145 1.00 0.00 H new ATOM 662 N TYR A 44 0.958 5.876 8.226 1.00 0.00 N ATOM 663 CA TYR A 44 0.883 5.634 6.795 1.00 0.00 C ATOM 664 C TYR A 44 -0.200 6.499 6.148 1.00 0.00 C ATOM 665 O TYR A 44 -0.978 6.016 5.326 1.00 0.00 O ATOM 666 CB TYR A 44 0.504 4.160 6.637 1.00 0.00 C ATOM 667 CG TYR A 44 1.086 3.248 7.718 1.00 0.00 C ATOM 668 CD1 TYR A 44 2.454 3.143 7.869 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.244 2.530 8.543 1.00 0.00 C ATOM 670 CE1 TYR A 44 3.002 2.284 8.887 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.792 1.672 9.560 1.00 0.00 C ATOM 672 CZ TYR A 44 2.144 1.591 9.682 1.00 0.00 C ATOM 673 OH TYR A 44 2.662 0.780 10.644 1.00 0.00 O ATOM 0 H TYR A 44 0.158 5.535 8.759 1.00 0.00 H new ATOM 0 HA TYR A 44 1.831 5.876 6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.582 4.072 6.648 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.842 3.811 5.661 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.113 3.705 7.224 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.826 2.612 8.425 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.070 2.192 9.016 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.144 1.105 10.212 1.00 0.00 H new ATOM 0 HH TYR A 44 1.932 0.349 11.136 1.00 0.00 H new ATOM 683 N SER A 45 -0.217 7.764 6.543 1.00 0.00 N ATOM 684 CA SER A 45 -1.192 8.701 6.012 1.00 0.00 C ATOM 685 C SER A 45 -0.964 8.900 4.512 1.00 0.00 C ATOM 686 O SER A 45 -1.913 9.112 3.760 1.00 0.00 O ATOM 687 CB SER A 45 -1.120 10.043 6.742 1.00 0.00 C ATOM 688 OG SER A 45 -1.139 11.145 5.838 1.00 0.00 O ATOM 0 H SER A 45 0.429 8.162 7.225 1.00 0.00 H new ATOM 0 HA SER A 45 -2.187 8.285 6.170 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.960 10.126 7.432 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.210 10.081 7.341 1.00 0.00 H new ATOM 0 HG SER A 45 -1.093 11.983 6.343 1.00 0.00 H new ATOM 694 N MET A 46 0.300 8.823 4.123 1.00 0.00 N ATOM 695 CA MET A 46 0.665 8.992 2.727 1.00 0.00 C ATOM 696 C MET A 46 0.462 7.692 1.946 1.00 0.00 C ATOM 697 O MET A 46 0.213 7.719 0.742 1.00 0.00 O ATOM 698 CB MET A 46 2.130 9.423 2.630 1.00 0.00 C ATOM 699 CG MET A 46 3.028 8.499 3.455 1.00 0.00 C ATOM 700 SD MET A 46 3.424 9.268 5.017 1.00 0.00 S ATOM 701 CE MET A 46 3.827 10.915 4.458 1.00 0.00 C ATOM 0 H MET A 46 1.084 8.646 4.750 1.00 0.00 H new ATOM 0 HA MET A 46 0.023 9.758 2.293 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.448 9.410 1.588 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.235 10.449 2.983 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.525 7.547 3.626 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.943 8.282 2.905 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.641 11.315 5.062 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.135 10.879 3.413 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.952 11.557 4.557 1.00 0.00 H new ATOM 711 N PHE A 47 0.576 6.584 2.664 1.00 0.00 N ATOM 712 CA PHE A 47 0.408 5.276 2.053 1.00 0.00 C ATOM 713 C PHE A 47 -1.074 4.929 1.901 1.00 0.00 C ATOM 714 O PHE A 47 -1.462 4.256 0.947 1.00 0.00 O ATOM 715 CB PHE A 47 1.065 4.259 2.988 1.00 0.00 C ATOM 716 CG PHE A 47 2.509 4.599 3.363 1.00 0.00 C ATOM 717 CD1 PHE A 47 3.192 5.538 2.655 1.00 0.00 C ATOM 718 CD2 PHE A 47 3.109 3.963 4.405 1.00 0.00 C ATOM 719 CE1 PHE A 47 4.532 5.854 3.003 1.00 0.00 C ATOM 720 CE2 PHE A 47 4.449 4.279 4.753 1.00 0.00 C ATOM 721 CZ PHE A 47 5.132 5.218 4.045 1.00 0.00 C ATOM 0 H PHE A 47 0.783 6.565 3.663 1.00 0.00 H new ATOM 0 HA PHE A 47 0.859 5.267 1.061 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.472 4.183 3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.045 3.278 2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.715 6.043 1.828 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.566 3.218 4.968 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.075 6.599 2.440 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.926 3.774 5.580 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.151 5.459 4.310 1.00 0.00 H new ATOM 731 N ALA A 48 -1.861 5.403 2.855 1.00 0.00 N ATOM 732 CA ALA A 48 -3.292 5.150 2.839 1.00 0.00 C ATOM 733 C ALA A 48 -3.854 5.514 1.463 1.00 0.00 C ATOM 734 O ALA A 48 -3.551 6.579 0.926 1.00 0.00 O ATOM 735 CB ALA A 48 -3.962 5.935 3.969 1.00 0.00 C ATOM 0 H ALA A 48 -1.535 5.961 3.644 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.497 4.093 3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.035 5.745 3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.548 5.619 4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.780 7.001 3.829 1.00 0.00 H new ATOM 741 N GLY A 49 -4.664 4.610 0.932 1.00 0.00 N ATOM 742 CA GLY A 49 -5.271 4.822 -0.371 1.00 0.00 C ATOM 743 C GLY A 49 -4.225 5.257 -1.399 1.00 0.00 C ATOM 744 O GLY A 49 -4.506 6.086 -2.264 1.00 0.00 O ATOM 0 H GLY A 49 -4.914 3.729 1.381 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.754 3.904 -0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.049 5.582 -0.295 1.00 0.00 H new ATOM 748 N LYS A 50 -3.040 4.678 -1.271 1.00 0.00 N ATOM 749 CA LYS A 50 -1.950 4.996 -2.179 1.00 0.00 C ATOM 750 C LYS A 50 -0.909 3.875 -2.130 1.00 0.00 C ATOM 751 O LYS A 50 -0.785 3.182 -1.122 1.00 0.00 O ATOM 752 CB LYS A 50 -1.379 6.380 -1.866 1.00 0.00 C ATOM 753 CG LYS A 50 -2.276 7.484 -2.430 1.00 0.00 C ATOM 754 CD LYS A 50 -1.447 8.685 -2.887 1.00 0.00 C ATOM 755 CE LYS A 50 -2.251 9.578 -3.834 1.00 0.00 C ATOM 756 NZ LYS A 50 -2.947 10.642 -3.077 1.00 0.00 N ATOM 0 H LYS A 50 -2.811 3.991 -0.553 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.312 5.051 -3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.281 6.502 -0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.378 6.468 -2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.853 7.095 -3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.991 7.799 -1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.129 9.263 -2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.543 8.338 -3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.587 10.025 -4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.978 8.977 -4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.488 11.239 -3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.596 10.210 -2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.247 11.226 -2.575 1.00 0.00 H new ATOM 770 N ASP A 51 -0.187 3.733 -3.232 1.00 0.00 N ATOM 771 CA ASP A 51 0.839 2.709 -3.328 1.00 0.00 C ATOM 772 C ASP A 51 2.173 3.284 -2.848 1.00 0.00 C ATOM 773 O ASP A 51 2.889 3.925 -3.617 1.00 0.00 O ATOM 774 CB ASP A 51 1.018 2.242 -4.773 1.00 0.00 C ATOM 775 CG ASP A 51 2.043 1.123 -4.969 1.00 0.00 C ATOM 776 OD1 ASP A 51 3.065 1.158 -4.250 1.00 0.00 O ATOM 777 OD2 ASP A 51 1.781 0.259 -5.834 1.00 0.00 O ATOM 0 H ASP A 51 -0.292 4.310 -4.066 1.00 0.00 H new ATOM 0 HA ASP A 51 0.531 1.864 -2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.054 1.901 -5.151 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.315 3.097 -5.381 1.00 0.00 H new ATOM 782 N ALA A 52 2.468 3.034 -1.581 1.00 0.00 N ATOM 783 CA ALA A 52 3.703 3.519 -0.990 1.00 0.00 C ATOM 784 C ALA A 52 4.805 2.477 -1.195 1.00 0.00 C ATOM 785 O ALA A 52 5.336 1.931 -0.230 1.00 0.00 O ATOM 786 CB ALA A 52 3.472 3.839 0.488 1.00 0.00 C ATOM 0 H ALA A 52 1.872 2.501 -0.947 1.00 0.00 H new ATOM 0 HA ALA A 52 4.024 4.440 -1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.399 4.203 0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.702 4.605 0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.150 2.938 1.009 1.00 0.00 H new ATOM 792 N SER A 53 5.116 2.233 -2.460 1.00 0.00 N ATOM 793 CA SER A 53 6.145 1.267 -2.804 1.00 0.00 C ATOM 794 C SER A 53 7.529 1.849 -2.513 1.00 0.00 C ATOM 795 O SER A 53 8.309 1.262 -1.764 1.00 0.00 O ATOM 796 CB SER A 53 6.042 0.853 -4.274 1.00 0.00 C ATOM 797 OG SER A 53 5.691 1.949 -5.114 1.00 0.00 O ATOM 0 H SER A 53 4.673 2.688 -3.259 1.00 0.00 H new ATOM 0 HA SER A 53 5.997 0.377 -2.192 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.995 0.436 -4.601 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.297 0.064 -4.377 1.00 0.00 H new ATOM 0 HG SER A 53 4.721 1.958 -5.252 1.00 0.00 H new ATOM 803 N ARG A 54 7.792 2.998 -3.119 1.00 0.00 N ATOM 804 CA ARG A 54 9.069 3.667 -2.933 1.00 0.00 C ATOM 805 C ARG A 54 9.260 4.049 -1.464 1.00 0.00 C ATOM 806 O ARG A 54 10.318 3.803 -0.887 1.00 0.00 O ATOM 807 CB ARG A 54 9.162 4.926 -3.797 1.00 0.00 C ATOM 808 CG ARG A 54 8.792 4.623 -5.250 1.00 0.00 C ATOM 809 CD ARG A 54 9.172 5.788 -6.167 1.00 0.00 C ATOM 810 NE ARG A 54 10.591 5.672 -6.570 1.00 0.00 N ATOM 811 CZ ARG A 54 11.269 6.630 -7.216 1.00 0.00 C ATOM 812 NH1 ARG A 54 10.661 7.781 -7.536 1.00 0.00 N ATOM 813 NH2 ARG A 54 12.555 6.438 -7.542 1.00 0.00 N ATOM 0 H ARG A 54 7.143 3.482 -3.739 1.00 0.00 H new ATOM 0 HA ARG A 54 9.854 2.974 -3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.496 5.693 -3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.174 5.328 -3.752 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.301 3.717 -5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.722 4.431 -5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.533 5.790 -7.050 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.008 6.735 -5.653 1.00 0.00 H new ATOM 0 HE ARG A 54 11.084 4.809 -6.342 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.683 7.927 -7.288 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.177 8.511 -8.028 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.018 5.562 -7.298 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.071 7.168 -8.034 1.00 0.00 H new ATOM 827 N ALA A 55 8.218 4.643 -0.900 1.00 0.00 N ATOM 828 CA ALA A 55 8.257 5.061 0.491 1.00 0.00 C ATOM 829 C ALA A 55 8.536 3.845 1.377 1.00 0.00 C ATOM 830 O ALA A 55 9.238 3.952 2.381 1.00 0.00 O ATOM 831 CB ALA A 55 6.944 5.757 0.852 1.00 0.00 C ATOM 0 H ALA A 55 7.342 4.845 -1.381 1.00 0.00 H new ATOM 0 HA ALA A 55 9.061 5.778 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.973 6.071 1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.808 6.630 0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.114 5.067 0.704 1.00 0.00 H new ATOM 837 N LEU A 56 7.971 2.717 0.973 1.00 0.00 N ATOM 838 CA LEU A 56 8.150 1.482 1.718 1.00 0.00 C ATOM 839 C LEU A 56 9.582 0.978 1.524 1.00 0.00 C ATOM 840 O LEU A 56 10.235 0.569 2.483 1.00 0.00 O ATOM 841 CB LEU A 56 7.081 0.461 1.326 1.00 0.00 C ATOM 842 CG LEU A 56 5.737 0.586 2.049 1.00 0.00 C ATOM 843 CD1 LEU A 56 4.685 -0.324 1.412 1.00 0.00 C ATOM 844 CD2 LEU A 56 5.894 0.320 3.547 1.00 0.00 C ATOM 0 H LEU A 56 7.389 2.632 0.140 1.00 0.00 H new ATOM 0 HA LEU A 56 8.015 1.657 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.903 0.544 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.477 -0.538 1.507 1.00 0.00 H new ATOM 0 HG LEU A 56 5.384 1.611 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.740 -0.216 1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.547 -0.045 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.017 -1.360 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.925 0.415 4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.280 -0.688 3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.589 1.043 3.974 1.00 0.00 H new ATOM 856 N GLY A 57 10.028 1.023 0.278 1.00 0.00 N ATOM 857 CA GLY A 57 11.370 0.576 -0.054 1.00 0.00 C ATOM 858 C GLY A 57 12.421 1.383 0.711 1.00 0.00 C ATOM 859 O GLY A 57 12.967 0.912 1.708 1.00 0.00 O ATOM 0 H GLY A 57 9.483 1.362 -0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.474 -0.482 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.537 0.679 -1.126 1.00 0.00 H new ATOM 863 N LYS A 58 12.674 2.586 0.215 1.00 0.00 N ATOM 864 CA LYS A 58 13.650 3.462 0.839 1.00 0.00 C ATOM 865 C LYS A 58 13.255 3.702 2.298 1.00 0.00 C ATOM 866 O LYS A 58 14.082 4.116 3.109 1.00 0.00 O ATOM 867 CB LYS A 58 13.812 4.749 0.026 1.00 0.00 C ATOM 868 CG LYS A 58 13.955 4.440 -1.465 1.00 0.00 C ATOM 869 CD LYS A 58 12.748 4.959 -2.250 1.00 0.00 C ATOM 870 CE LYS A 58 13.185 5.589 -3.574 1.00 0.00 C ATOM 871 NZ LYS A 58 13.063 7.063 -3.513 1.00 0.00 N ATOM 0 H LYS A 58 12.220 2.974 -0.612 1.00 0.00 H new ATOM 0 HA LYS A 58 14.633 2.992 0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.949 5.396 0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.689 5.295 0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.867 4.897 -1.849 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.052 3.364 -1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.056 4.139 -2.444 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.210 5.695 -1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.217 5.312 -3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.572 5.201 -4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.364 7.474 -4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.073 7.322 -3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.666 7.430 -2.750 1.00 0.00 H new ATOM 885 N MET A 59 11.991 3.433 2.587 1.00 0.00 N ATOM 886 CA MET A 59 11.476 3.614 3.933 1.00 0.00 C ATOM 887 C MET A 59 11.293 5.099 4.255 1.00 0.00 C ATOM 888 O MET A 59 11.550 5.530 5.378 1.00 0.00 O ATOM 889 CB MET A 59 12.445 2.989 4.939 1.00 0.00 C ATOM 890 CG MET A 59 12.980 1.651 4.426 1.00 0.00 C ATOM 891 SD MET A 59 13.572 0.666 5.791 1.00 0.00 S ATOM 892 CE MET A 59 12.104 -0.285 6.148 1.00 0.00 C ATOM 0 H MET A 59 11.308 3.091 1.911 1.00 0.00 H new ATOM 0 HA MET A 59 10.504 3.125 3.999 1.00 0.00 H new ATOM 0 HB2 MET A 59 13.276 3.671 5.121 1.00 0.00 H new ATOM 0 HB3 MET A 59 11.939 2.841 5.893 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.193 1.115 3.895 1.00 0.00 H new ATOM 0 HG3 MET A 59 13.787 1.822 3.713 1.00 0.00 H new ATOM 0 HE1 MET A 59 11.985 -0.379 7.227 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.233 0.220 5.730 1.00 0.00 H new ATOM 0 HE3 MET A 59 12.196 -1.277 5.705 1.00 0.00 H new ATOM 902 N SER A 60 10.849 5.839 3.250 1.00 0.00 N ATOM 903 CA SER A 60 10.629 7.266 3.411 1.00 0.00 C ATOM 904 C SER A 60 9.129 7.562 3.458 1.00 0.00 C ATOM 905 O SER A 60 8.312 6.643 3.500 1.00 0.00 O ATOM 906 CB SER A 60 11.291 8.057 2.281 1.00 0.00 C ATOM 907 OG SER A 60 11.896 9.258 2.754 1.00 0.00 O ATOM 0 H SER A 60 10.636 5.477 2.321 1.00 0.00 H new ATOM 0 HA SER A 60 11.084 7.578 4.351 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.046 7.437 1.798 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.546 8.300 1.524 1.00 0.00 H new ATOM 0 HG SER A 60 12.309 9.734 2.003 1.00 0.00 H new ATOM 913 N LYS A 61 8.811 8.848 3.450 1.00 0.00 N ATOM 914 CA LYS A 61 7.423 9.276 3.491 1.00 0.00 C ATOM 915 C LYS A 61 7.184 10.320 2.398 1.00 0.00 C ATOM 916 O LYS A 61 6.275 11.142 2.508 1.00 0.00 O ATOM 917 CB LYS A 61 7.053 9.760 4.894 1.00 0.00 C ATOM 918 CG LYS A 61 7.543 11.190 5.129 1.00 0.00 C ATOM 919 CD LYS A 61 7.278 11.631 6.570 1.00 0.00 C ATOM 920 CE LYS A 61 8.511 11.407 7.447 1.00 0.00 C ATOM 921 NZ LYS A 61 8.935 12.675 8.080 1.00 0.00 N ATOM 0 H LYS A 61 9.491 9.608 3.416 1.00 0.00 H new ATOM 0 HA LYS A 61 6.759 8.437 3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.972 9.717 5.024 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.490 9.095 5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.610 11.252 4.916 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.041 11.868 4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.002 12.685 6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.433 11.074 6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.288 10.667 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.325 11.005 6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.773 12.504 8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.168 13.370 7.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.163 13.043 8.672 1.00 0.00 H new ATOM 935 N ASN A 62 8.014 10.253 1.368 1.00 0.00 N ATOM 936 CA ASN A 62 7.904 11.181 0.256 1.00 0.00 C ATOM 937 C ASN A 62 6.548 10.994 -0.427 1.00 0.00 C ATOM 938 O ASN A 62 6.087 9.867 -0.602 1.00 0.00 O ATOM 939 CB ASN A 62 8.996 10.927 -0.785 1.00 0.00 C ATOM 940 CG ASN A 62 10.205 11.834 -0.545 1.00 0.00 C ATOM 941 OD1 ASN A 62 9.993 13.110 -0.853 1.00 0.00 O flip ATOM 942 ND2 ASN A 62 11.259 11.403 -0.108 1.00 0.00 N flip ATOM 0 H ASN A 62 8.766 9.570 1.280 1.00 0.00 H new ATOM 0 HA ASN A 62 8.010 12.192 0.650 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.306 9.883 -0.744 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.598 11.102 -1.785 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.354 10.411 0.108 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.046 12.035 0.042 1.00 0.00 H new ATOM 949 N GLU A 63 5.946 12.116 -0.794 1.00 0.00 N ATOM 950 CA GLU A 63 4.652 12.090 -1.454 1.00 0.00 C ATOM 951 C GLU A 63 4.812 11.687 -2.921 1.00 0.00 C ATOM 952 O GLU A 63 3.862 11.219 -3.547 1.00 0.00 O ATOM 953 CB GLU A 63 3.946 13.442 -1.331 1.00 0.00 C ATOM 954 CG GLU A 63 3.224 13.563 0.013 1.00 0.00 C ATOM 955 CD GLU A 63 3.405 14.961 0.609 1.00 0.00 C ATOM 956 OE1 GLU A 63 4.505 15.210 1.147 1.00 0.00 O ATOM 957 OE2 GLU A 63 2.439 15.748 0.512 1.00 0.00 O ATOM 0 H GLU A 63 6.331 13.049 -0.647 1.00 0.00 H new ATOM 0 HA GLU A 63 4.029 11.345 -0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.674 14.247 -1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.230 13.558 -2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.162 13.355 -0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.610 12.816 0.706 1.00 0.00 H new ATOM 964 N GLU A 64 6.020 11.883 -3.427 1.00 0.00 N ATOM 965 CA GLU A 64 6.317 11.546 -4.809 1.00 0.00 C ATOM 966 C GLU A 64 6.852 10.116 -4.903 1.00 0.00 C ATOM 967 O GLU A 64 6.805 9.501 -5.968 1.00 0.00 O ATOM 968 CB GLU A 64 7.307 12.542 -5.416 1.00 0.00 C ATOM 969 CG GLU A 64 7.595 13.689 -4.446 1.00 0.00 C ATOM 970 CD GLU A 64 8.790 13.360 -3.548 1.00 0.00 C ATOM 971 OE1 GLU A 64 9.213 12.184 -3.575 1.00 0.00 O ATOM 972 OE2 GLU A 64 9.253 14.292 -2.855 1.00 0.00 O ATOM 0 H GLU A 64 6.805 12.271 -2.905 1.00 0.00 H new ATOM 0 HA GLU A 64 5.393 11.607 -5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.236 12.030 -5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.903 12.941 -6.346 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.797 14.602 -5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.715 13.880 -3.831 1.00 0.00 H new ATOM 979 N ASP A 65 7.347 9.628 -3.776 1.00 0.00 N ATOM 980 CA ASP A 65 7.890 8.281 -3.718 1.00 0.00 C ATOM 981 C ASP A 65 6.783 7.275 -4.040 1.00 0.00 C ATOM 982 O ASP A 65 6.980 6.367 -4.846 1.00 0.00 O ATOM 983 CB ASP A 65 8.426 7.963 -2.321 1.00 0.00 C ATOM 984 CG ASP A 65 9.951 7.948 -2.201 1.00 0.00 C ATOM 985 OD1 ASP A 65 10.603 7.902 -3.266 1.00 0.00 O ATOM 986 OD2 ASP A 65 10.430 7.982 -1.047 1.00 0.00 O ATOM 0 H ASP A 65 7.384 10.141 -2.895 1.00 0.00 H new ATOM 0 HA ASP A 65 8.704 8.214 -4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.029 8.697 -1.620 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.043 6.990 -2.014 1.00 0.00 H new ATOM 991 N VAL A 66 5.643 7.471 -3.394 1.00 0.00 N ATOM 992 CA VAL A 66 4.504 6.593 -3.602 1.00 0.00 C ATOM 993 C VAL A 66 4.316 6.356 -5.102 1.00 0.00 C ATOM 994 O VAL A 66 3.977 7.278 -5.842 1.00 0.00 O ATOM 995 CB VAL A 66 3.262 7.178 -2.928 1.00 0.00 C ATOM 996 CG1 VAL A 66 2.010 6.380 -3.299 1.00 0.00 C ATOM 997 CG2 VAL A 66 3.441 7.244 -1.411 1.00 0.00 C ATOM 0 H VAL A 66 5.484 8.225 -2.726 1.00 0.00 H new ATOM 0 HA VAL A 66 4.680 5.622 -3.139 1.00 0.00 H new ATOM 0 HB VAL A 66 3.131 8.196 -3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.141 6.817 -2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.867 6.408 -4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.129 5.346 -2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.544 7.664 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.610 6.240 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.297 7.875 -1.173 1.00 0.00 H new ATOM 1007 N SER A 67 4.543 5.114 -5.506 1.00 0.00 N ATOM 1008 CA SER A 67 4.402 4.744 -6.904 1.00 0.00 C ATOM 1009 C SER A 67 3.487 3.525 -7.033 1.00 0.00 C ATOM 1010 O SER A 67 3.847 2.427 -6.611 1.00 0.00 O ATOM 1011 CB SER A 67 5.764 4.455 -7.537 1.00 0.00 C ATOM 1012 OG SER A 67 5.843 3.129 -8.051 1.00 0.00 O ATOM 0 H SER A 67 4.824 4.352 -4.889 1.00 0.00 H new ATOM 0 HA SER A 67 3.955 5.583 -7.437 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.948 5.167 -8.341 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.548 4.603 -6.794 1.00 0.00 H new ATOM 0 HG SER A 67 5.857 3.158 -9.030 1.00 0.00 H new ATOM 1018 N PRO A 68 2.291 3.765 -7.634 1.00 0.00 N ATOM 1019 CA PRO A 68 1.322 2.699 -7.824 1.00 0.00 C ATOM 1020 C PRO A 68 1.746 1.769 -8.962 1.00 0.00 C ATOM 1021 O PRO A 68 0.985 0.891 -9.367 1.00 0.00 O ATOM 1022 CB PRO A 68 0.005 3.409 -8.096 1.00 0.00 C ATOM 1023 CG PRO A 68 0.372 4.825 -8.508 1.00 0.00 C ATOM 1024 CD PRO A 68 1.831 5.052 -8.146 1.00 0.00 C ATOM 0 HA PRO A 68 1.236 2.048 -6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.554 2.906 -8.884 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.628 3.412 -7.208 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.218 4.963 -9.578 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.265 5.548 -7.998 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.411 5.362 -9.015 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.935 5.836 -7.396 1.00 0.00 H new ATOM 1032 N SER A 69 2.959 1.992 -9.445 1.00 0.00 N ATOM 1033 CA SER A 69 3.494 1.185 -10.529 1.00 0.00 C ATOM 1034 C SER A 69 4.982 0.916 -10.296 1.00 0.00 C ATOM 1035 O SER A 69 5.782 1.848 -10.232 1.00 0.00 O ATOM 1036 CB SER A 69 3.283 1.869 -11.881 1.00 0.00 C ATOM 1037 OG SER A 69 4.467 2.516 -12.342 1.00 0.00 O ATOM 0 H SER A 69 3.587 2.720 -9.106 1.00 0.00 H new ATOM 0 HA SER A 69 2.958 0.236 -10.545 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.964 1.130 -12.616 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.480 2.601 -11.796 1.00 0.00 H new ATOM 0 HG SER A 69 5.047 2.720 -11.579 1.00 0.00 H new ATOM 1043 N LEU A 70 5.307 -0.363 -10.175 1.00 0.00 N ATOM 1044 CA LEU A 70 6.685 -0.766 -9.951 1.00 0.00 C ATOM 1045 C LEU A 70 7.616 0.150 -10.747 1.00 0.00 C ATOM 1046 O LEU A 70 8.601 0.657 -10.211 1.00 0.00 O ATOM 1047 CB LEU A 70 6.866 -2.252 -10.267 1.00 0.00 C ATOM 1048 CG LEU A 70 6.259 -3.231 -9.260 1.00 0.00 C ATOM 1049 CD1 LEU A 70 6.481 -4.679 -9.701 1.00 0.00 C ATOM 1050 CD2 LEU A 70 6.795 -2.972 -7.851 1.00 0.00 C ATOM 0 H LEU A 70 4.640 -1.133 -10.228 1.00 0.00 H new ATOM 0 HA LEU A 70 6.949 -0.653 -8.900 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.429 -2.451 -11.246 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.933 -2.459 -10.347 1.00 0.00 H new ATOM 0 HG LEU A 70 5.182 -3.065 -9.230 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.040 -5.354 -8.968 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.011 -4.840 -10.671 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.550 -4.876 -9.778 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.347 -3.682 -7.155 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.878 -3.093 -7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.542 -1.956 -7.546 1.00 0.00 H new ATOM 1062 N GLU A 71 7.273 0.335 -12.013 1.00 0.00 N ATOM 1063 CA GLU A 71 8.066 1.181 -12.888 1.00 0.00 C ATOM 1064 C GLU A 71 8.629 2.371 -12.108 1.00 0.00 C ATOM 1065 O GLU A 71 7.958 3.391 -11.956 1.00 0.00 O ATOM 1066 CB GLU A 71 7.243 1.652 -14.088 1.00 0.00 C ATOM 1067 CG GLU A 71 7.504 0.772 -15.312 1.00 0.00 C ATOM 1068 CD GLU A 71 7.556 1.611 -16.591 1.00 0.00 C ATOM 1069 OE1 GLU A 71 6.477 1.791 -17.195 1.00 0.00 O ATOM 1070 OE2 GLU A 71 8.673 2.054 -16.934 1.00 0.00 O ATOM 0 H GLU A 71 6.456 -0.087 -12.454 1.00 0.00 H new ATOM 0 HA GLU A 71 8.901 0.594 -13.270 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.182 1.628 -13.838 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.492 2.687 -14.320 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.445 0.237 -15.185 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.719 0.020 -15.398 1.00 0.00 H new ATOM 1077 N GLY A 72 9.854 2.201 -11.635 1.00 0.00 N ATOM 1078 CA GLY A 72 10.515 3.248 -10.874 1.00 0.00 C ATOM 1079 C GLY A 72 11.174 2.680 -9.616 1.00 0.00 C ATOM 1080 O GLY A 72 12.223 3.160 -9.189 1.00 0.00 O ATOM 0 H GLY A 72 10.407 1.354 -11.764 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.268 3.734 -11.495 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.790 4.013 -10.595 1.00 0.00 H new ATOM 1084 N LEU A 73 10.531 1.664 -9.057 1.00 0.00 N ATOM 1085 CA LEU A 73 11.042 1.025 -7.857 1.00 0.00 C ATOM 1086 C LEU A 73 12.401 0.391 -8.160 1.00 0.00 C ATOM 1087 O LEU A 73 12.487 -0.562 -8.932 1.00 0.00 O ATOM 1088 CB LEU A 73 10.015 0.039 -7.296 1.00 0.00 C ATOM 1089 CG LEU A 73 8.993 0.620 -6.317 1.00 0.00 C ATOM 1090 CD1 LEU A 73 9.595 0.768 -4.919 1.00 0.00 C ATOM 1091 CD2 LEU A 73 8.423 1.941 -6.838 1.00 0.00 C ATOM 0 H LEU A 73 9.661 1.268 -9.414 1.00 0.00 H new ATOM 0 HA LEU A 73 11.203 1.764 -7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.475 -0.407 -8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.551 -0.767 -6.795 1.00 0.00 H new ATOM 0 HG LEU A 73 8.161 -0.080 -6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.847 1.183 -4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.912 -0.209 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.456 1.436 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.699 2.332 -6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.232 2.661 -6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.932 1.772 -7.796 1.00 0.00 H new ATOM 1103 N THR A 74 13.430 0.947 -7.536 1.00 0.00 N ATOM 1104 CA THR A 74 14.781 0.448 -7.730 1.00 0.00 C ATOM 1105 C THR A 74 15.039 -0.756 -6.822 1.00 0.00 C ATOM 1106 O THR A 74 14.142 -1.208 -6.113 1.00 0.00 O ATOM 1107 CB THR A 74 15.751 1.607 -7.494 1.00 0.00 C ATOM 1108 OG1 THR A 74 15.620 1.892 -6.104 1.00 0.00 O ATOM 1109 CG2 THR A 74 15.302 2.897 -8.183 1.00 0.00 C ATOM 0 H THR A 74 13.355 1.738 -6.896 1.00 0.00 H new ATOM 0 HA THR A 74 14.928 0.085 -8.747 1.00 0.00 H new ATOM 0 HB THR A 74 16.742 1.330 -7.854 1.00 0.00 H new ATOM 0 HG1 THR A 74 16.216 2.632 -5.864 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.026 3.687 -7.983 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.234 2.731 -9.258 1.00 0.00 H new ATOM 0 HG23 THR A 74 14.326 3.194 -7.799 1.00 0.00 H new ATOM 1117 N GLU A 75 16.271 -1.242 -6.874 1.00 0.00 N ATOM 1118 CA GLU A 75 16.660 -2.384 -6.065 1.00 0.00 C ATOM 1119 C GLU A 75 16.680 -2.004 -4.583 1.00 0.00 C ATOM 1120 O GLU A 75 16.252 -2.782 -3.732 1.00 0.00 O ATOM 1121 CB GLU A 75 18.017 -2.934 -6.508 1.00 0.00 C ATOM 1122 CG GLU A 75 17.859 -4.285 -7.209 1.00 0.00 C ATOM 1123 CD GLU A 75 18.941 -5.267 -6.756 1.00 0.00 C ATOM 1124 OE1 GLU A 75 20.126 -4.967 -7.020 1.00 0.00 O ATOM 1125 OE2 GLU A 75 18.560 -6.296 -6.157 1.00 0.00 O ATOM 0 H GLU A 75 17.013 -0.865 -7.464 1.00 0.00 H new ATOM 0 HA GLU A 75 15.921 -3.173 -6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 75 18.498 -2.225 -7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 75 18.669 -3.044 -5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 75 16.874 -4.698 -6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 75 17.917 -4.148 -8.289 1.00 0.00 H new ATOM 1132 N LYS A 76 17.182 -0.806 -4.319 1.00 0.00 N ATOM 1133 CA LYS A 76 17.264 -0.313 -2.955 1.00 0.00 C ATOM 1134 C LYS A 76 15.883 -0.398 -2.303 1.00 0.00 C ATOM 1135 O LYS A 76 15.747 -0.910 -1.193 1.00 0.00 O ATOM 1136 CB LYS A 76 17.871 1.092 -2.929 1.00 0.00 C ATOM 1137 CG LYS A 76 16.788 2.153 -2.722 1.00 0.00 C ATOM 1138 CD LYS A 76 17.409 3.537 -2.519 1.00 0.00 C ATOM 1139 CE LYS A 76 17.751 4.186 -3.862 1.00 0.00 C ATOM 1140 NZ LYS A 76 18.288 5.550 -3.656 1.00 0.00 N ATOM 0 H LYS A 76 17.536 -0.163 -5.027 1.00 0.00 H new ATOM 0 HA LYS A 76 17.935 -0.936 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.608 1.159 -2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.397 1.282 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.123 2.172 -3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.179 1.893 -1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.716 4.174 -1.969 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.311 3.450 -1.913 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.483 3.576 -4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.860 4.230 -4.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.515 5.976 -4.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.577 6.133 -3.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.150 5.500 -3.076 1.00 0.00 H new ATOM 1154 N GLU A 77 14.892 0.111 -3.021 1.00 0.00 N ATOM 1155 CA GLU A 77 13.526 0.099 -2.525 1.00 0.00 C ATOM 1156 C GLU A 77 12.907 -1.288 -2.711 1.00 0.00 C ATOM 1157 O GLU A 77 12.211 -1.784 -1.826 1.00 0.00 O ATOM 1158 CB GLU A 77 12.683 1.173 -3.216 1.00 0.00 C ATOM 1159 CG GLU A 77 13.296 1.572 -4.560 1.00 0.00 C ATOM 1160 CD GLU A 77 12.447 2.638 -5.255 1.00 0.00 C ATOM 1161 OE1 GLU A 77 11.447 3.060 -4.636 1.00 0.00 O ATOM 1162 OE2 GLU A 77 12.818 3.006 -6.391 1.00 0.00 O ATOM 0 H GLU A 77 15.008 0.534 -3.942 1.00 0.00 H new ATOM 0 HA GLU A 77 13.544 0.328 -1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.670 0.801 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.606 2.050 -2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.306 1.951 -4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.380 0.694 -5.201 1.00 0.00 H new ATOM 1169 N ILE A 78 13.182 -1.874 -3.867 1.00 0.00 N ATOM 1170 CA ILE A 78 12.660 -3.194 -4.179 1.00 0.00 C ATOM 1171 C ILE A 78 13.030 -4.163 -3.055 1.00 0.00 C ATOM 1172 O ILE A 78 12.185 -4.920 -2.580 1.00 0.00 O ATOM 1173 CB ILE A 78 13.137 -3.644 -5.561 1.00 0.00 C ATOM 1174 CG1 ILE A 78 12.293 -3.008 -6.667 1.00 0.00 C ATOM 1175 CG2 ILE A 78 13.159 -5.171 -5.663 1.00 0.00 C ATOM 1176 CD1 ILE A 78 11.462 -4.064 -7.400 1.00 0.00 C ATOM 0 H ILE A 78 13.759 -1.459 -4.599 1.00 0.00 H new ATOM 0 HA ILE A 78 11.572 -3.171 -4.234 1.00 0.00 H new ATOM 0 HB ILE A 78 14.161 -3.297 -5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.633 -2.255 -6.238 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.943 -2.495 -7.376 1.00 0.00 H new ATOM 0 HG21 ILE A 78 13.502 -5.464 -6.655 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.836 -5.576 -4.911 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.155 -5.561 -5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.872 -3.585 -8.181 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.126 -4.802 -7.849 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.796 -4.558 -6.693 1.00 0.00 H new ATOM 1188 N ASN A 79 14.294 -4.108 -2.661 1.00 0.00 N ATOM 1189 CA ASN A 79 14.786 -4.972 -1.601 1.00 0.00 C ATOM 1190 C ASN A 79 13.853 -4.871 -0.393 1.00 0.00 C ATOM 1191 O ASN A 79 13.405 -5.886 0.137 1.00 0.00 O ATOM 1192 CB ASN A 79 16.187 -4.551 -1.153 1.00 0.00 C ATOM 1193 CG ASN A 79 17.240 -5.549 -1.638 1.00 0.00 C ATOM 1194 OD1 ASN A 79 17.127 -6.750 -1.451 1.00 0.00 O ATOM 1195 ND2 ASN A 79 18.268 -4.988 -2.269 1.00 0.00 N ATOM 0 H ASN A 79 14.992 -3.479 -3.057 1.00 0.00 H new ATOM 0 HA ASN A 79 14.822 -5.991 -1.986 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.414 -3.559 -1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.220 -4.482 -0.066 1.00 0.00 H new ATOM 0 HD21 ASN A 79 19.024 -5.570 -2.630 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.300 -3.976 -2.392 1.00 0.00 H new ATOM 1202 N THR A 80 13.587 -3.636 0.008 1.00 0.00 N ATOM 1203 CA THR A 80 12.716 -3.389 1.144 1.00 0.00 C ATOM 1204 C THR A 80 11.249 -3.473 0.719 1.00 0.00 C ATOM 1205 O THR A 80 10.443 -4.123 1.383 1.00 0.00 O ATOM 1206 CB THR A 80 13.098 -2.036 1.747 1.00 0.00 C ATOM 1207 OG1 THR A 80 14.370 -2.268 2.344 1.00 0.00 O ATOM 1208 CG2 THR A 80 12.200 -1.644 2.923 1.00 0.00 C ATOM 0 H THR A 80 13.960 -2.796 -0.434 1.00 0.00 H new ATOM 0 HA THR A 80 12.843 -4.151 1.913 1.00 0.00 H new ATOM 0 HB THR A 80 13.043 -1.267 0.976 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.693 -1.440 2.758 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.514 -0.676 3.314 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.165 -1.581 2.586 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.280 -2.396 3.708 1.00 0.00 H new ATOM 1216 N LEU A 81 10.947 -2.805 -0.385 1.00 0.00 N ATOM 1217 CA LEU A 81 9.591 -2.796 -0.906 1.00 0.00 C ATOM 1218 C LEU A 81 9.142 -4.234 -1.173 1.00 0.00 C ATOM 1219 O LEU A 81 8.155 -4.696 -0.602 1.00 0.00 O ATOM 1220 CB LEU A 81 9.494 -1.884 -2.131 1.00 0.00 C ATOM 1221 CG LEU A 81 8.234 -2.041 -2.986 1.00 0.00 C ATOM 1222 CD1 LEU A 81 8.393 -3.184 -3.991 1.00 0.00 C ATOM 1223 CD2 LEU A 81 6.994 -2.217 -2.108 1.00 0.00 C ATOM 0 H LEU A 81 11.618 -2.266 -0.933 1.00 0.00 H new ATOM 0 HA LEU A 81 8.903 -2.378 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.554 -0.849 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.363 -2.065 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 81 8.094 -1.125 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.484 -3.274 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.238 -2.976 -4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.571 -4.117 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.113 -2.326 -2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.109 -3.107 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.875 -1.343 -1.468 1.00 0.00 H new ATOM 1235 N ASN A 82 9.887 -4.901 -2.042 1.00 0.00 N ATOM 1236 CA ASN A 82 9.578 -6.277 -2.391 1.00 0.00 C ATOM 1237 C ASN A 82 9.369 -7.089 -1.112 1.00 0.00 C ATOM 1238 O ASN A 82 8.471 -7.928 -1.044 1.00 0.00 O ATOM 1239 CB ASN A 82 10.726 -6.917 -3.175 1.00 0.00 C ATOM 1240 CG ASN A 82 10.241 -8.141 -3.956 1.00 0.00 C ATOM 1241 OD1 ASN A 82 9.964 -9.192 -3.403 1.00 0.00 O ATOM 1242 ND2 ASN A 82 10.155 -7.945 -5.269 1.00 0.00 N ATOM 0 H ASN A 82 10.704 -4.514 -2.515 1.00 0.00 H new ATOM 0 HA ASN A 82 8.678 -6.275 -3.006 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.152 -6.187 -3.863 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.521 -7.210 -2.489 1.00 0.00 H new ATOM 0 HD21 ASN A 82 9.841 -8.701 -5.878 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.403 -7.039 -5.667 1.00 0.00 H new ATOM 1249 N ASP A 83 10.212 -6.812 -0.128 1.00 0.00 N ATOM 1250 CA ASP A 83 10.131 -7.506 1.146 1.00 0.00 C ATOM 1251 C ASP A 83 8.932 -6.976 1.935 1.00 0.00 C ATOM 1252 O ASP A 83 8.316 -7.712 2.704 1.00 0.00 O ATOM 1253 CB ASP A 83 11.390 -7.271 1.983 1.00 0.00 C ATOM 1254 CG ASP A 83 12.359 -8.453 2.038 1.00 0.00 C ATOM 1255 OD1 ASP A 83 11.860 -9.591 2.174 1.00 0.00 O ATOM 1256 OD2 ASP A 83 13.578 -8.193 1.944 1.00 0.00 O ATOM 0 H ASP A 83 10.955 -6.116 -0.188 1.00 0.00 H new ATOM 0 HA ASP A 83 10.027 -8.572 0.943 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.918 -6.406 1.582 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.090 -7.019 3.000 1.00 0.00 H new ATOM 1261 N TRP A 84 8.638 -5.703 1.717 1.00 0.00 N ATOM 1262 CA TRP A 84 7.524 -5.065 2.399 1.00 0.00 C ATOM 1263 C TRP A 84 6.249 -5.833 2.042 1.00 0.00 C ATOM 1264 O TRP A 84 5.399 -6.064 2.901 1.00 0.00 O ATOM 1265 CB TRP A 84 7.444 -3.578 2.047 1.00 0.00 C ATOM 1266 CG TRP A 84 8.020 -2.653 3.120 1.00 0.00 C ATOM 1267 CD1 TRP A 84 8.890 -1.646 2.961 1.00 0.00 C ATOM 1268 CD2 TRP A 84 7.729 -2.689 4.533 1.00 0.00 C ATOM 1269 NE1 TRP A 84 9.181 -1.034 4.163 1.00 0.00 N ATOM 1270 CE2 TRP A 84 8.452 -1.689 5.150 1.00 0.00 C ATOM 1271 CE3 TRP A 84 6.883 -3.540 5.266 1.00 0.00 C ATOM 1272 CZ2 TRP A 84 8.402 -1.444 6.527 1.00 0.00 C ATOM 1273 CZ3 TRP A 84 6.845 -3.283 6.642 1.00 0.00 C ATOM 1274 CH2 TRP A 84 7.566 -2.280 7.278 1.00 0.00 C ATOM 0 H TRP A 84 9.151 -5.096 1.078 1.00 0.00 H new ATOM 0 HA TRP A 84 7.662 -5.101 3.480 1.00 0.00 H new ATOM 0 HB2 TRP A 84 7.976 -3.408 1.111 1.00 0.00 H new ATOM 0 HB3 TRP A 84 6.401 -3.312 1.874 1.00 0.00 H new ATOM 0 HD1 TRP A 84 9.311 -1.351 2.011 1.00 0.00 H new ATOM 0 HE1 TRP A 84 9.814 -0.246 4.302 1.00 0.00 H new ATOM 0 HE3 TRP A 84 6.308 -4.329 4.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 8.977 -0.653 6.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 6.210 -3.909 7.252 1.00 0.00 H new ATOM 0 HH2 TRP A 84 7.482 -2.146 8.346 1.00 0.00 H new ATOM 1285 N GLU A 85 6.157 -6.207 0.775 1.00 0.00 N ATOM 1286 CA GLU A 85 5.000 -6.944 0.294 1.00 0.00 C ATOM 1287 C GLU A 85 4.865 -8.269 1.047 1.00 0.00 C ATOM 1288 O GLU A 85 3.774 -8.629 1.486 1.00 0.00 O ATOM 1289 CB GLU A 85 5.087 -7.177 -1.215 1.00 0.00 C ATOM 1290 CG GLU A 85 4.515 -8.545 -1.593 1.00 0.00 C ATOM 1291 CD GLU A 85 5.545 -9.653 -1.362 1.00 0.00 C ATOM 1292 OE1 GLU A 85 6.707 -9.442 -1.773 1.00 0.00 O ATOM 1293 OE2 GLU A 85 5.148 -10.685 -0.779 1.00 0.00 O ATOM 0 H GLU A 85 6.864 -6.014 0.066 1.00 0.00 H new ATOM 0 HA GLU A 85 4.108 -6.347 0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.541 -6.393 -1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.126 -7.112 -1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.621 -8.745 -1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.210 -8.539 -2.640 1.00 0.00 H new ATOM 1300 N THR A 86 5.990 -8.958 1.173 1.00 0.00 N ATOM 1301 CA THR A 86 6.010 -10.236 1.865 1.00 0.00 C ATOM 1302 C THR A 86 5.672 -10.046 3.345 1.00 0.00 C ATOM 1303 O THR A 86 5.029 -10.901 3.953 1.00 0.00 O ATOM 1304 CB THR A 86 7.380 -10.877 1.633 1.00 0.00 C ATOM 1305 OG1 THR A 86 7.194 -11.680 0.470 1.00 0.00 O ATOM 1306 CG2 THR A 86 7.748 -11.883 2.725 1.00 0.00 C ATOM 0 H THR A 86 6.893 -8.656 0.808 1.00 0.00 H new ATOM 0 HA THR A 86 5.248 -10.910 1.473 1.00 0.00 H new ATOM 0 HB THR A 86 8.142 -10.099 1.585 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.295 -11.531 0.110 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.729 -12.308 2.512 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.773 -11.379 3.691 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.005 -12.680 2.751 1.00 0.00 H new ATOM 1314 N LYS A 87 6.119 -8.920 3.882 1.00 0.00 N ATOM 1315 CA LYS A 87 5.871 -8.607 5.279 1.00 0.00 C ATOM 1316 C LYS A 87 4.407 -8.201 5.455 1.00 0.00 C ATOM 1317 O LYS A 87 3.757 -8.608 6.416 1.00 0.00 O ATOM 1318 CB LYS A 87 6.865 -7.556 5.777 1.00 0.00 C ATOM 1319 CG LYS A 87 8.307 -8.041 5.608 1.00 0.00 C ATOM 1320 CD LYS A 87 9.281 -6.861 5.570 1.00 0.00 C ATOM 1321 CE LYS A 87 10.685 -7.296 5.993 1.00 0.00 C ATOM 1322 NZ LYS A 87 11.086 -6.611 7.242 1.00 0.00 N ATOM 0 H LYS A 87 6.651 -8.213 3.375 1.00 0.00 H new ATOM 0 HA LYS A 87 6.034 -9.487 5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.723 -6.626 5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.672 -7.337 6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.569 -8.707 6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.395 -8.619 4.688 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.313 -6.444 4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.926 -6.071 6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.709 -8.376 6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.397 -7.066 5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.042 -6.918 7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.083 -5.582 7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.416 -6.851 8.000 1.00 0.00 H new ATOM 1336 N PHE A 88 3.930 -7.403 4.511 1.00 0.00 N ATOM 1337 CA PHE A 88 2.555 -6.937 4.549 1.00 0.00 C ATOM 1338 C PHE A 88 1.584 -8.063 4.185 1.00 0.00 C ATOM 1339 O PHE A 88 0.542 -8.218 4.820 1.00 0.00 O ATOM 1340 CB PHE A 88 2.432 -5.819 3.511 1.00 0.00 C ATOM 1341 CG PHE A 88 2.455 -4.411 4.109 1.00 0.00 C ATOM 1342 CD1 PHE A 88 3.381 -4.087 5.051 1.00 0.00 C ATOM 1343 CD2 PHE A 88 1.550 -3.483 3.698 1.00 0.00 C ATOM 1344 CE1 PHE A 88 3.403 -2.779 5.605 1.00 0.00 C ATOM 1345 CE2 PHE A 88 1.571 -2.176 4.252 1.00 0.00 C ATOM 1346 CZ PHE A 88 2.497 -1.851 5.194 1.00 0.00 C ATOM 0 H PHE A 88 4.472 -7.067 3.715 1.00 0.00 H new ATOM 0 HA PHE A 88 2.308 -6.590 5.552 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.247 -5.912 2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.503 -5.952 2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.100 -4.824 5.378 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.815 -3.740 2.950 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.139 -2.521 6.352 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.852 -1.440 3.925 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.513 -0.857 5.615 1.00 0.00 H new ATOM 1356 N GLU A 89 1.961 -8.818 3.164 1.00 0.00 N ATOM 1357 CA GLU A 89 1.137 -9.925 2.708 1.00 0.00 C ATOM 1358 C GLU A 89 1.187 -11.075 3.717 1.00 0.00 C ATOM 1359 O GLU A 89 0.308 -11.935 3.727 1.00 0.00 O ATOM 1360 CB GLU A 89 1.570 -10.395 1.319 1.00 0.00 C ATOM 1361 CG GLU A 89 2.717 -11.404 1.414 1.00 0.00 C ATOM 1362 CD GLU A 89 2.190 -12.840 1.364 1.00 0.00 C ATOM 1363 OE1 GLU A 89 1.583 -13.185 0.327 1.00 0.00 O ATOM 1364 OE2 GLU A 89 2.406 -13.559 2.363 1.00 0.00 O ATOM 0 H GLU A 89 2.826 -8.685 2.640 1.00 0.00 H new ATOM 0 HA GLU A 89 0.106 -9.578 2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.723 -10.849 0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.883 -9.538 0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.418 -11.241 0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.268 -11.247 2.341 1.00 0.00 H new ATOM 1371 N ALA A 90 2.225 -11.053 4.540 1.00 0.00 N ATOM 1372 CA ALA A 90 2.402 -12.083 5.550 1.00 0.00 C ATOM 1373 C ALA A 90 1.665 -11.671 6.826 1.00 0.00 C ATOM 1374 O ALA A 90 1.508 -12.475 7.743 1.00 0.00 O ATOM 1375 CB ALA A 90 3.895 -12.314 5.788 1.00 0.00 C ATOM 0 H ALA A 90 2.952 -10.338 4.528 1.00 0.00 H new ATOM 0 HA ALA A 90 1.976 -13.028 5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.027 -13.086 6.546 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.367 -12.633 4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.357 -11.388 6.130 1.00 0.00 H new ATOM 1381 N LYS A 91 1.232 -10.419 6.844 1.00 0.00 N ATOM 1382 CA LYS A 91 0.516 -9.891 7.992 1.00 0.00 C ATOM 1383 C LYS A 91 -0.855 -9.382 7.543 1.00 0.00 C ATOM 1384 O LYS A 91 -1.881 -9.967 7.887 1.00 0.00 O ATOM 1385 CB LYS A 91 1.358 -8.834 8.710 1.00 0.00 C ATOM 1386 CG LYS A 91 2.153 -9.456 9.860 1.00 0.00 C ATOM 1387 CD LYS A 91 1.713 -8.877 11.206 1.00 0.00 C ATOM 1388 CE LYS A 91 2.771 -7.923 11.765 1.00 0.00 C ATOM 1389 NZ LYS A 91 2.128 -6.774 12.441 1.00 0.00 N ATOM 0 H LYS A 91 1.364 -9.755 6.081 1.00 0.00 H new ATOM 0 HA LYS A 91 0.341 -10.678 8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.042 -8.366 8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.710 -8.047 9.095 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.012 -10.537 9.861 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.217 -9.273 9.712 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.768 -8.348 11.087 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.538 -9.687 11.914 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.412 -8.454 12.468 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.410 -7.566 10.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.860 -6.137 12.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.535 -6.258 11.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.537 -7.118 13.224 1.00 0.00 H new ATOM 1403 N TYR A 92 -0.829 -8.299 6.781 1.00 0.00 N ATOM 1404 CA TYR A 92 -2.057 -7.705 6.281 1.00 0.00 C ATOM 1405 C TYR A 92 -2.741 -8.629 5.270 1.00 0.00 C ATOM 1406 O TYR A 92 -2.078 -9.233 4.429 1.00 0.00 O ATOM 1407 CB TYR A 92 -1.643 -6.413 5.573 1.00 0.00 C ATOM 1408 CG TYR A 92 -1.204 -5.297 6.523 1.00 0.00 C ATOM 1409 CD1 TYR A 92 -1.921 -5.050 7.677 1.00 0.00 C ATOM 1410 CD2 TYR A 92 -0.091 -4.537 6.227 1.00 0.00 C ATOM 1411 CE1 TYR A 92 -1.507 -4.000 8.571 1.00 0.00 C ATOM 1412 CE2 TYR A 92 0.323 -3.487 7.121 1.00 0.00 C ATOM 1413 CZ TYR A 92 -0.405 -3.270 8.249 1.00 0.00 C ATOM 1414 OH TYR A 92 -0.015 -2.278 9.093 1.00 0.00 O ATOM 0 H TYR A 92 0.024 -7.817 6.497 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.758 -7.529 7.097 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.826 -6.633 4.885 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.479 -6.056 4.971 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.792 -5.644 7.909 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.470 -4.730 5.324 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.059 -3.796 9.477 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.192 -2.885 6.901 1.00 0.00 H new ATOM 0 HH TYR A 92 0.787 -1.842 8.737 1.00 0.00 H new ATOM 1424 N PRO A 93 -4.093 -8.711 5.391 1.00 0.00 N ATOM 1425 CA PRO A 93 -4.874 -9.551 4.499 1.00 0.00 C ATOM 1426 C PRO A 93 -5.001 -8.911 3.115 1.00 0.00 C ATOM 1427 O PRO A 93 -5.238 -7.709 3.002 1.00 0.00 O ATOM 1428 CB PRO A 93 -6.212 -9.729 5.197 1.00 0.00 C ATOM 1429 CG PRO A 93 -6.299 -8.611 6.223 1.00 0.00 C ATOM 1430 CD PRO A 93 -4.911 -8.010 6.376 1.00 0.00 C ATOM 0 HA PRO A 93 -4.406 -10.518 4.314 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.035 -9.670 4.485 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.275 -10.706 5.677 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.011 -7.851 5.900 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.656 -8.996 7.178 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.922 -6.936 6.190 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.526 -8.154 7.385 1.00 0.00 H new ATOM 1438 N VAL A 94 -4.840 -9.742 2.096 1.00 0.00 N ATOM 1439 CA VAL A 94 -4.934 -9.272 0.724 1.00 0.00 C ATOM 1440 C VAL A 94 -6.376 -9.422 0.237 1.00 0.00 C ATOM 1441 O VAL A 94 -6.838 -10.533 -0.016 1.00 0.00 O ATOM 1442 CB VAL A 94 -3.926 -10.016 -0.154 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -3.863 -9.405 -1.555 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -2.542 -10.037 0.498 1.00 0.00 C ATOM 0 H VAL A 94 -4.645 -10.738 2.193 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.678 -8.214 0.664 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.265 -11.047 -0.254 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.139 -9.953 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.846 -9.466 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.559 -8.361 -1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.844 -10.572 -0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.192 -9.015 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.602 -10.539 1.463 1.00 0.00 H new ATOM 1454 N VAL A 95 -7.048 -8.286 0.119 1.00 0.00 N ATOM 1455 CA VAL A 95 -8.428 -8.276 -0.334 1.00 0.00 C ATOM 1456 C VAL A 95 -8.459 -8.314 -1.864 1.00 0.00 C ATOM 1457 O VAL A 95 -9.514 -8.517 -2.462 1.00 0.00 O ATOM 1458 CB VAL A 95 -9.162 -7.067 0.249 1.00 0.00 C ATOM 1459 CG1 VAL A 95 -9.131 -7.092 1.778 1.00 0.00 C ATOM 1460 CG2 VAL A 95 -8.578 -5.759 -0.290 1.00 0.00 C ATOM 0 H VAL A 95 -6.662 -7.366 0.330 1.00 0.00 H new ATOM 0 HA VAL A 95 -8.953 -9.161 0.024 1.00 0.00 H new ATOM 0 HB VAL A 95 -10.204 -7.124 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.660 -6.222 2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.614 -8.001 2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.097 -7.072 2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -9.118 -4.915 0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.524 -5.692 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.676 -5.737 -1.375 1.00 0.00 H new ATOM 1470 N GLY A 96 -7.289 -8.115 -2.452 1.00 0.00 N ATOM 1471 CA GLY A 96 -7.168 -8.123 -3.900 1.00 0.00 C ATOM 1472 C GLY A 96 -5.863 -7.460 -4.346 1.00 0.00 C ATOM 1473 O GLY A 96 -5.019 -7.124 -3.517 1.00 0.00 O ATOM 0 H GLY A 96 -6.416 -7.947 -1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.202 -9.149 -4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.016 -7.599 -4.342 1.00 0.00 H new ATOM 1477 N ARG A 97 -5.739 -7.292 -5.654 1.00 0.00 N ATOM 1478 CA ARG A 97 -4.551 -6.675 -6.220 1.00 0.00 C ATOM 1479 C ARG A 97 -4.929 -5.417 -7.005 1.00 0.00 C ATOM 1480 O ARG A 97 -5.952 -5.391 -7.687 1.00 0.00 O ATOM 1481 CB ARG A 97 -3.816 -7.645 -7.147 1.00 0.00 C ATOM 1482 CG ARG A 97 -4.588 -7.848 -8.452 1.00 0.00 C ATOM 1483 CD ARG A 97 -3.815 -7.275 -9.641 1.00 0.00 C ATOM 1484 NE ARG A 97 -4.391 -7.778 -10.909 1.00 0.00 N ATOM 1485 CZ ARG A 97 -3.869 -7.535 -12.119 1.00 0.00 C ATOM 1486 NH1 ARG A 97 -2.758 -6.796 -12.234 1.00 0.00 N ATOM 1487 NH2 ARG A 97 -4.459 -8.033 -13.214 1.00 0.00 N ATOM 0 H ARG A 97 -6.441 -7.572 -6.338 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.891 -6.408 -5.395 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.820 -7.260 -7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.684 -8.604 -6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.769 -8.911 -8.610 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.563 -7.366 -8.381 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -3.855 -6.186 -9.621 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.764 -7.557 -9.572 1.00 0.00 H new ATOM 0 HE ARG A 97 -5.238 -8.345 -10.858 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -2.309 -6.418 -11.400 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -2.361 -6.612 -13.155 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.305 -8.596 -13.126 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.063 -7.849 -14.136 1.00 0.00 H new ATOM 1501 N VAL A 98 -4.083 -4.405 -6.882 1.00 0.00 N ATOM 1502 CA VAL A 98 -4.315 -3.147 -7.571 1.00 0.00 C ATOM 1503 C VAL A 98 -4.401 -3.405 -9.077 1.00 0.00 C ATOM 1504 O VAL A 98 -3.513 -4.029 -9.656 1.00 0.00 O ATOM 1505 CB VAL A 98 -3.228 -2.138 -7.199 1.00 0.00 C ATOM 1506 CG1 VAL A 98 -3.146 -1.014 -8.233 1.00 0.00 C ATOM 1507 CG2 VAL A 98 -3.460 -1.575 -5.795 1.00 0.00 C ATOM 0 H VAL A 98 -3.235 -4.431 -6.315 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.264 -2.710 -7.260 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.272 -2.661 -7.197 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.365 -0.310 -7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.912 -1.435 -9.211 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.103 -0.494 -8.282 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.673 -0.860 -5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.428 -1.075 -5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.445 -2.388 -5.070 1.00 0.00 H new ATOM 1517 N VAL A 99 -5.479 -2.911 -9.669 1.00 0.00 N ATOM 1518 CA VAL A 99 -5.693 -3.079 -11.096 1.00 0.00 C ATOM 1519 C VAL A 99 -5.562 -1.723 -11.791 1.00 0.00 C ATOM 1520 O VAL A 99 -4.478 -1.352 -12.238 1.00 0.00 O ATOM 1521 CB VAL A 99 -7.044 -3.752 -11.347 1.00 0.00 C ATOM 1522 CG1 VAL A 99 -6.874 -5.255 -11.574 1.00 0.00 C ATOM 1523 CG2 VAL A 99 -8.015 -3.477 -10.197 1.00 0.00 C ATOM 0 H VAL A 99 -6.214 -2.394 -9.186 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.934 -3.736 -11.521 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.469 -3.323 -12.254 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.849 -5.709 -11.750 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.234 -5.422 -12.441 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.417 -5.707 -10.693 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.968 -3.966 -10.400 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.598 -3.866 -9.268 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.172 -2.403 -10.102 1.00 0.00 H new ATOM 1533 N SER A 100 -6.683 -1.019 -11.860 1.00 0.00 N ATOM 1534 CA SER A 100 -6.707 0.289 -12.492 1.00 0.00 C ATOM 1535 C SER A 100 -6.885 0.136 -14.004 1.00 0.00 C ATOM 1536 O SER A 100 -7.996 0.264 -14.518 1.00 0.00 O ATOM 1537 CB SER A 100 -5.430 1.073 -12.185 1.00 0.00 C ATOM 1538 OG SER A 100 -5.631 2.481 -12.281 1.00 0.00 O ATOM 0 H SER A 100 -7.581 -1.330 -11.489 1.00 0.00 H new ATOM 0 HA SER A 100 -7.550 0.849 -12.088 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.084 0.824 -11.182 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.644 0.771 -12.877 1.00 0.00 H new ATOM 0 HG SER A 100 -4.793 2.946 -12.076 1.00 0.00 H new